NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4386 8.3049 120.3543 54.7692 34.5966 176.0064 2 P 4.1698 0.0000 0.0000 61.8316 32.8977 173.9263 3 K 4.8052 9.3173 126.1780 55.2965 34.5274 174.0468 4 H 5.1974 9.4620 125.8416 54.5719 31.1636 174.2058 5 E 4.9360 8.2023 120.9651 54.5879 32.4886 175.1981 6 F 5.3023 9.3369 122.3259 55.6702 43.8576 173.6535 7 S 5.2428 9.0962 115.7463 56.7096 64.4621 173.0659 8 V 4.6904 8.3310 126.4554 61.1722 34.0335 175.8703 9 D 4.7107 8.8121 129.1542 54.1590 38.8217 173.7475 10 M 4.5267 8.0528 120.9167 53.5970 33.7900 176.1951 11 T 4.5550 8.1898 111.5904 61.0569 70.0374 172.6518 12 C 4.6398 7.5178 115.9599 56.2961 32.2581 174.8521 13 G 3.7725 8.6927 106.7169 47.9437 0.0000 176.0388 14 G 3.6756 8.0619 107.3798 47.7709 0.0000 175.4798 15 C 4.1503 7.9363 118.3710 62.6048 28.2280 176.0273 16 A 3.9633 7.8810 121.9730 55.0729 18.2015 179.1244 17 E 3.8742 8.3215 117.6914 59.2780 29.5582 178.9205 18 A 3.9681 7.9412 120.8700 55.0230 18.3011 179.7587 19 V 3.4244 7.5638 116.7392 66.1141 31.6173 178.4449 20 S 3.6387 7.8323 113.7078 61.2591 62.7025 176.8192 21 R 3.9136 7.8112 121.2904 59.2399 29.7720 179.4355 22 V 3.6571 7.5310 111.9471 64.1651 31.4627 178.6889 23 L 3.9938 7.6164 118.8585 57.6299 41.2222 179.0734 24 N 4.4601 8.0409 115.7755 56.1605 38.5230 177.0487 25 K 4.0862 7.8173 120.2582 59.2385 32.3702 178.3448 26 L 4.0533 7.4324 119.5283 56.5705 42.2815 178.3292 27 G 3.9992 7.6477 101.9180 46.0476 0.0000 172.3254 28 G 4.0039 8.6313 103.9225 46.5453 0.0000 173.9814 29 V 4.8838 7.7398 109.8738 59.2610 36.3533 175.5011 30 K 4.5642 8.8093 121.3304 54.8539 35.3848 175.1488 31 Y 5.4679 7.7133 121.8269 55.3513 42.1222 174.1166 32 D 4.8226 9.0887 118.3783 52.8839 44.6100 173.7197 33 I 4.8212 8.6996 126.7667 59.6475 39.4715 174.5467 34 D 4.6912 8.8807 127.7977 52.5707 42.4544 176.6768 35 L 3.9125 8.7040 128.7375 57.5813 42.5617 177.1375 36 P 4.2541 0.0000 0.0000 65.5266 30.9689 176.4687 37 N 4.6087 8.4276 113.2678 52.0184 39.5751 174.6643 38 K 3.8745 7.9726 117.8517 57.5607 30.2792 174.4522 39 K 5.1736 8.0565 116.3467 54.7640 37.3731 177.3907 40 V 4.8465 8.7768 121.7984 61.6324 35.0712 173.7031 41 C 5.4047 9.0199 125.4409 58.1699 31.1582 172.9986 42 I 5.1890 9.1788 123.4885 59.7567 41.1552 173.9814 43 E 5.3720 9.1086 127.1509 54.5882 31.0138 175.1293 44 S 4.8843 8.4898 117.3278 58.1286 65.0078 174.7486 45 E 4.3843 8.9209 121.6725 57.4427 30.0675 177.0184 46 H 4.3156 7.8847 116.3143 55.3890 29.4837 175.9857 47 S 4.3999 8.4215 117.0642 58.3812 64.9068 175.0792 48 M 4.0010 8.5036 121.7081 59.0256 31.9419 178.1747 49 D 4.3323 7.9842 118.5430 57.5609 41.0703 178.7233 50 T 3.8628 7.9093 116.2718 66.5423 68.5378 176.8161 51 L 3.8910 7.9449 120.9167 57.6234 41.6073 179.2693 52 L 3.9245 8.2051 120.1451 58.2157 42.1906 178.8998 53 A 3.9618 8.1852 120.7382 55.4344 18.0360 179.7612 54 T 3.7894 7.5757 113.4813 66.7386 68.6525 176.6321 55 L 4.0321 7.7250 120.7459 57.5205 41.6300 179.5902 56 K 3.9853 8.2900 119.0314 59.1453 31.7858 179.2736 57 K 4.1356 7.7826 117.6714 59.3318 32.5026 178.7239 58 T 4.0421 7.4286 110.6331 62.9762 68.8609 175.4425 59 G 3.8912 8.0189 109.8027 45.1966 0.0000 173.4742 60 K 4.3873 7.2190 118.6943 55.1396 33.7930 176.2873 61 T 4.2809 8.1861 117.5709 63.4160 69.3117 174.0976 62 V 5.2263 8.3914 126.0788 61.2617 34.8974 174.5857 63 S 4.8543 8.8611 119.5430 57.1230 66.7574 172.2017 64 Y 4.4212 8.7413 123.3438 57.4606 38.9165 174.5624 65 L 4.3325 7.7668 126.3370 55.4248 43.9654 176.4583 66 G 3.7874 6.0245 103.7402 46.0157 0.0000 171.5900 67 L 5.3342 8.1598 120.7392 53.3858 45.4073 175.8567 68 E 4.2862 8.7200 122.2770 56.9941 29.5222 174.9427 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 8.30 4.44 0.00 2.01 2.17 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.58 0.00 2 P 0.00 4.17 0.00 2.26 1.95 0.00 3.85 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 3 K 9.32 4.81 0.00 1.82 1.83 0.00 1.71 0.00 0.00 1.95 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.47 7.81 4 H 9.46 5.20 0.00 3.40 3.12 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.20 4.94 0.00 1.58 1.68 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 2.13 2.09 0.00 6 F 9.34 5.30 0.00 2.95 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 7 S 9.10 5.24 0.00 3.89 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 8 V 8.33 4.69 2.08 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 0.77 0.00 0.00 0.92 0.00 0.00 9 D 8.81 4.71 0.00 2.76 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.05 4.53 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.48 0.00 11 T 8.19 4.56 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 1.24 0.00 0.00 12 C 7.52 4.64 0.00 3.07 3.03 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 13 G 8.69 3.77 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 0.00 0.00 0.00 14 G 8.06 3.68 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 0.00 0.00 0.00 15 C 7.94 4.15 0.00 3.21 2.97 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 16 A 7.88 3.96 1.35 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 0.00 0.00 17 E 8.32 3.87 0.00 2.06 2.08 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 2.30 2.33 0.00 18 A 7.94 3.97 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 19 V 7.56 3.42 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.93 0.00 0.00 20 S 7.83 3.64 0.00 4.14 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 21 R 7.81 3.91 0.00 2.04 1.99 0.00 3.11 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 22 V 7.53 3.66 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 1.03 0.00 0.00 0.92 0.00 0.00 23 L 7.62 3.99 0.00 1.49 1.67 0.45 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.04 4.46 0.00 2.92 2.93 0.00 0.00 7.00 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 25 K 7.82 4.09 0.00 1.76 1.98 0.00 1.79 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.44 7.81 26 L 7.43 4.05 0.00 1.57 1.82 0.80 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.65 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 28 G 8.63 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 29 V 7.74 4.88 2.25 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 0.88 0.00 0.00 1.11 0.00 0.00 30 K 8.81 4.56 0.00 1.68 1.60 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.28 1.34 7.81 31 Y 7.71 5.47 0.00 2.96 2.95 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 32 D 9.09 4.82 0.00 2.80 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.70 4.82 1.92 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.83 0.90 0.00 0.00 34 D 8.88 4.69 0.00 2.72 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 35 L 8.70 3.91 0.00 1.77 1.64 1.02 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.25 0.00 2.22 2.19 0.00 3.89 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.01 0.00 37 N 8.43 4.61 0.00 3.01 2.89 0.00 0.00 7.13 7.49 0.00 0.00 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 K 7.97 3.87 0.00 1.97 2.01 0.00 1.61 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.39 7.81 39 K 8.06 5.17 0.00 1.70 1.66 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.62 7.81 40 V 8.78 4.85 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 1.03 0.00 0.00 0.91 0.00 0.00 41 C 9.02 5.40 0.00 2.99 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 42 I 9.18 5.19 2.15 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.86 1.06 0.00 0.00 43 E 9.11 5.37 0.00 1.93 1.91 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 2.29 2.12 0.00 44 S 8.49 4.88 0.00 3.93 3.80 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 0.00 0.00 0.00 45 E 8.92 4.38 0.00 1.95 1.96 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 0.00 2.27 2.26 0.00 46 H 7.88 4.32 0.00 3.17 3.26 0.00 5.85 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.42 4.40 0.00 4.05 4.02 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.50 4.00 0.00 1.96 2.06 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 49 D 7.98 4.33 0.00 2.71 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 50 T 7.91 3.86 4.41 0.00 0.00 0.00 0.00 0.00 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 51 L 7.94 3.89 0.00 2.00 1.69 0.98 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.21 3.92 0.00 2.02 1.84 1.17 0.95 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 53 A 8.19 3.96 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 54 T 7.58 3.79 4.29 0.00 0.00 0.00 0.00 0.00 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 55 L 7.72 4.03 0.00 1.66 1.54 -0.01 0.45 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 56 K 8.29 3.99 0.00 1.88 1.85 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.63 1.57 7.81 57 K 7.78 4.14 0.00 1.92 1.92 0.00 1.57 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.62 1.40 7.81 58 T 7.43 4.04 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 1.19 0.00 0.00 59 G 8.02 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 0.00 0.00 0.00 60 K 7.22 4.39 0.00 1.68 1.73 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.76 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.37 7.81 61 T 8.19 4.28 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 62 V 8.39 5.23 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 0.94 0.00 0.00 0.95 0.00 0.00 63 S 8.86 4.85 0.00 3.98 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 64 Y 8.74 4.42 0.00 2.92 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 65 L 7.77 4.33 0.00 1.39 1.52 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 66 G 6.02 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 67 L 8.16 5.33 0.00 1.67 1.51 0.71 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.72 4.29 0.00 2.06 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 2.15 2.20 0.00