NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8547 8.3549 109.7371 45.9227 0.0000 171.0887 2 R 4.2082 8.7380 118.1540 54.9060 28.2407 176.0504 3 Q 3.7050 8.6746 116.2797 55.4703 28.3440 171.5838 4 F 4.5690 8.9252 116.0957 57.7837 42.3006 174.6335 5 G 4.1167 9.2118 112.8611 45.9589 0.0000 173.6576 6 H 4.9401 7.8520 114.6486 55.4454 29.4485 174.6492 7 L 4.0568 7.3891 120.1245 56.3053 42.0117 178.2694 8 T 4.4486 7.1184 113.3580 61.3387 70.6845 172.4643 9 R 4.4593 8.3387 122.6819 54.5817 30.9061 175.4594 10 V 4.4919 8.1592 124.1140 60.9989 34.5860 174.5701 11 R 4.3583 7.9280 124.0362 55.7501 33.9084 174.9273 12 H 3.9847 8.7420 117.8189 56.7700 25.5549 175.8737 13 V 4.2892 7.2604 116.4172 61.2759 34.1995 174.3170 14 I 4.1073 8.1776 127.9059 60.4428 38.3900 175.8878 15 T 4.3366 7.6351 118.7416 62.0763 70.8240 173.2053 16 Y 4.4838 8.3894 124.5115 57.1344 39.0484 175.3072 17 S 4.8761 8.4061 118.4667 56.7317 67.2051 172.9366 18 L 4.7892 8.0658 121.8183 52.9530 45.1089 175.9412 19 S 4.3165 8.5958 119.6714 57.5379 62.9339 173.3229 20 P 4.2482 0.0000 0.0000 65.4636 31.0319 176.9143 21 F 4.4332 8.0200 115.8095 57.8272 38.9369 175.7078 22 E 4.7300 8.3686 119.3262 55.7409 30.1837 175.0196 23 Q 4.6173 7.7054 116.1846 54.4193 31.9636 173.9226 24 R 4.4183 8.2256 114.2527 54.7436 30.8884 176.7026 25 A 3.8990 8.3542 123.0035 54.1445 19.1617 177.7699 26 F 4.9903 7.5228 112.8682 55.2921 39.6849 173.6752 27 P 4.5715 0.0000 0.0000 63.3209 33.0585 174.6293 28 H 4.2085 8.1156 114.1680 57.5089 28.5649 174.8345 29 Y 3.9049 9.8180 126.6722 60.5776 39.5887 177.7252 30 F 4.1057 8.4403 117.6801 59.6819 39.1861 177.1483 31 S 4.2486 7.7216 114.6874 62.1305 63.0326 176.1419 32 K 4.2123 8.2068 124.5374 59.9052 32.7553 178.7801 33 G 3.9113 7.9253 107.0832 47.1865 0.0000 175.0142 34 I 3.5866 7.6282 120.5124 63.1404 38.1342 176.2754 35 P 4.2419 0.0000 0.0000 65.8389 31.0069 178.2488 36 N 4.2995 7.9651 114.5212 56.5170 38.4757 177.9450 37 V 3.5942 7.6685 113.1868 64.2472 31.5275 178.5318 38 L 4.2477 7.9816 120.3123 57.2444 41.4675 179.4795 39 R 3.8853 8.0836 118.7752 59.4117 29.8195 178.8483 40 R 3.9726 8.2930 118.4746 59.1666 29.9799 179.0922 41 T 3.8738 8.0793 109.7517 64.8710 68.5413 176.5264 42 R 3.8769 8.0290 120.1679 59.0735 30.2581 178.6980 43 A 4.1341 7.9837 118.8711 54.3489 18.5675 178.3763 44 C 4.5417 7.6773 111.7029 59.0645 30.8346 175.8647 45 I 3.6708 7.8312 123.0926 64.8218 36.6117 177.8332 46 L 4.0511 7.9601 117.4370 57.0315 41.5721 178.5367 47 R 4.4812 7.7229 116.1154 56.8564 30.6005 177.6319 48 V 3.9524 7.9649 117.8907 65.2762 31.8782 177.4119 49 A 3.9592 8.2426 120.4100 55.2123 18.1583 177.4435 50 P 4.1876 0.0000 0.0000 65.5491 31.4164 176.7031 51 P 4.1797 0.0000 0.0000 65.9478 31.1913 178.6094 52 F 4.2321 7.6857 114.8561 60.8288 38.9378 178.2560 53 V 3.8844 8.0595 111.6392 64.2048 31.2664 178.3589 54 A 4.0901 8.3777 120.9802 55.1816 18.0948 179.5408 55 F 4.2135 8.1954 118.7363 61.5814 39.4353 176.4057 56 Y 3.9277 8.8201 119.6544 60.9556 38.4017 178.5193 57 L 4.1524 8.7744 119.7430 57.9818 41.7688 179.5076 58 V 3.6328 7.9067 118.1729 66.1584 31.4151 177.3722 59 Y 3.8091 8.4985 120.2087 60.9421 38.6306 178.3168 60 T 3.7415 7.7264 110.6063 64.2124 68.9152 176.3627 61 W 4.0006 8.5249 131.4633 60.2882 30.3371 177.9395 62 G 3.8350 8.7019 106.0922 48.4329 0.0000 175.6696 63 T 3.8224 7.4967 117.3971 66.1897 68.4644 176.9551 64 Q 3.8124 7.6835 119.9546 58.9717 28.7752 178.5663 65 E 3.5666 7.2541 120.0202 59.1430 29.2445 178.3110 66 F 4.0945 7.3400 118.5385 61.6326 39.8038 176.5676 67 E 3.7014 8.4292 118.0602 59.2141 29.1172 179.3523 68 K 3.9627 8.1064 118.4987 58.7994 32.5176 178.4450 69 S 4.2263 7.7074 113.6076 60.5231 62.0592 174.4323 70 K 4.2026 7.0998 119.5179 56.5503 31.8521 176.4767 71 R 4.6483 7.4170 116.3771 54.3723 34.3595 174.6268 72 K 4.3021 7.7787 117.1306 56.3095 36.1266 171.8519 73 N 4.4588 9.0736 125.5401 53.9181 36.7811 176.2174 74 P 4.4042 0.0000 0.0000 61.9528 33.0410 175.8889 75 A 4.0625 8.4374 120.9576 53.1102 18.5978 177.2009 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 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 2 R 8.74 4.21 0.00 2.00 2.25 0.00 3.49 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.64 0.00 3 Q 8.67 3.71 0.00 2.29 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.71 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 4 F 8.93 4.57 0.00 2.87 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 5 G 9.21 4.12 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 0.00 0.00 0.00 6 H 7.85 4.94 0.00 3.10 3.22 0.00 5.72 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 7.39 4.06 0.00 1.51 1.49 0.38 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.12 4.45 4.21 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 1.18 0.00 0.00 9 R 8.34 4.46 0.00 1.79 1.80 0.00 3.22 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 10 V 8.16 4.49 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 0.88 0.00 0.00 0.91 0.00 0.00 11 R 7.93 4.36 0.00 1.65 1.22 0.00 3.37 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.54 0.00 12 H 8.74 3.98 0.00 3.31 3.33 0.00 5.64 0.00 0.00 0.00 0.00 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.26 4.29 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 0.82 0.00 0.00 0.98 0.00 0.00 14 I 8.18 4.11 1.68 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.65 0.23 0.00 0.00 15 T 7.64 4.34 4.15 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 0.00 0.00 0.00 1.20 0.00 0.00 16 Y 8.39 4.48 0.00 2.95 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 17 S 8.41 4.88 0.00 3.82 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 18 L 8.07 4.79 0.00 1.55 1.49 0.95 0.91 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 19 S 8.60 4.32 0.00 3.94 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 20 P 0.00 4.25 0.00 2.08 2.15 0.00 3.92 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 2.30 2.10 0.00 21 F 8.02 4.43 0.00 2.94 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 22 E 8.37 4.73 0.00 2.08 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 2.27 2.27 0.00 23 Q 7.71 4.62 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.30 0.00 24 R 8.23 4.42 0.00 1.97 1.98 0.00 3.03 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 25 A 8.35 3.90 0.79 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 26 F 7.52 4.99 0.00 2.93 2.85 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 0.00 0.00 0.00 27 P 0.00 4.57 0.00 2.25 2.02 0.00 3.70 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.23 0.00 28 H 8.12 4.21 0.00 3.28 3.37 0.00 5.81 0.00 0.00 0.00 0.00 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 9.82 3.90 0.00 3.08 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 30 F 8.44 4.11 0.00 3.16 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 31 S 7.72 4.25 0.00 3.96 3.85 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 0.00 0.00 0.00 32 K 8.21 4.21 0.00 1.87 1.84 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.38 7.81 33 G 7.93 3.91 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 0.00 0.00 0.00 34 I 7.63 3.59 1.84 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.30 1.00 0.00 0.00 35 P 0.00 4.24 0.00 2.17 2.09 0.00 3.64 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 2.19 2.19 0.00 36 N 7.97 4.30 0.00 2.89 2.81 0.00 0.00 7.02 7.93 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 37 V 7.67 3.59 2.03 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 0.80 0.00 0.00 0.90 0.00 0.00 38 L 7.98 4.25 0.00 1.87 1.70 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.08 3.89 0.00 2.00 2.03 0.00 3.08 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 40 R 8.29 3.97 0.00 2.03 1.95 0.00 3.16 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 41 T 8.08 3.87 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 1.20 0.00 0.00 42 R 8.03 3.88 0.00 1.99 2.05 0.00 3.16 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 43 A 7.98 4.13 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 44 C 7.68 4.54 0.00 3.13 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 45 I 7.83 3.67 1.88 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 1.63 0.80 0.91 0.00 0.00 46 L 7.96 4.05 0.00 1.62 1.75 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.72 4.48 0.00 1.86 1.96 0.00 3.21 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 48 V 7.96 3.95 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 1.18 0.00 0.00 1.04 0.00 0.00 49 A 8.24 3.96 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 50 P 0.00 4.19 0.00 2.18 2.15 0.00 3.68 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.22 0.00 51 P 0.00 4.18 0.00 1.85 1.94 0.00 3.84 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 52 F 7.69 4.23 0.00 3.34 3.19 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 53 V 8.06 3.88 2.02 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 0.81 0.00 0.00 0.96 0.00 0.00 54 A 8.38 4.09 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 55 F 8.20 4.21 0.00 3.08 3.32 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 56 Y 8.82 3.93 0.00 3.08 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 57 L 8.77 4.15 0.00 1.77 1.81 0.98 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 58 V 7.91 3.63 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 1.14 0.00 0.00 1.00 0.00 0.00 59 Y 8.50 3.81 0.00 2.13 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 60 T 7.73 3.74 4.21 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 1.09 0.00 0.00 61 W 8.52 4.00 0.00 3.46 3.28 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 0.00 62 G 8.70 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 7.50 3.82 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 1.15 0.00 0.00 64 Q 7.68 3.81 0.00 1.95 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 65 E 7.25 3.57 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 2.06 2.18 0.00 66 F 7.34 4.09 0.00 2.85 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 67 E 8.43 3.70 0.00 1.94 1.86 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 2.24 2.39 0.00 68 K 8.11 3.96 0.00 1.80 1.72 0.00 1.73 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.35 7.81 69 S 7.71 4.23 0.00 3.96 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 70 K 7.10 4.20 0.00 1.65 1.63 0.00 0.91 0.00 0.00 1.42 0.00 0.00 2.84 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.27 1.04 7.81 71 R 7.42 4.65 0.00 1.81 1.72 0.00 3.14 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.44 0.00 72 K 7.78 4.30 0.00 1.63 1.59 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.14 1.22 7.81 73 N 9.07 4.46 0.00 2.70 2.20 0.00 0.00 7.09 7.69 0.00 0.00 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 4.40 0.00 2.07 1.99 0.00 3.87 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 2.01 2.07 0.00 75 A 8.44 4.06 1.29 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 0.00 0.00 0.00