NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5345 8.1627 118.3329 55.2438 33.2612 173.0143 2 Q 4.9177 8.4425 118.1286 53.1376 32.5514 173.7382 3 I 4.7917 9.0167 118.4597 59.7299 41.9556 173.0831 4 F 4.9029 9.4420 123.2073 56.3757 41.5025 175.3429 5 V 4.8868 8.3617 114.7490 59.5918 35.5815 174.3332 6 K 5.3617 8.8511 126.0235 53.9552 35.1986 175.0720 7 T 5.3204 8.1860 120.6550 59.2176 70.2392 174.7210 8 L 4.0134 8.6071 122.8757 57.8072 41.9195 178.8603 9 T 3.9556 7.8551 107.4706 62.4019 68.6867 176.1010 10 G 4.0872 8.2775 111.1356 45.3784 0.0000 174.2664 11 K 4.1075 7.4732 119.3303 56.7763 32.4942 176.2180 12 T 5.3882 8.5711 119.0142 60.7166 71.8361 173.1543 13 I 4.7358 7.9865 118.5472 59.5356 41.3142 173.7798 14 T 4.0810 8.1917 115.0277 61.2114 69.6856 174.2650 15 L 4.5627 8.8224 126.8824 53.3951 44.4900 175.1145 16 E 5.2855 8.4067 119.6795 54.6995 31.6344 176.0420 17 V 4.5203 8.1460 122.4703 60.6778 34.9316 173.7477 18 E 4.4257 8.8498 121.5169 54.8452 30.8172 176.0882 19 P 4.4129 0.0000 0.0000 65.0102 31.6754 177.9969 20 S 4.5114 7.8041 113.5584 59.2964 63.6976 173.8072 21 D 4.5945 7.6277 120.2498 54.7621 41.3130 175.1653 22 T 4.9035 7.9652 115.5315 61.4728 71.4389 175.6802 23 I 3.4587 8.2773 125.3100 64.4785 36.8230 178.3689 24 E 3.9868 8.0943 119.0407 58.6894 29.8174 177.9449 25 N 4.5416 8.8231 117.5673 55.9789 38.9426 177.5923 26 V 3.7398 7.8420 119.9964 65.1262 30.6920 178.3200 27 K 4.0235 7.9535 118.6027 59.0328 31.3289 179.0422 28 A 4.5144 8.3654 122.8981 54.0094 18.3282 179.8525 29 K 3.9492 7.7886 116.7524 59.4379 32.4482 179.0977 30 I 3.6689 8.1208 119.6078 64.0526 37.7506 177.9141 31 Q 4.4948 7.7407 119.3242 59.1315 28.2441 178.0964 32 D 4.3453 7.6164 118.3261 56.6752 41.2337 177.7723 33 K 4.0498 7.8781 120.0105 59.4598 32.3837 178.3134 34 E 4.1849 8.2349 118.7759 57.7672 29.7959 178.0729 35 G 4.0644 8.7194 106.2724 45.0568 0.0000 174.0071 36 I 3.8301 7.6296 121.8954 60.3206 37.3760 174.0963 37 P 4.7697 0.0000 0.0000 61.6448 32.2837 175.5630 38 P 4.3198 0.0000 0.0000 65.8698 31.5768 178.2802 39 D 4.3770 8.2214 117.9068 57.1347 41.0005 177.3822 40 Q 4.2665 7.7694 115.2781 56.6022 29.4297 175.1217 41 Q 4.5280 7.6761 120.2837 55.7459 29.5933 175.0762 42 R 4.7598 8.3619 124.7436 54.8138 34.2368 173.3544 43 L 4.9539 8.4778 122.9842 53.0608 44.9691 175.5589 44 I 4.7499 8.4613 123.9341 59.7811 41.6722 174.9510 45 F 4.4663 9.0444 125.5891 57.8387 42.6412 173.7063 46 A 3.6793 9.3187 129.4318 52.9588 16.0684 176.5164 47 G 3.8181 8.4254 103.7099 47.7650 0.0000 174.2751 48 K 4.5013 8.6008 119.5167 53.9704 34.3868 175.3056 49 Q 4.5086 8.6225 125.9526 55.6295 29.8366 175.1570 50 L 4.1496 7.9456 126.5365 54.3957 42.3916 176.7493 51 E 4.3795 8.7034 123.2516 55.8264 30.1163 176.8932 52 D 4.4291 8.9658 122.2757 57.1000 41.5917 178.0917 53 G 4.0252 7.7459 109.0431 43.5730 0.0000 172.8433 54 R 4.6504 7.3233 118.7906 55.1098 35.0665 174.8961 55 T 5.1449 7.9836 110.1413 59.3293 70.9830 175.5162 56 L 3.9993 8.6648 123.7908 58.4861 41.7569 179.8999 57 S 4.1149 7.7273 111.2383 61.2135 61.9391 175.7699 58 D 4.2029 7.8930 120.4018 57.3552 41.1175 177.1959 59 Y 4.2593 7.5613 113.7245 57.5267 39.1982 174.8992 60 N 4.1821 7.6192 116.8264 54.4486 36.5940 174.6853 61 I 3.7643 7.5197 115.3406 61.2120 38.2905 178.0373 62 Q 3.3476 7.6769 119.2442 55.8019 27.6777 172.5763 63 K 4.4459 8.3567 116.3511 55.9155 34.2403 175.6056 64 E 3.9936 8.1003 116.8664 57.9351 27.4200 174.4994 65 S 4.8657 7.7996 111.9122 57.1853 66.9554 173.9238 66 T 5.0585 8.4821 116.1869 61.9654 70.6374 173.7935 67 L 4.6611 8.9974 127.6927 53.9915 44.0202 175.9471 68 H 4.8228 8.7587 123.7774 55.1867 30.8882 173.7870 69 L 5.0234 8.8971 127.3349 53.1860 42.8707 176.3428 70 V 4.5750 8.1330 121.8792 61.0192 35.3350 173.7930 71 L 4.8588 8.4641 126.5245 53.7644 42.8168 177.2910 72 R 4.3354 8.3877 124.7701 54.8783 29.1194 174.5538 73 L 4.2188 8.0416 121.6376 54.0208 41.6607 176.9535 74 R 3.8354 8.4284 125.6425 56.5972 30.6174 176.0034 75 G 3.8242 8.0358 113.5240 46.6343 0.0000 173.0281 76 G 3.7274 8.2352 112.5680 45.6739 0.0000 171.6095 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 8.16 4.53 0.00 2.12 2.33 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 2.59 2.62 0.00 2 Q 8.44 4.92 0.00 2.22 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.65 0.00 0.00 0.00 0.00 0.00 2.17 2.25 0.00 3 I 9.02 4.79 1.91 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 1.20 0.73 0.93 0.00 0.00 4 F 9.44 4.90 0.00 3.24 3.10 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 0.00 0.00 0.00 5 V 8.36 4.89 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 0.89 0.00 0.00 1.01 0.00 0.00 6 K 8.85 5.36 0.00 1.90 1.68 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.22 7.81 7 T 8.19 5.32 4.24 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 1.25 0.00 0.00 8 L 8.61 4.01 0.00 1.68 1.74 0.95 0.91 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 9 T 7.86 3.96 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 1.21 0.00 0.00 10 G 8.28 4.09 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 0.00 0.00 0.00 11 K 7.47 4.11 0.00 1.87 1.77 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.56 7.81 12 T 8.57 5.39 4.31 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 1.39 0.00 0.00 13 I 7.99 4.74 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.71 0.90 0.00 0.00 14 T 8.19 4.08 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 -0.48 0.00 0.00 15 L 8.82 4.56 0.00 1.55 1.57 0.88 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.41 5.29 0.00 1.77 1.81 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 2.13 2.17 0.00 17 V 8.15 4.52 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.99 0.00 0.00 18 E 8.85 4.43 0.00 2.27 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 0.00 2.36 2.28 0.00 19 P 0.00 4.41 0.00 2.21 2.30 0.00 3.68 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 20 S 7.80 4.51 0.00 3.87 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 21 D 7.63 4.59 0.00 3.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 4.90 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 1.29 0.00 0.00 23 I 8.28 3.46 2.05 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.33 0.91 0.00 0.00 24 E 8.09 3.99 0.00 2.15 1.98 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 2.29 2.40 0.00 25 N 8.82 4.54 0.00 2.80 2.83 0.00 0.00 6.87 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.84 3.74 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 1.15 0.00 0.00 0.92 0.00 0.00 27 K 7.95 4.02 0.00 1.98 1.90 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.45 1.58 7.81 28 A 8.37 4.51 1.36 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 0.00 0.00 0.00 29 K 7.79 3.95 0.00 1.93 1.84 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.48 7.81 30 I 8.12 3.67 1.86 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 1.78 1.34 1.02 0.00 0.00 31 Q 7.74 4.49 0.00 2.39 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.57 0.00 0.00 0.00 0.00 0.00 2.48 2.23 0.00 32 D 7.62 4.35 0.00 2.83 2.84 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 33 K 7.88 4.05 0.00 1.87 1.93 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.50 7.81 34 E 8.23 4.18 0.00 1.99 1.98 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 2.33 2.31 0.00 35 G 8.72 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.63 3.83 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 1.47 1.10 0.91 0.00 0.00 37 P 0.00 4.77 0.00 2.21 2.17 0.00 3.69 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 38 P 0.00 4.32 0.00 2.24 2.46 0.00 3.71 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 39 D 8.22 4.38 0.00 2.66 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 Q 7.77 4.27 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 7.01 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 41 Q 7.68 4.53 0.00 2.24 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.65 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 42 R 8.36 4.76 0.00 1.71 1.84 0.00 3.07 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 43 L 8.48 4.95 0.00 1.55 1.46 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.46 4.75 2.05 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.14 0.96 0.00 0.00 45 F 9.04 4.47 0.00 2.97 2.85 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 46 A 9.32 3.68 1.05 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 0.00 0.00 0.00 47 G 8.43 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 48 K 8.60 4.50 0.00 1.91 1.77 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.62 1.59 7.81 49 Q 8.62 4.51 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.93 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 50 L 7.95 4.15 0.00 1.44 1.48 0.75 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.70 4.38 0.00 1.92 1.93 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 2.47 2.52 0.00 52 D 8.97 4.43 0.00 2.68 2.74 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 0.00 0.00 0.00 53 G 7.75 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 54 R 7.32 4.65 0.00 2.15 1.82 0.00 2.99 0.00 0.00 3.12 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 55 T 7.98 5.14 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 1.28 0.00 0.00 56 L 8.66 4.00 0.00 1.85 1.78 0.91 0.80 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 57 S 7.73 4.11 0.00 3.93 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 58 D 7.89 4.20 0.00 2.55 2.43 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 59 Y 7.56 4.26 0.00 2.94 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 60 N 7.62 4.18 0.00 2.84 2.91 0.00 0.00 6.89 7.21 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 61 I 7.52 3.76 1.77 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.44 0.57 0.00 0.00 62 Q 7.68 3.35 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.99 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 63 K 8.36 4.45 0.00 1.76 1.78 0.00 1.92 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.55 1.46 7.81 64 E 8.10 3.99 0.00 2.14 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 2.43 2.32 0.00 65 S 7.80 4.87 0.00 3.94 4.17 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 0.00 0.00 0.00 0.00 66 T 8.48 5.06 4.31 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 1.28 0.00 0.00 67 L 9.00 4.66 0.00 1.64 1.62 0.91 1.00 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 68 H 8.76 4.82 0.00 3.18 3.39 0.00 5.59 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.90 5.02 0.00 1.66 1.54 0.94 0.60 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 70 V 8.13 4.57 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 1.00 0.00 0.00 0.72 0.00 0.00 71 L 8.46 4.86 0.00 1.56 1.58 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.39 4.34 0.00 1.86 1.89 0.00 3.15 0.00 0.00 3.22 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 73 L 8.04 4.22 0.00 1.64 1.63 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.43 3.84 0.00 1.75 1.88 0.00 3.43 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 75 G 8.04 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 76 G 8.24 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