NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.2706 0.0000 0.0000 61.3446 32.8258 177.8579 4 R 4.3626 7.7122 114.6509 54.0248 31.9806 172.2082 5 P 4.1309 0.0000 0.0000 65.2944 32.5618 177.5446 6 L 3.8556 7.9209 117.2891 57.5238 41.4221 179.2645 7 D 4.3058 8.6025 119.4651 57.4488 40.5962 178.7829 8 V 3.5357 7.7108 116.7602 65.9408 31.4897 177.2539 9 L 3.9704 7.2642 118.8538 57.9536 42.1786 178.1892 10 N 4.7469 7.8556 116.8830 56.8265 38.7204 177.3582 11 R 4.2758 7.8141 113.7846 57.0666 30.0789 177.2401 12 S 4.7405 8.5634 112.0762 56.3527 65.4415 174.0887 13 L 4.2765 7.7720 120.6712 56.3393 41.7241 177.9319 14 K 4.0725 9.3977 121.3370 56.5223 31.1799 176.3823 15 S 4.8973 7.8651 114.2797 55.8965 65.8065 171.6893 16 P 4.8559 0.0000 0.0000 63.0403 32.6856 175.6234 17 V 4.8372 9.2277 115.2227 59.9109 36.8672 174.1041 18 I 4.8593 9.2869 123.9436 59.7668 39.6165 174.9491 19 V 4.5686 8.9064 128.2305 61.1147 33.6899 174.1938 20 R 4.4056 8.4610 130.2418 55.2307 30.8079 176.0643 21 L 4.8461 8.2098 126.1405 53.4001 44.2490 175.7827 22 K 4.2121 8.1842 120.0448 57.2604 32.0461 177.1107 23 G 4.0370 9.4912 113.4249 45.9323 0.0000 173.7337 24 G 3.6321 7.3173 109.9054 45.7996 0.0000 174.4792 25 R 4.3520 7.8587 118.8510 56.5693 31.7074 175.2786 26 E 5.3067 8.9482 119.0374 55.4363 34.9482 174.4697 27 F 5.1916 8.8401 117.6654 56.2520 43.8982 174.2156 28 R 5.0598 8.6839 121.2397 54.4979 33.7483 175.4627 29 G 4.1960 8.1007 108.0843 46.9290 0.0000 171.0261 30 T 5.0181 7.7341 117.1112 61.6850 70.2933 174.4869 31 L 4.0068 8.5850 129.6080 55.9930 42.4796 175.2652 32 D 4.6728 9.6061 128.0518 54.0890 41.4628 178.0133 33 G 4.3416 7.2525 104.1794 44.8859 0.0000 170.0979 34 Y 5.6971 7.7967 115.3789 57.4095 40.0128 172.4617 35 D 4.8625 8.0990 118.9756 51.6282 43.0421 175.8030 36 I 3.7424 8.7062 119.1065 65.2591 36.8653 177.6449 37 H 4.3075 7.9804 114.6255 57.7471 28.9403 175.7935 38 M 3.4111 8.5466 118.7643 55.2967 31.6696 175.4845 39 N 4.9758 8.3444 113.6539 52.9174 40.0606 174.1364 40 L 5.3017 8.7911 120.9016 52.9675 46.4752 175.5244 41 V 4.9021 8.2912 119.4883 61.2629 34.6845 174.2122 42 L 5.3388 8.9889 127.2418 52.9196 45.5319 175.3416 43 L 4.9422 8.6517 122.1031 53.9675 44.6617 175.5621 44 D 4.7886 9.3804 120.6069 55.3288 38.5700 172.1705 45 A 5.1999 8.5415 122.2634 49.9625 23.8208 175.4178 46 E 5.1075 8.8738 117.4070 54.7079 34.0281 174.8739 47 E 3.9777 9.3325 125.7289 55.1269 31.2423 174.8808 48 I 4.8941 8.2845 127.5996 59.4730 40.7143 174.3272 49 Q 4.3217 8.7391 127.7000 53.9075 31.1168 174.1907 50 N 4.1964 9.4464 127.5209 54.4791 36.8239 174.6718 51 G 4.0022 8.0575 105.3730 45.3152 0.0000 171.6052 52 E 4.5425 7.5298 120.9812 53.9543 31.5115 174.8615 53 V 4.1204 8.2679 125.8041 62.8717 31.9367 175.4776 54 V 4.2614 8.4751 126.5501 61.9087 32.2815 175.2617 55 R 4.6157 6.8165 120.5909 56.6805 32.8570 172.6067 56 K 5.1674 8.7257 124.1104 54.8223 35.1740 175.8978 57 V 4.4683 9.2120 116.6724 59.6007 35.8526 176.4047 58 G 3.8951 8.9908 112.0225 49.3133 0.0000 173.1274 59 S 5.0240 7.6700 111.5823 57.5168 65.6329 174.4034 60 V 4.5007 8.8600 113.6766 59.8056 36.3603 174.4241 61 V 4.5998 8.3295 123.2029 61.3951 33.3377 174.6128 62 I 4.3748 8.1420 129.5651 59.1411 39.3779 175.9095 63 R 4.3352 8.6717 126.7493 56.1406 30.8213 177.8056 64 G 3.7521 10.4748 113.3053 48.2885 0.0000 174.8680 65 D 4.3843 8.2621 118.2719 57.4999 41.4508 177.7156 66 T 4.0978 8.0238 115.3124 65.5193 68.8602 175.0750 67 V 4.0264 7.6518 121.8623 63.0723 32.0845 175.2678 68 V 4.2199 8.9333 128.2902 64.5916 32.1734 175.6331 69 F 5.0634 7.3201 112.9700 55.8645 41.0577 172.5226 70 V 5.0980 8.6009 119.3409 61.4323 33.9665 174.4873 71 S 4.8202 9.2997 121.3512 56.0752 66.3384 171.2378 72 P 4.8777 0.0000 0.0000 62.3259 32.3673 176.0580 73 A 4.5382 8.1063 122.3728 49.3371 21.2495 174.6423 74 P 4.3562 0.0000 0.0000 63.9087 31.4334 176.7481 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 3 P 0.00 4.27 0.00 2.05 2.11 0.00 3.70 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 1.92 2.07 0.00 4 R 7.71 4.36 0.00 1.92 1.92 0.00 3.26 0.00 0.00 3.34 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.76 0.00 5 P 0.00 4.13 0.00 2.18 2.04 0.00 3.64 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.21 0.00 6 L 7.92 3.86 0.00 1.66 1.66 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.60 4.31 0.00 2.92 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 8 V 7.71 3.54 2.20 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 0.81 0.00 0.00 0.91 0.00 0.00 9 L 7.26 3.97 0.00 1.50 1.23 0.83 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 10 N 7.86 4.75 0.00 3.03 3.09 0.00 0.00 7.25 7.67 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 11 R 7.81 4.28 0.00 1.96 1.95 0.00 3.16 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 12 S 8.56 4.74 0.00 3.93 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 13 L 7.77 4.28 0.00 1.68 1.66 0.98 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 14 K 9.40 4.07 0.00 1.91 2.03 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.38 7.81 15 S 7.87 4.90 0.00 3.90 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 16 P 0.00 4.86 0.00 2.16 2.23 0.00 3.65 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 2.18 2.01 0.00 17 V 9.23 4.84 2.21 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 0.86 0.00 0.00 1.00 0.00 0.00 18 I 9.29 4.86 2.01 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.81 0.97 0.00 0.00 19 V 8.91 4.57 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 0.91 0.00 0.00 0.94 0.00 0.00 20 R 8.46 4.41 0.00 1.04 0.66 0.00 2.78 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.35 0.00 21 L 8.21 4.85 0.00 1.67 1.59 1.09 0.87 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 22 K 8.18 4.21 0.00 1.68 1.73 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.63 7.81 23 G 9.49 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 24 G 7.32 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 25 R 7.86 4.35 0.00 1.75 1.79 0.00 3.06 0.00 0.00 3.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 26 E 8.95 5.31 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 2.13 2.19 0.00 27 F 8.84 5.19 0.00 2.98 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 28 R 8.68 5.06 0.00 1.78 1.82 0.00 3.21 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 29 G 8.10 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 0.00 0.00 0.00 0.00 30 T 7.73 5.02 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 1.26 0.00 0.00 31 L 8.58 4.01 0.00 1.84 1.75 1.02 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 32 D 9.61 4.67 0.00 2.65 2.61 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 33 G 7.25 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.80 5.70 0.00 2.92 2.91 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 35 D 8.10 4.86 0.00 2.81 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 36 I 8.71 3.74 1.85 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 1.43 0.44 0.97 0.00 0.00 37 H 7.98 4.31 0.00 3.25 3.36 0.00 5.70 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 M 8.55 3.41 0.00 2.15 2.40 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 39 N 8.34 4.98 0.00 3.01 2.73 0.00 0.00 6.81 6.09 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 40 L 8.79 5.30 0.00 1.49 1.51 0.90 0.61 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 41 V 8.29 4.90 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 0.88 0.00 0.00 0.91 0.00 0.00 42 L 8.99 5.34 0.00 1.47 1.47 0.76 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.65 4.94 0.00 1.59 1.54 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 44 D 9.38 4.79 0.00 2.62 2.68 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 45 A 8.54 5.20 1.42 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 0.00 0.00 46 E 8.87 5.11 0.00 1.87 1.82 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 2.22 2.24 0.00 47 E 9.33 3.98 0.00 1.46 1.54 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 1.95 1.55 0.00 48 I 8.28 4.89 1.79 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 1.04 0.54 0.93 0.00 0.00 49 Q 8.74 4.32 0.00 2.01 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.30 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 50 N 9.45 4.20 0.00 2.82 2.77 0.00 0.00 7.28 7.98 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 51 G 8.06 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 52 E 7.53 4.54 0.00 1.91 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 2.17 2.18 0.00 53 V 8.27 4.12 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 0.78 0.00 0.00 0.90 0.00 0.00 54 V 8.48 4.26 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 0.75 0.00 0.00 0.92 0.00 0.00 55 R 6.82 4.62 0.00 1.90 1.66 0.00 3.20 0.00 0.00 3.37 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.44 0.00 56 K 8.73 5.17 0.00 1.64 1.68 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.42 7.81 57 V 9.21 4.47 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 0.84 0.00 0.00 1.15 0.00 0.00 58 G 8.99 3.90 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 0.00 0.00 0.00 59 S 7.67 5.02 0.00 3.89 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 60 V 8.86 4.50 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 0.72 0.00 0.00 0.58 0.00 0.00 61 V 8.33 4.60 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 0.79 0.00 0.00 0.90 0.00 0.00 62 I 8.14 4.37 1.74 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.15 0.84 0.00 0.00 63 R 8.67 4.34 0.00 1.83 1.87 0.00 3.32 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.58 0.00 64 G 10.47 3.75 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 0.00 0.00 0.00 65 D 8.26 4.38 0.00 2.64 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 66 T 8.02 4.10 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 1.22 0.00 0.00 67 V 7.65 4.03 2.19 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 0.74 0.00 0.00 0.91 0.00 0.00 68 V 8.93 4.22 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 0.96 0.00 0.00 0.95 0.00 0.00 69 F 7.32 5.06 0.00 3.06 3.12 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 70 V 8.60 5.10 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 0.84 0.00 0.00 0.95 0.00 0.00 71 S 9.30 4.82 0.00 3.87 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 72 P 0.00 4.88 0.00 1.99 1.97 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 73 A 8.11 4.54 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 74 P 0.00 4.36 0.00 2.06 2.01 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00