NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1398 8.2549 119.6880 54.8923 31.7322 175.1437 2 P 3.8727 0.0000 0.0000 61.7064 31.9313 174.8605 3 D 4.2767 8.6407 123.0070 57.9268 41.9392 178.5287 4 F 4.4587 8.2946 114.1912 60.4830 37.3334 177.7891 5 C 4.7539 6.9983 115.7499 59.4207 39.9641 175.2341 6 L 4.3185 8.1563 119.2404 54.9037 41.4834 176.6948 7 E 4.1438 8.2855 120.2590 55.4818 29.3962 174.9376 8 P 4.5414 0.0000 0.0000 60.8426 32.9340 173.7948 9 P 4.5395 0.0000 0.0000 62.7049 31.9328 175.0522 10 Y 4.4696 8.5015 120.4640 56.4770 39.8745 174.2820 11 A 4.1084 8.8072 126.2368 52.0658 18.7022 176.2058 12 G 3.6081 8.6557 109.1525 45.5711 0.0000 172.8380 13 A 4.4699 8.6373 129.0452 51.7120 21.5464 176.4695 14 C 4.7700 8.3528 112.4624 55.3714 45.6358 173.6154 15 R 4.6077 8.7858 122.7593 55.8063 30.4151 175.8338 16 A 4.3891 8.3999 123.4773 51.9949 21.8972 176.3659 17 A 4.4321 7.9801 122.0283 50.3809 19.3808 176.7683 18 A 4.1679 7.7420 122.9811 52.7670 19.6014 177.8326 19 A 4.2531 8.1957 120.9746 52.6122 18.5772 177.7176 20 R 5.0752 7.6113 119.4453 56.0943 33.5442 176.0006 21 Y 5.3568 9.4020 117.3636 56.6301 42.7310 174.4824 22 F 5.4387 8.1536 115.1775 55.6717 42.1786 172.8337 23 Y 4.6764 8.4022 120.7411 57.3536 40.5487 173.6961 24 N 5.1253 8.0413 124.9806 51.0222 38.7837 174.4516 25 A 3.4528 8.3610 127.5767 54.2959 18.7207 178.4465 26 K 4.2307 8.0603 114.4005 56.9523 32.4658 176.7446 27 A 4.4647 8.4832 118.9572 51.4666 21.0467 177.9696 28 G 4.5253 8.0688 102.6916 45.3783 0.0000 172.9777 29 L 4.8503 7.1823 118.6935 53.1484 45.8431 174.7586 30 C 5.5595 8.3838 117.4666 55.5424 42.2040 173.0340 31 Q 4.3209 7.3381 118.9571 54.5950 32.1190 174.3058 32 T 4.3410 8.0888 119.2072 61.6383 67.6125 173.5886 33 F 4.0079 7.6017 120.0759 56.7071 38.3997 173.7711 34 A 4.3223 8.8313 122.9309 52.0722 21.9504 175.7806 35 Y 3.3666 8.2466 118.2441 58.9758 39.2469 172.4990 36 G 4.0822 8.8671 107.7809 45.5521 0.0000 172.7825 37 A 4.0391 7.9286 122.4714 51.9450 18.6357 177.9790 38 C 4.4754 7.6652 119.1682 55.8295 41.5589 173.6482 39 A 4.1368 8.2186 123.3225 51.8685 18.4624 177.5622 40 A 4.3969 9.0075 125.3256 51.3495 19.3301 177.1772 41 K 4.0636 8.4100 121.7016 59.4424 32.8568 178.5486 42 R 4.0021 7.8505 117.5143 58.7863 31.0352 177.6778 43 N 4.9237 8.0140 116.5228 51.9234 36.8757 173.8831 44 N 5.1596 7.5662 115.4298 52.3023 38.9393 174.5771 45 F 4.9089 10.0021 124.2047 55.2561 41.2083 177.6586 46 K 4.2626 8.8509 123.5581 58.8640 32.3488 177.7816 47 S 4.6303 7.9144 112.5569 55.7190 66.9275 174.8142 48 A 3.3204 6.1926 125.4512 55.0478 17.9446 179.7454 49 E 3.7831 7.6971 117.2988 59.3004 29.7089 178.4481 50 D 4.2368 7.7139 117.5919 57.3136 41.3405 178.4462 51 C 2.0000 7.9529 119.1023 59.1392 43.1025 175.4255 52 L 3.6378 8.0657 120.7701 57.6738 40.9169 179.5750 53 R 3.7597 7.7805 117.9199 59.7626 30.1441 178.5249 54 T 4.0590 7.3590 113.7294 66.8168 68.8030 175.7377 55 C 4.0410 8.2485 117.8440 59.4330 40.9860 174.7074 56 G 3.6989 7.5013 112.0932 45.7504 0.0000 171.3257 57 G 3.4390 8.7908 112.6140 45.7275 0.0000 173.2600 58 A 4.1351 7.5866 128.0655 51.8068 18.4800 177.0930 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 R 8.25 4.14 0.00 1.66 1.61 0.00 3.19 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.58 0.00 2 P 0.00 3.87 0.00 0.86 1.41 0.00 3.28 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.01 0.00 3 D 8.64 4.28 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 4 F 8.29 4.46 0.00 3.33 3.34 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 5 C 7.00 4.75 0.00 2.88 2.93 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 0.00 0.00 0.00 6 L 8.16 4.32 0.00 1.64 1.77 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.29 4.14 0.00 2.14 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 0.00 2.43 2.52 0.00 8 P 0.00 4.54 0.00 2.11 2.00 0.00 3.78 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 9 P 0.00 4.54 0.00 1.84 1.45 0.00 3.44 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.68 0.00 10 Y 8.50 4.47 0.00 3.04 3.06 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 11 A 8.81 4.11 1.19 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 0.00 0.00 12 G 8.66 3.61 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 0.00 0.00 0.00 13 A 8.64 4.47 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 14 C 8.35 4.77 0.00 3.06 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 15 R 8.79 4.61 0.00 1.72 1.91 0.00 3.42 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 16 A 8.40 4.39 1.07 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 0.00 0.00 0.00 0.00 0.00 0.00 17 A 7.98 4.43 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 18 A 7.74 4.17 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.20 4.25 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 20 R 7.61 5.08 0.00 2.00 2.22 0.00 2.99 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 1.71 1.60 0.00 21 Y 9.40 5.36 0.00 2.98 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 22 F 8.15 5.44 0.00 3.41 3.20 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 23 Y 8.40 4.68 0.00 3.16 3.21 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 24 N 8.04 5.13 0.00 2.70 2.61 0.00 0.00 7.06 7.80 0.00 0.00 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 A 8.36 3.45 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 26 K 8.06 4.23 0.00 1.71 1.82 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.51 7.81 27 A 8.48 4.46 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 28 G 8.07 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.18 4.85 0.00 1.52 1.50 0.90 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.38 5.56 0.00 2.81 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 31 Q 7.34 4.32 0.00 1.63 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 7.19 0.00 0.00 0.00 0.00 0.00 2.20 2.16 0.00 32 T 8.09 4.34 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 1.12 0.00 0.00 33 F 7.60 4.01 0.00 3.24 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 34 A 8.83 4.32 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 8.25 3.37 0.00 3.13 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 36 G 8.87 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.93 4.04 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 38 C 7.67 4.48 0.00 1.47 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 39 A 8.22 4.14 0.99 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 0.00 0.00 0.00 0.00 0.00 0.00 40 A 9.01 4.40 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 0.00 0.00 41 K 8.41 4.06 0.00 1.77 1.81 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.48 7.81 42 R 7.85 4.00 0.00 1.97 1.85 0.00 3.26 0.00 0.00 2.83 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 43 N 8.01 4.92 0.00 2.85 2.90 0.00 0.00 7.13 8.15 0.00 0.00 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 N 7.57 5.16 0.00 3.01 3.14 0.00 0.00 6.26 7.45 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 45 F 10.00 4.91 0.00 3.22 3.20 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 46 K 8.85 4.26 0.00 1.86 1.99 0.00 1.82 0.00 0.00 1.81 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.51 7.81 47 S 7.91 4.63 0.00 3.85 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 48 A 6.19 3.32 0.58 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 0.00 0.00 0.00 0.00 0.00 49 E 7.70 3.78 0.00 1.92 1.85 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 2.31 2.29 0.00 50 D 7.71 4.24 0.00 2.94 2.90 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 51 C 7.95 2.00 0.00 2.84 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.07 3.64 0.00 1.54 1.62 0.84 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.78 3.76 0.00 1.95 1.99 0.00 3.23 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 54 T 7.36 4.06 4.27 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 0.00 0.00 1.51 0.00 0.00 55 C 8.25 4.04 0.00 2.70 2.16 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 56 G 7.50 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.79 3.44 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 0.00 0.00 0.00 0.00 58 A 7.59 4.14 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