NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4356 8.1627 118.3245 55.3540 33.4068 173.1564 2 Q 4.8452 8.1948 120.1936 52.6925 31.2453 172.6597 3 I 4.3849 8.9228 119.6527 59.0813 42.2565 173.3725 4 F 5.4882 8.8245 121.2905 55.7729 42.2236 174.9378 5 V 4.9111 9.2738 121.7955 61.1773 34.2157 174.3135 6 K 5.3093 9.0241 127.5843 54.6019 35.3266 176.4916 7 T 4.6832 8.5193 113.7178 60.6570 69.4921 175.4338 8 L 4.1519 8.3549 120.8871 56.6850 41.4798 178.0254 9 T 4.2434 7.6737 114.7008 63.4285 68.9862 175.1018 10 G 4.0603 8.3865 110.1833 44.9681 0.0000 174.5462 11 K 3.9737 7.9882 118.7546 57.4845 33.0642 175.9565 12 T 5.1609 8.5324 120.3029 61.7829 71.5629 173.3009 13 I 4.5389 9.1509 126.9479 59.8826 39.8882 174.5305 14 T 5.0576 8.6353 123.6786 62.0822 70.1581 174.1056 15 L 4.8256 8.6665 125.4291 52.8049 45.9561 175.0694 16 E 4.7395 8.6859 122.9620 55.1948 30.6117 175.1036 17 V 4.7582 8.7898 120.1047 59.8346 36.1735 174.4391 18 E 4.7114 9.3633 119.3199 54.1666 33.2797 175.7477 19 P 4.1502 0.0000 0.0000 65.7274 31.5302 178.2870 20 S 4.3915 7.8895 109.9027 59.0085 63.7877 174.1445 21 D 4.3929 8.1642 123.8110 54.6288 41.1084 176.4834 22 T 4.8014 8.2533 114.2560 61.2473 71.3427 175.8143 23 I 3.7340 8.5151 122.2289 64.3131 36.9153 178.4517 24 E 3.9170 8.1841 120.1906 59.4229 29.5294 178.3463 25 N 4.2716 7.9930 116.0853 56.6323 38.5304 177.4722 26 V 3.5912 7.5527 118.9419 66.0117 31.5622 178.3094 27 K 4.5973 8.4583 119.3629 58.8085 31.8285 179.2737 28 A 3.9801 8.4487 121.7198 55.0365 18.3240 179.8168 29 K 4.1014 8.1542 117.0223 59.7212 32.1375 179.6633 30 I 3.7356 8.1017 120.4357 64.2487 36.9047 178.2445 31 Q 4.1093 8.2413 121.9389 58.8879 28.7110 177.9513 32 D 4.3452 8.3615 118.8377 57.1866 40.8979 178.4043 33 K 4.3406 7.9193 117.2100 57.2410 32.5610 177.1891 34 E 4.5018 8.6932 116.2564 54.9237 31.3798 177.4820 35 G 3.9479 8.3975 106.8461 45.4424 0.0000 173.5523 36 I 4.0585 7.1391 121.7565 59.4656 37.5374 173.9348 37 P 4.4661 0.0000 0.0000 61.7955 32.1293 175.6123 38 P 4.2705 0.0000 0.0000 65.8750 31.3728 178.3241 39 D 4.4279 8.0422 115.6947 55.5808 39.6690 176.7467 40 Q 4.3255 8.2606 118.1193 56.0906 29.5709 174.4721 41 Q 4.8514 8.0396 119.0918 54.1451 31.0072 174.3916 42 R 4.8315 8.9374 124.9730 54.5348 32.5473 174.3741 43 L 5.1839 8.4656 125.8301 53.2581 44.6355 175.4406 44 I 5.1070 8.8393 123.1181 59.5980 41.3549 174.0904 45 F 5.0352 8.7980 128.3409 56.7413 42.6912 174.5827 46 A 3.4918 8.7854 128.1652 53.1337 15.8474 178.0622 47 G 3.9087 8.1454 106.6428 46.5545 0.0000 174.0841 48 K 4.4308 7.6653 120.4181 54.5681 33.3747 175.8645 49 Q 4.5438 8.5948 123.1909 56.1882 29.1938 175.7938 50 L 4.0403 8.6645 125.5202 53.9459 42.7785 176.4024 51 E 4.3667 9.4555 124.3450 55.5736 30.7470 177.2565 52 D 4.3858 9.2195 124.2912 57.7049 41.0252 179.0331 53 G 3.7884 7.9994 104.7536 46.8541 0.0000 173.7303 54 R 4.3479 7.9547 120.0218 55.4298 31.7458 175.6800 55 T 5.0092 8.3565 109.8351 59.9276 71.1307 176.0839 56 L 4.1549 8.7294 122.4342 58.0343 41.8651 180.3139 57 S 4.1583 8.3289 113.3206 61.3001 62.9996 176.1684 58 D 4.1785 7.8164 120.1254 56.8325 40.5422 176.7718 59 Y 4.5620 7.3727 113.0655 56.9925 38.0362 175.0877 60 N 4.2305 8.2119 116.0518 54.1414 36.8292 174.2199 61 I 3.5854 7.7869 119.2038 60.9494 37.7012 175.5272 62 Q 4.7465 8.0969 124.7450 53.1359 31.9727 174.6302 63 K 4.0797 8.3276 117.3814 59.1566 32.5411 176.8726 64 E 3.6610 9.6217 121.6602 56.3673 28.0291 174.9518 65 S 4.4473 7.6819 115.6432 59.0035 64.3093 173.4114 66 T 5.1852 8.6328 118.8711 62.1342 70.1800 173.8338 67 L 4.8530 9.0553 127.4281 53.9663 44.1634 175.4604 68 H 5.3071 9.4468 119.5252 54.5912 30.8396 173.7723 69 L 5.1286 8.8961 125.2342 53.5478 44.1633 175.5411 70 V 4.7196 8.7118 118.3852 59.2127 36.3632 174.8738 71 L 4.4744 8.5661 123.0769 54.9673 42.3652 176.4206 72 R 4.4769 8.7388 124.8425 54.8198 30.9059 175.9459 73 L 4.4993 8.4205 126.3302 53.6528 43.2947 177.0564 74 R 4.1383 8.3317 118.1235 56.6971 30.1193 176.8045 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 4.44 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.62 0.00 2 Q 8.19 4.85 0.00 2.10 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 1.71 2.18 0.00 3 I 8.92 4.38 1.81 0.00 0.00 0.76 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 0.65 0.78 0.00 0.00 4 F 8.82 5.49 0.00 3.04 2.92 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 5 V 9.27 4.91 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 0.94 0.00 0.00 6 K 9.02 5.31 0.00 1.78 1.69 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.36 1.40 7.81 7 T 8.52 4.68 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 1.23 0.00 0.00 8 L 8.35 4.15 0.00 1.63 1.71 0.87 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.67 4.24 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 1.21 0.00 0.00 10 G 8.39 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 11 K 7.99 3.97 0.00 1.73 1.78 0.00 1.61 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.54 1.50 7.81 12 T 8.53 5.16 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 1.24 0.00 0.00 13 I 9.15 4.54 1.91 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 1.40 0.92 0.99 0.00 0.00 14 T 8.64 5.06 4.32 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 1.30 0.00 0.00 15 L 8.67 4.83 0.00 1.50 1.47 0.90 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.69 4.74 0.00 1.94 1.83 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 2.18 2.28 0.00 17 V 8.79 4.76 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 0.69 0.00 0.00 0.90 0.00 0.00 18 E 9.36 4.71 0.00 1.81 1.75 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 2.19 2.23 0.00 19 P 0.00 4.15 0.00 2.15 2.10 0.00 3.56 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 20 S 7.89 4.39 0.00 3.97 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 21 D 8.16 4.39 0.00 2.81 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 22 T 8.25 4.80 4.55 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 0.00 0.00 0.00 1.22 0.00 0.00 23 I 8.52 3.73 2.17 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 1.78 1.08 0.90 0.00 0.00 24 E 8.18 3.92 0.00 2.12 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 2.31 2.40 0.00 25 N 7.99 4.27 0.00 3.01 2.87 0.00 0.00 6.71 6.96 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 26 V 7.55 3.59 2.22 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 1.10 0.00 0.00 0.96 0.00 0.00 27 K 8.46 4.60 0.00 2.01 1.84 0.00 1.73 0.00 0.00 1.93 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.63 1.48 7.81 28 A 8.45 3.98 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 8.15 4.10 0.00 2.01 1.86 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.64 7.81 30 I 8.10 3.74 2.15 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 1.41 0.68 0.92 0.00 0.00 31 Q 8.24 4.11 0.00 2.27 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 32 D 8.36 4.35 0.00 2.82 2.73 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 33 K 7.92 4.34 0.00 1.80 1.86 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.61 7.81 34 E 8.69 4.50 0.00 1.96 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 2.32 2.36 0.00 35 G 8.40 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 0.00 0.00 0.00 36 I 7.14 4.06 1.88 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 1.30 1.29 0.91 0.00 0.00 37 P 0.00 4.47 0.00 2.36 1.97 0.00 3.62 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.11 0.00 38 P 0.00 4.27 0.00 2.17 2.22 0.00 3.60 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 2.12 2.10 0.00 39 D 8.04 4.43 0.00 2.78 2.81 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 40 Q 8.26 4.33 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 41 Q 8.04 4.85 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.50 0.00 42 R 8.94 4.83 0.00 1.85 1.92 0.00 3.06 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 43 L 8.47 5.18 0.00 1.59 1.51 0.90 0.79 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 44 I 8.84 5.11 1.93 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 1.11 0.91 0.97 0.00 0.00 45 F 8.80 5.04 0.00 2.97 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 46 A 8.79 3.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.15 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.67 4.43 0.00 2.03 1.76 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.41 7.81 49 Q 8.59 4.54 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 50 L 8.66 4.04 0.00 1.34 1.25 0.75 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.46 4.37 0.00 2.06 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 0.00 2.36 2.40 0.00 52 D 9.22 4.39 0.00 2.76 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 3.79 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 0.00 0.00 0.00 54 R 7.95 4.35 0.00 2.09 1.70 0.00 3.22 0.00 0.00 2.97 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 55 T 8.36 5.01 4.44 0.00 0.00 0.00 0.00 0.00 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 56 L 8.73 4.15 0.00 1.87 1.72 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.33 4.16 0.00 3.98 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 58 D 7.82 4.18 0.00 2.69 2.42 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 59 Y 7.37 4.56 0.00 3.17 3.05 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 60 N 8.21 4.23 0.00 2.97 2.98 0.00 0.00 6.94 8.20 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 61 I 7.79 3.59 1.83 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.10 0.13 0.57 0.00 0.00 62 Q 8.10 4.75 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.95 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 63 K 8.33 4.08 0.00 1.79 1.78 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.46 7.81 64 E 9.62 3.66 0.00 1.99 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.52 0.00 65 S 7.68 4.45 0.00 3.59 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 8.63 5.19 4.35 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 1.25 0.00 0.00 67 L 9.06 4.85 0.00 1.58 1.60 0.84 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.45 5.31 0.00 3.19 3.19 0.00 5.58 0.00 0.00 0.00 0.00 6.78 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 5.13 0.00 1.76 1.53 0.98 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.71 4.72 2.07 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 0.68 0.00 0.00 0.99 0.00 0.00 71 L 8.57 4.47 0.00 1.51 1.60 0.92 0.86 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 72 R 8.74 4.48 0.00 1.77 1.95 0.00 3.25 0.00 0.00 3.35 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 73 L 8.42 4.50 0.00 1.65 1.57 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.33 4.14 0.00 1.80 1.84 0.00 3.24 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00