NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.5627 0.0000 0.0000 62.6939 33.6844 174.7520 2 M 5.3259 8.5505 119.9033 53.4518 35.6226 173.4399 3 I 4.8929 9.2437 124.3932 59.4816 41.3833 174.3923 4 S 5.2864 8.8796 119.7342 56.7453 66.4138 173.0799 5 C 4.7472 8.8854 121.2946 58.0226 34.4708 172.3104 6 D 5.4389 8.8655 127.1910 53.6842 41.5918 175.8130 7 M 4.3252 8.8296 119.9048 53.6753 35.1918 174.3652 8 R 4.3399 7.5421 118.0667 55.9778 30.8864 176.6006 9 Y 4.2828 8.5470 120.1084 59.2720 38.1451 175.7457 10 G 3.7841 9.2484 111.0914 45.7545 0.0000 174.8848 11 R 4.1924 7.5849 120.0786 56.0366 30.8617 177.1264 12 T 4.2436 8.6804 112.6685 61.3837 70.9887 175.5869 13 D 4.3833 8.5743 121.2009 57.5432 40.7876 178.9126 14 E 3.9789 8.1415 118.5396 59.6386 29.4706 179.2974 15 Q 4.0170 8.2220 117.9720 58.9295 28.6710 179.0479 16 K 4.0255 8.2088 119.5472 59.4664 32.0515 179.6785 17 R 3.9261 8.2618 118.2806 59.1081 29.9419 178.9562 18 A 3.9823 8.2093 120.7297 54.8755 18.2780 179.4313 19 L 3.8365 8.2661 119.4335 58.3498 42.1893 179.3977 20 S 3.6992 8.4057 114.2097 61.2174 62.9167 176.1680 21 A 4.0253 8.1853 124.5943 54.7568 18.0893 179.9198 22 G 3.4239 7.9519 104.0678 47.9867 0.0000 175.9067 23 L 3.8368 7.8516 122.3218 57.3385 41.4922 179.7396 24 L 3.8705 8.0800 119.2747 57.5111 41.4367 179.5198 25 R 3.8249 7.9316 118.6675 59.5975 30.2045 179.0848 26 V 3.5890 7.8534 112.2211 64.4598 31.5037 178.7347 27 I 3.7200 7.9131 119.7580 64.2498 36.8929 178.4696 28 S 4.3033 8.1570 115.4880 60.9378 62.0331 175.8693 29 E 3.9222 8.1300 119.9822 59.5551 29.2776 178.9699 30 A 4.1848 7.7950 119.3858 54.3965 18.7417 178.8331 31 T 4.3226 8.1692 106.3364 61.4806 69.9874 176.0373 32 G 4.0040 8.2851 109.8260 45.1978 0.0000 173.7926 33 E 4.0893 7.8440 120.3237 55.4320 30.1202 175.1160 34 P 4.4926 0.0000 0.0000 61.9532 32.3717 177.2924 35 R 3.8949 8.5603 115.7610 59.3041 29.1964 177.5971 36 E 4.0019 8.2752 118.0799 58.7534 29.5413 176.8050 37 N 4.8173 8.2568 114.1777 53.2910 38.7531 175.4841 38 I 4.7511 7.2457 119.0641 59.3522 38.7698 173.8537 39 F 4.5638 9.3616 129.2808 57.7477 40.8607 173.5733 40 F 5.5375 7.6212 126.6692 56.3417 42.5206 173.8992 41 V 3.9122 8.3242 124.7554 59.7173 34.3795 174.2804 42 I 4.3400 7.7063 125.3214 59.8965 38.7029 175.1003 43 R 4.4708 9.0014 126.6553 54.5992 32.0153 174.9697 44 E 5.4522 8.0006 123.3706 54.0818 32.0222 175.3403 45 G 4.3934 7.9902 107.9778 44.8398 0.0000 172.2310 46 S 4.9559 9.1314 115.7112 58.1173 63.8065 175.9915 47 G 3.8801 9.5008 112.3230 49.0260 0.0000 175.9972 48 I 3.8978 7.8672 118.4604 63.3731 38.0769 176.1151 49 N 4.5495 8.1636 115.9430 54.1760 38.8099 174.6886 50 F 4.5773 8.4097 118.6100 55.2712 41.2564 174.4166 51 V 4.6894 8.4108 124.6391 60.9312 33.4228 174.0474 52 E 4.6519 8.7868 127.8877 55.8765 32.0711 175.1634 53 H 4.0424 9.8998 121.6693 56.9512 26.4404 175.8891 54 G 4.0099 8.6013 105.1662 45.5540 0.0000 173.9210 55 E 4.8165 8.0439 118.8344 54.3435 32.8677 174.9875 56 H 4.9213 8.7165 119.0034 55.8996 29.5580 175.2151 57 L 4.5960 8.6714 122.5030 53.6272 42.6548 175.0977 58 P 4.6903 0.0000 0.0000 61.9382 32.7419 175.6258 59 D 4.5463 8.6543 119.8854 54.5871 41.2751 176.2214 60 Y 4.0827 8.5595 123.7015 57.4502 39.4275 175.1018 61 V 4.0117 7.2728 126.6347 60.3612 32.7655 173.4919 62 P 4.3588 0.0000 0.0000 62.8879 31.4963 175.6668 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 P 0.00 4.56 0.00 2.12 2.06 0.00 3.66 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 2 M 8.55 5.33 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.73 0.00 3 I 9.24 4.89 2.06 0.00 0.00 0.66 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 0.81 0.94 0.00 0.00 4 S 8.88 5.29 0.00 3.85 3.87 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 5 C 8.89 4.75 0.00 3.30 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 6 D 8.87 5.44 0.00 2.73 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 7 M 8.83 4.33 0.00 1.91 1.84 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 8 R 7.54 4.34 0.00 1.47 1.88 0.00 3.36 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.85 0.00 9 Y 8.55 4.28 0.00 2.93 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 10 G 9.25 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 11 R 7.58 4.19 0.00 1.67 1.80 0.00 2.40 0.00 0.00 2.84 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.57 0.00 12 T 8.68 4.24 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 1.31 0.00 0.00 13 D 8.57 4.38 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 14 E 8.14 3.98 0.00 2.02 2.01 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 2.41 2.41 0.00 15 Q 8.22 4.02 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 16 K 8.21 4.03 0.00 1.95 1.86 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.42 1.70 7.81 17 R 8.26 3.93 0.00 2.02 1.99 0.00 3.13 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 18 A 8.21 3.98 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 19 L 8.27 3.84 0.00 1.86 1.94 0.89 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.41 3.70 0.00 4.18 4.36 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 21 A 8.19 4.03 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.95 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 0.00 0.00 0.00 23 L 7.85 3.84 0.00 1.11 1.34 0.41 0.78 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 24 L 8.08 3.87 0.00 1.75 1.66 0.77 0.64 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 25 R 7.93 3.82 0.00 1.99 2.07 0.00 3.07 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 26 V 7.85 3.59 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 0.86 0.00 0.00 0.94 0.00 0.00 27 I 7.91 3.72 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.82 0.90 0.00 0.00 28 S 8.16 4.30 0.00 3.92 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 29 E 8.13 3.92 0.00 2.09 2.00 0.00 0.00 0.00 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 2.60 0.00 30 A 7.79 4.18 1.32 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 0.00 0.00 0.00 31 T 8.17 4.32 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 1.23 0.00 0.00 32 G 8.29 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 33 E 7.84 4.09 0.00 2.06 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 2.33 2.40 0.00 34 P 0.00 4.49 0.00 2.22 2.18 0.00 3.72 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 2.08 1.96 0.00 35 R 8.56 3.89 0.00 1.93 2.11 0.00 3.04 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 36 E 8.28 4.00 0.00 1.94 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 0.00 2.32 2.44 0.00 37 N 8.26 4.82 0.00 2.86 2.85 0.00 0.00 6.76 7.04 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 38 I 7.25 4.75 2.00 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 1.24 0.79 0.90 0.00 0.00 39 F 9.36 4.56 0.00 3.20 2.98 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 0.00 0.00 0.00 40 F 7.62 5.54 0.00 2.71 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.32 3.91 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 0.77 0.00 0.00 0.83 0.00 0.00 42 I 7.71 4.34 1.58 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 -0.36 0.79 0.00 0.00 43 R 9.00 4.47 0.00 1.78 1.79 0.00 3.25 0.00 0.00 3.15 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 44 E 8.00 5.45 0.00 1.16 1.12 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 1.95 1.89 0.00 45 G 7.99 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.13 4.96 0.00 4.04 3.93 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 47 G 9.50 3.88 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 0.00 0.00 0.00 48 I 7.87 3.90 1.94 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.78 0.98 0.00 0.00 49 N 8.16 4.55 0.00 2.95 2.55 0.00 0.00 6.79 7.50 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 50 F 8.41 4.58 0.00 3.31 2.98 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 0.00 0.00 0.00 51 V 8.41 4.69 2.01 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 0.76 0.00 0.00 0.57 0.00 0.00 52 E 8.79 4.65 0.00 2.12 1.80 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 0.00 2.28 2.42 0.00 53 H 9.90 4.04 0.00 3.33 3.37 0.00 5.80 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.60 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 55 E 8.04 4.82 0.00 2.02 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 2.24 2.41 0.00 56 H 8.72 4.92 0.00 3.07 3.30 0.00 5.69 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.67 4.60 0.00 1.92 1.68 0.98 0.99 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 58 P 0.00 4.69 0.00 2.09 2.08 0.00 3.82 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 59 D 8.65 4.55 0.00 2.73 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 60 Y 8.56 4.08 0.00 2.86 3.13 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 61 V 7.27 4.01 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 0.78 0.00 0.00 0.83 0.00 0.00 62 P 0.00 4.36 0.00 2.25 2.37 0.00 3.52 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.30 0.00