NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8963 8.3544 109.7350 45.2664 0.0000 173.0925 2 S 4.0904 8.2447 112.9531 57.0682 62.7923 173.3896 3 P 4.0283 0.0000 0.0000 65.0867 32.2795 175.4264 4 G 4.0347 6.9713 102.7952 45.4644 0.0000 172.4610 5 I 4.0249 7.9125 121.3904 61.3126 37.8836 175.7444 6 Q 4.7903 8.6103 127.1386 55.2666 29.5692 175.9497 7 V 4.6021 8.7848 116.7919 59.4240 36.4834 174.7868 8 K 4.8339 8.4572 122.0083 55.3537 33.9771 176.0010 9 A 4.4614 8.8174 127.1253 52.1995 18.8490 178.2532 10 L 3.9408 8.9440 122.5826 56.2714 42.4917 176.4849 11 Y 5.0072 7.6949 113.8907 56.0924 42.2640 174.7144 12 D 4.8829 8.9460 121.1667 54.9261 41.9586 175.4344 13 Y 4.5754 8.5277 122.9285 55.9496 42.3483 173.2997 14 D 4.7495 7.6929 125.9924 52.0713 42.3101 176.1758 15 A 4.2077 8.3040 126.2247 52.9133 18.5756 177.2908 16 Q 4.3904 9.6552 120.3925 55.8802 29.9576 175.3258 17 T 4.7494 7.5372 107.6030 59.3623 72.0692 174.9630 18 G 3.6698 8.6719 110.1341 47.9992 0.0000 174.1465 19 D 4.7487 8.0820 118.2369 54.3269 41.3729 175.7568 20 E 5.2948 7.7775 119.0418 55.3147 31.3123 175.6063 21 L 4.7401 8.8111 121.9650 54.3472 43.1508 176.4321 22 T 4.7782 8.5511 119.6240 62.5071 70.1599 173.8473 23 F 5.0854 8.5507 119.6296 56.1339 42.1138 172.7925 24 K 5.1781 9.5872 118.0746 53.9668 35.7525 175.8389 25 E 4.1207 9.3290 123.4526 58.5574 29.7521 177.7246 26 G 4.0284 8.9653 114.9734 45.0749 0.0000 173.4832 27 D 4.5476 8.2050 120.1228 54.8857 42.2356 175.7524 28 T 4.7575 8.3963 118.6449 62.5173 69.6162 174.1344 29 I 4.2891 8.5860 128.7500 59.9412 39.4838 175.2097 30 I 4.4194 8.4836 128.1915 60.4436 38.4504 175.0036 31 V 4.2742 8.9284 128.8305 62.6247 32.1220 176.0077 32 H 4.5428 9.2071 125.7834 57.6814 30.1325 175.9345 33 Q 4.3333 7.6798 115.2431 53.7192 33.1457 175.7474 34 K 2.9012 7.7510 123.9266 54.3272 30.7095 176.5041 35 D 4.6173 7.7654 119.6262 53.4863 42.0295 175.4404 36 P 4.3997 0.0000 0.0000 64.1284 31.9021 176.0442 37 A 4.0242 9.0230 122.0483 52.1344 16.5366 179.0591 38 G 3.8636 8.8776 106.2134 44.6810 0.0000 173.1942 39 W 5.0764 7.8954 118.7128 54.6792 31.6739 175.0332 40 W 5.5423 9.5068 124.6489 55.1582 31.9270 175.2874 41 E 4.2456 9.1874 122.6480 56.2186 30.0471 176.1190 42 G 4.4475 9.1231 112.4919 44.7629 0.0000 170.0359 43 E 5.3384 8.8457 119.0090 54.8899 33.6922 174.1445 44 L 4.7665 9.1031 127.9864 54.3654 46.0812 175.4379 45 N 4.3391 10.0439 123.5953 54.4608 36.1776 175.2181 46 G 3.9429 8.5269 103.9896 45.1078 0.0000 173.3493 47 K 4.5033 8.0136 121.5009 54.2661 34.0815 174.5307 48 R 4.7243 8.3637 126.6288 55.6228 31.3017 175.2386 49 G 4.0071 8.4092 111.6977 45.4808 0.0000 172.1958 50 W 5.3673 8.9033 120.5949 56.6084 30.4820 176.1483 51 V 5.1114 9.3426 123.6072 60.2959 34.4700 172.9454 52 P 3.4005 0.0000 0.0000 61.8420 31.4010 177.1465 53 A 3.0224 8.0265 127.7826 54.2580 18.1857 178.3857 54 N 4.4596 7.6224 111.0909 54.4640 37.8328 175.1437 55 Y 4.6269 8.1627 116.9201 58.4085 38.7722 175.4500 56 V 4.6764 6.9548 113.0322 58.9071 34.2310 175.2344 57 Q 3.8201 8.4338 123.9359 56.9006 29.1756 177.0456 58 D 4.5252 8.7537 126.3078 53.4263 41.3917 173.2213 59 I 4.6528 8.0461 111.8994 61.2840 37.7772 174.8713 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 G 8.35 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 2 S 8.24 4.09 0.00 3.94 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 3 P 0.00 4.03 0.00 2.09 2.12 0.00 3.76 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 2.03 2.09 0.00 4 G 6.97 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 5 I 7.91 4.02 1.80 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.56 0.89 0.00 0.00 6 Q 8.61 4.79 0.00 1.92 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 7 V 8.78 4.60 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 0.86 0.00 0.00 1.02 0.00 0.00 8 K 8.46 4.83 0.00 1.78 1.67 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.36 7.81 9 A 8.82 4.46 1.24 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 0.00 0.00 10 L 8.94 3.94 0.00 0.56 0.55 0.81 0.60 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 11 Y 7.69 5.01 0.00 2.75 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.95 4.88 0.00 2.66 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.53 4.58 0.00 2.43 1.43 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 14 D 7.69 4.75 0.00 2.26 2.35 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 0.00 15 A 8.30 4.21 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.66 4.39 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.66 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 17 T 7.54 4.75 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 1.18 0.00 0.00 18 G 8.67 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.08 4.75 0.00 2.95 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 7.78 5.29 0.00 2.10 2.23 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 2.31 2.29 0.00 21 L 8.81 4.74 0.00 1.95 1.90 1.03 0.90 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 22 T 8.55 4.78 4.28 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 1.16 0.00 0.00 23 F 8.55 5.09 0.00 3.29 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 24 K 9.59 5.18 0.00 1.78 1.79 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.41 7.81 25 E 9.33 4.12 0.00 1.96 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 2.33 2.26 0.00 26 G 8.97 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 27 D 8.21 4.55 0.00 2.93 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 28 T 8.40 4.76 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 1.20 0.00 0.00 29 I 8.59 4.29 1.78 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.52 0.88 0.00 0.00 30 I 8.48 4.42 1.81 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 1.08 0.79 0.74 0.00 0.00 31 V 8.93 4.27 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 0.76 0.00 0.00 1.16 0.00 0.00 32 H 9.21 4.54 0.00 3.15 3.27 0.00 5.67 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 33 Q 7.68 4.33 0.00 2.08 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.13 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 34 K 7.75 2.90 0.00 1.29 1.04 0.00 1.38 0.00 0.00 1.13 0.00 0.00 2.26 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.30 0.68 7.81 35 D 7.77 4.62 0.00 3.29 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.40 0.00 2.24 2.12 0.00 3.84 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 37 A 9.02 4.02 1.50 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 0.00 0.00 38 G 8.88 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 W 7.90 5.08 0.00 2.79 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 40 W 9.51 5.54 0.00 3.35 3.17 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 41 E 9.19 4.25 0.00 1.92 1.73 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 1.52 2.38 0.00 42 G 9.12 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.85 5.34 0.00 2.14 1.78 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 2.24 2.40 0.00 44 L 9.10 4.77 0.00 1.80 1.52 0.99 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 45 N 10.04 4.34 0.00 2.91 2.87 0.00 0.00 7.21 7.65 0.00 0.00 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 G 8.53 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 0.00 0.00 0.00 47 K 8.01 4.50 0.00 1.82 1.69 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.35 7.81 48 R 8.36 4.72 0.00 1.82 1.74 0.00 3.22 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.54 0.00 49 G 8.41 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 W 8.90 5.37 0.00 3.35 3.35 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 0.00 51 V 9.34 5.11 2.26 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 0.99 0.00 0.00 1.09 0.00 0.00 52 P 0.00 3.40 0.00 1.60 0.49 0.00 3.70 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.44 0.00 53 A 8.03 3.02 -0.16 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 0.00 0.00 54 N 7.62 4.46 0.00 2.75 2.80 0.00 0.00 5.99 7.55 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 55 Y 8.16 4.63 0.00 3.29 3.42 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 56 V 6.95 4.68 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 0.50 0.00 0.00 0.82 0.00 0.00 57 Q 8.43 3.82 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 5.95 0.00 0.00 0.00 0.00 0.00 2.36 2.25 0.00 58 D 8.75 4.53 0.00 2.87 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 59 I 8.05 4.65 2.16 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.95 0.91 0.00 0.00