NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0534 8.3393 109.7360 44.9768 0.0000 174.3194 2 R 4.5834 9.6843 120.5408 54.2029 25.7839 172.0362 3 Q 3.6124 9.8217 126.8789 54.9517 29.7990 173.8834 4 F 4.0964 8.8390 121.6052 58.4389 39.7285 175.9904 5 G 4.1070 9.6281 112.1598 45.8362 0.0000 173.5747 6 H 5.0363 7.5207 115.4328 55.6030 29.5684 174.7289 7 L 4.1128 7.4470 119.8392 55.7790 42.1397 178.8795 8 T 4.4618 7.1699 115.4470 61.5290 70.6790 172.4147 9 R 4.5074 8.2908 121.8846 54.7440 31.2560 175.8709 10 V 4.4436 8.0670 123.6951 61.4410 34.5407 174.0516 11 R 4.4565 7.9807 124.8755 55.8372 33.4674 174.7955 12 H 4.1267 8.7166 116.1230 56.4210 26.1183 174.4489 13 V 4.2634 7.6337 119.2493 61.1565 32.5027 175.1989 14 I 4.0935 8.1457 127.9994 60.5288 38.2499 175.7608 15 T 4.3901 7.8118 119.4164 61.9143 70.3535 173.0877 16 Y 4.3553 8.5411 124.8809 57.2204 38.6748 175.4633 17 S 4.8643 8.4650 119.4695 56.5836 67.1869 172.8607 18 L 4.6971 8.0943 121.8801 52.8831 44.7859 175.7677 19 S 4.1613 8.8682 120.0996 58.0994 62.5453 173.1380 20 P 4.1331 0.0000 0.0000 65.6128 30.9274 176.8094 21 F 4.4272 8.2365 115.8605 57.6845 38.6663 175.6981 22 E 4.6782 8.9016 119.4589 55.7889 30.6794 175.2163 23 Q 4.6925 7.7224 115.9010 53.7855 31.1970 174.5537 24 R 4.2802 8.1536 114.3481 54.9764 30.6477 177.5715 25 A 3.7904 8.4482 123.8119 54.0491 18.5557 177.3739 26 F 4.6354 7.1922 113.9303 54.7519 40.4527 174.8070 27 P 4.5977 0.0000 0.0000 62.1837 32.1865 177.2351 28 H 4.5285 8.4405 111.9298 57.2006 26.9093 174.8559 29 Y 4.1228 8.3032 124.4549 60.3059 39.5682 177.9729 30 F 4.4061 8.0433 117.2283 60.5574 39.6198 177.2514 31 S 4.0269 8.6144 110.7768 63.3537 62.5510 176.3026 32 K 4.2726 8.0382 126.3196 59.6904 32.7909 178.5305 33 G 3.9523 7.9526 107.7000 46.6404 0.0000 175.0333 34 I 3.6329 8.1123 119.3430 63.0968 38.3729 176.4310 35 P 4.2475 0.0000 0.0000 65.9522 31.0922 178.1965 36 N 4.3400 8.0293 114.6919 56.3468 38.5906 177.9400 37 V 3.7064 7.6376 119.8817 64.4380 31.4753 178.3427 38 L 3.9031 7.9653 119.9383 57.8428 41.5986 178.9914 39 R 3.9484 7.9706 118.5499 59.8710 29.6006 178.7319 40 R 3.9545 7.8087 116.8751 59.3683 30.3602 178.8586 41 T 4.0068 7.7425 115.3463 66.5310 68.4706 176.4492 42 R 3.8536 8.5377 120.7727 59.7687 29.8463 178.3596 43 A 4.1882 7.9496 118.6387 54.1626 18.6179 178.1096 44 C 4.7128 8.2812 111.5226 57.7846 30.6174 175.8375 45 I 3.6819 7.3469 115.4426 64.5032 36.8876 177.7511 46 L 4.2395 7.8278 117.5787 55.2815 41.4117 177.8820 47 R 4.4389 7.6526 117.1799 57.5329 32.0401 177.7864 48 V 3.8523 7.6189 116.1460 65.6774 32.0954 177.3789 49 A 4.2849 8.1937 120.6802 55.0881 18.2579 177.5169 50 P 4.2274 0.0000 0.0000 65.6374 31.4539 176.7406 51 P 4.3830 0.0000 0.0000 64.3824 31.2820 178.3380 52 F 4.6512 8.1292 117.3184 60.2612 38.9549 178.2070 53 V 3.8864 7.9788 111.6032 63.9622 31.3466 177.8590 54 A 4.0480 8.0434 120.8041 55.5492 18.1191 179.4330 55 F 4.1986 8.5111 118.5761 61.6011 39.5094 176.3600 56 Y 3.9489 8.5683 119.5676 61.0704 38.4841 178.2439 57 L 4.1746 8.9244 119.9516 57.8660 41.8826 179.4188 58 V 3.7917 7.6991 118.3317 66.2825 31.3557 177.7655 59 Y 3.8564 7.7924 119.5836 60.8763 38.7339 177.7706 60 T 3.2391 7.5602 110.5519 63.8772 68.7240 176.4639 61 W 4.0280 8.7960 131.9505 60.3682 30.6876 178.4045 62 G 3.5589 8.3330 105.3989 47.5960 0.0000 175.9801 63 T 3.8415 7.3923 117.6750 66.6326 68.5161 176.7467 64 Q 3.7749 7.5516 119.6596 59.0031 28.7776 178.4288 65 E 3.5242 7.5104 120.3007 59.1780 29.1591 178.6694 66 F 4.1462 7.3923 119.3451 61.5270 39.8335 176.7789 67 E 3.6264 7.8280 117.6790 58.9120 28.9705 179.1978 68 K 3.9952 7.6295 117.4149 58.3877 32.3374 178.5142 69 S 4.2848 7.5780 111.8149 59.0487 62.5674 174.1149 70 K 4.5156 7.1321 119.8950 56.5477 32.4352 175.6825 71 R 4.6744 7.4925 115.6191 54.8637 34.3591 174.0473 72 K 4.4722 8.0468 118.0675 55.7187 35.0733 173.1135 73 N 4.5534 8.3280 118.6680 53.6060 40.8862 174.6268 74 P 4.4434 0.0000 0.0000 61.6129 33.6466 176.3443 75 A 4.0817 8.4511 120.9466 53.0409 18.6327 177.0448 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 8.34 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.68 4.58 0.00 2.05 1.42 0.00 3.13 0.00 0.00 3.19 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.68 0.00 3 Q 9.82 3.61 0.00 2.34 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 7.13 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 4 F 8.84 4.10 0.00 2.96 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 5 G 9.63 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 H 7.52 5.04 0.00 3.07 3.21 0.00 5.67 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 7.45 4.11 0.00 1.53 1.45 0.26 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.17 4.46 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 1.19 0.00 0.00 9 R 8.29 4.51 0.00 1.79 1.79 0.00 3.25 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 1.52 1.58 0.00 10 V 8.07 4.44 2.07 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 0.85 0.00 0.00 0.92 0.00 0.00 11 R 7.98 4.46 0.00 1.46 1.34 0.00 3.34 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.00 12 H 8.72 4.13 0.00 3.34 3.43 0.00 5.67 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 13 V 7.63 4.26 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 0.83 0.00 0.00 0.94 0.00 0.00 14 I 8.15 4.09 1.83 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.70 0.32 0.00 0.00 15 T 7.81 4.39 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 16 Y 8.54 4.36 0.00 2.96 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 17 S 8.46 4.86 0.00 3.81 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 8.09 4.70 0.00 1.54 1.50 0.95 0.89 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 19 S 8.87 4.16 0.00 3.92 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 20 P 0.00 4.13 0.00 2.13 2.18 0.00 3.92 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 2.35 2.12 0.00 21 F 8.24 4.43 0.00 2.94 3.14 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 0.00 0.00 0.00 0.00 22 E 8.90 4.68 0.00 2.04 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 2.28 2.26 0.00 23 Q 7.72 4.69 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.85 0.00 0.00 0.00 0.00 0.00 2.34 2.26 0.00 24 R 8.15 4.28 0.00 2.02 2.08 0.00 2.93 0.00 0.00 3.41 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 25 A 8.45 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 7.19 4.64 0.00 3.04 2.75 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 27 P 0.00 4.60 0.00 2.08 1.94 0.00 3.75 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 28 H 8.44 4.53 0.00 3.33 3.34 0.00 5.82 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 8.30 4.12 0.00 2.86 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 0.00 0.00 0.00 0.00 30 F 8.04 4.41 0.00 3.17 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 31 S 8.61 4.03 0.00 3.93 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 32 K 8.04 4.27 0.00 1.88 1.88 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.42 7.81 33 G 7.95 3.95 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 0.00 0.00 0.00 34 I 8.11 3.63 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 1.53 1.32 1.07 0.00 0.00 35 P 0.00 4.25 0.00 2.19 2.11 0.00 3.63 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.21 0.00 36 N 8.03 4.34 0.00 3.04 2.85 0.00 0.00 6.79 8.08 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 37 V 7.64 3.71 2.07 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 0.88 0.00 0.00 0.93 0.00 0.00 38 L 7.97 3.90 0.00 1.93 1.75 0.92 0.64 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 39 R 7.97 3.95 0.00 2.05 2.07 0.00 3.09 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 40 R 7.81 3.95 0.00 2.10 1.97 0.00 3.22 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 41 T 7.74 4.01 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 1.22 0.00 0.00 42 R 8.54 3.85 0.00 1.98 2.09 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 43 A 7.95 4.19 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 44 C 8.28 4.71 0.00 3.11 3.15 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 0.00 45 I 7.35 3.68 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.89 0.93 0.00 0.00 46 L 7.83 4.24 0.00 1.64 1.76 0.92 0.84 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 47 R 7.65 4.44 0.00 1.90 1.94 0.00 3.21 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 48 V 7.62 3.85 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 0.98 0.00 0.00 1.04 0.00 0.00 49 A 8.19 4.28 1.44 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 50 P 0.00 4.23 0.00 2.16 2.14 0.00 3.62 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.22 0.00 51 P 0.00 4.38 0.00 1.60 1.87 0.00 3.68 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.04 0.00 52 F 8.13 4.65 0.00 3.32 3.15 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 0.00 53 V 7.98 3.89 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 0.87 0.00 0.00 0.97 0.00 0.00 54 A 8.04 4.05 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.51 4.20 0.00 3.16 3.43 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 56 Y 8.57 3.95 0.00 3.32 3.11 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 0.00 0.00 0.00 0.00 57 L 8.92 4.17 0.00 1.75 1.77 0.96 1.14 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 7.70 3.79 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 1.03 0.00 0.00 0.95 0.00 0.00 59 Y 7.79 3.86 0.00 2.17 2.49 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 0.00 0.00 0.00 0.00 60 T 7.56 3.24 4.04 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 0.00 0.00 0.00 0.71 0.00 0.00 61 W 8.80 4.03 0.00 3.33 3.23 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 62 G 8.33 3.56 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 0.00 0.00 0.00 63 T 7.39 3.84 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 1.04 0.00 0.00 64 Q 7.55 3.77 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 65 E 7.51 3.52 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 1.77 2.09 0.00 66 F 7.39 4.15 0.00 2.92 3.23 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 67 E 7.83 3.63 0.00 2.02 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.31 0.00 68 K 7.63 4.00 0.00 1.67 1.75 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.31 7.81 69 S 7.58 4.28 0.00 3.93 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 70 K 7.13 4.52 0.00 1.56 1.59 0.00 1.22 0.00 0.00 1.42 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.25 1.11 7.81 71 R 7.49 4.67 0.00 1.66 1.72 0.00 3.15 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.67 0.00 72 K 8.05 4.47 0.00 1.61 1.60 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.63 7.81 73 N 8.33 4.55 0.00 2.66 2.53 0.00 0.00 7.05 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 4.44 0.00 2.07 1.98 0.00 3.87 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 75 A 8.45 4.08 1.28 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 0.00 0.00