NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4719 8.3049 118.1944 55.3208 32.5137 175.5381 2 S 4.2041 8.2210 118.0394 56.5467 62.6129 172.8818 3 A 3.6749 8.4774 129.1987 51.1019 18.6949 177.2968 4 L 4.3062 7.8844 119.5855 54.6148 43.1040 174.7360 5 Q 3.3458 8.5308 125.1538 56.1659 25.5393 171.0577 6 P 4.6431 0.0000 0.0000 61.7555 32.2650 176.3402 7 S 4.4509 8.8025 118.2192 60.0332 63.2982 173.8522 8 R 4.7134 7.5135 116.6549 54.7413 35.0572 173.8429 9 S 5.1866 8.3306 115.9370 57.0149 66.4339 172.5808 10 Y 4.9739 9.2271 122.1164 56.3290 40.4965 175.5845 11 R 4.7903 9.1564 123.3640 55.3658 32.9502 175.9750 12 I 4.4821 8.6337 122.9379 60.5719 37.3965 176.4752 13 T 4.1056 8.7702 123.0783 62.4489 68.0700 175.1537 14 G 3.6912 7.0446 106.6490 46.3173 0.0000 170.6356 15 Y 4.8849 7.6682 116.7479 56.2810 39.7800 175.5962 16 S 4.7728 8.3269 116.5507 56.9488 63.8871 173.6311 17 P 4.3301 0.0000 0.0000 64.5136 31.2090 177.2546 18 A 4.3453 7.7899 119.5593 52.0218 19.1357 177.0906 19 I 3.8517 7.3342 117.9322 61.0711 38.6744 175.3313 20 S 4.6954 8.1652 122.1545 57.6078 66.9763 172.6153 21 N 4.3807 9.4692 117.0223 55.0168 37.0536 174.6461 22 G 3.8877 8.2271 100.9117 46.8316 0.0000 175.9208 23 Y 4.1402 7.7714 119.6330 60.3427 37.6561 178.1571 24 R 3.7190 7.9903 119.7066 59.4583 30.0525 178.3675 25 Q 4.1494 7.9439 117.7941 58.7517 28.6668 178.5926 26 R 3.9660 7.8924 119.4269 59.3795 30.2812 178.4471 27 L 4.1060 8.5417 119.3270 57.8031 41.8050 179.2113 28 F 4.2413 8.9222 121.0439 61.5290 39.1100 177.3147 29 S 4.1832 8.2777 113.8264 61.7022 62.7314 175.9704 30 M 4.3424 7.8772 119.2709 55.7634 31.9871 177.0380 31 G 3.6747 7.8195 106.8327 45.5980 0.0000 173.6053 32 L 4.5406 8.1539 121.2415 52.5498 41.9432 175.9802 33 L 5.0318 7.7482 122.2757 51.6063 43.7559 174.3137 34 P 4.3801 0.0000 0.0000 63.8480 31.6726 176.5172 35 G 3.9373 8.8284 110.6721 45.4731 0.0000 173.8329 36 A 4.5783 7.5956 120.5709 51.3050 20.7724 175.8485 37 A 5.0643 8.2151 118.6811 50.7473 22.5820 175.7864 38 L 4.8843 9.4481 120.7232 52.9067 45.4290 175.5533 39 R 4.8723 9.1172 125.1544 54.4280 31.8444 175.7850 40 V 3.9302 8.5360 127.3857 62.7141 31.8800 176.3989 41 V 4.2795 8.8817 126.1434 62.7813 32.2991 176.1627 42 R 4.5302 6.9367 117.0426 56.0747 30.7721 172.6716 43 I 4.7238 8.0242 119.2126 59.1585 40.0506 175.4975 44 A 4.2190 8.3263 127.2795 51.1784 18.8997 177.0476 45 P 4.3470 0.0000 0.0000 65.0953 31.9090 177.6350 46 L 4.0395 8.1452 118.9947 57.3543 40.9121 176.6187 47 G 3.8183 6.6295 112.4395 43.7293 0.0000 172.5349 48 D 4.3302 7.3646 114.9774 51.3860 41.8258 174.0337 49 P 5.1378 0.0000 0.0000 61.0745 34.1688 174.1181 50 I 4.3879 7.7318 119.2670 60.5796 40.5758 174.1544 51 Q 4.7810 8.9437 127.5333 55.2628 30.0674 175.9543 52 V 5.0681 9.0119 116.8503 60.1479 37.2020 173.4553 53 E 5.0434 9.3698 122.1734 54.9322 32.2259 176.3464 54 T 4.5637 7.9616 113.2414 62.1605 71.0610 174.2682 55 R 4.4525 8.7825 129.4525 56.8333 33.6756 175.0564 56 Q 4.5690 8.0212 110.3206 55.7478 31.7794 174.4650 57 T 4.6344 7.6057 114.5937 60.3523 70.6774 172.8752 58 S 4.6804 8.4729 122.8628 58.2642 64.3947 172.9937 59 L 4.9826 9.1928 123.0037 53.4344 45.5562 174.9480 60 A 5.8057 8.5695 124.3716 49.8371 22.6216 174.8604 61 L 4.3589 8.0794 118.6836 55.6654 43.9617 173.3633 62 R 4.7689 8.1853 117.4827 54.1665 33.2332 177.9244 63 R 3.8708 9.7015 117.8189 59.6092 28.9738 179.2930 64 K 3.9752 7.8417 117.9481 59.0568 32.4752 178.3470 65 D 4.3291 7.9306 118.0704 57.0080 41.1956 177.8678 66 L 3.9617 8.3298 121.1096 57.7786 41.8588 178.3284 67 A 4.1038 7.7461 119.0919 53.6256 18.6319 178.3222 68 L 4.4783 7.5936 118.0758 53.4251 42.1478 175.7782 69 L 5.2737 7.4402 118.7870 53.0600 45.4497 175.9437 70 T 4.5728 8.8111 118.3036 61.9636 70.7487 173.4306 71 L 5.1253 8.5480 126.1997 53.2073 44.4001 176.4684 72 V 4.4680 8.8554 115.2309 59.0151 34.7999 173.9692 73 P 4.6113 0.0000 0.0000 62.0391 31.8405 176.9240 74 L 4.0777 8.2181 121.7243 57.6482 41.7204 177.6321 75 D 4.3045 7.5506 120.7917 54.5011 41.8890 175.1739 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 4.47 0.00 2.14 2.14 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 2.46 2.57 0.00 2 S 8.22 4.20 0.00 3.92 3.82 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 0.00 0.00 0.00 3 A 8.48 3.67 1.34 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 0.00 0.00 4 L 7.88 4.31 0.00 1.54 1.55 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 8.53 3.35 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 6 P 0.00 4.64 0.00 2.04 2.01 0.00 3.71 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 7 S 8.80 4.45 0.00 3.84 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 0.00 8 R 7.51 4.71 0.00 1.64 1.22 0.00 3.09 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00 9 S 8.33 5.19 0.00 3.66 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 10 Y 9.23 4.97 0.00 2.85 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 11 R 9.16 4.79 0.00 1.83 1.91 0.00 3.10 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 12 I 8.63 4.48 1.92 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 1.08 0.60 0.76 0.00 0.00 13 T 8.77 4.11 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 1.25 0.00 0.00 14 G 7.04 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 7.67 4.88 0.00 3.04 2.99 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 16 S 8.33 4.77 0.00 4.03 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 0.00 17 P 0.00 4.33 0.00 2.08 2.16 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 18 A 7.79 4.35 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 19 I 7.33 3.85 1.94 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.93 1.01 0.00 0.00 20 S 8.17 4.70 0.00 3.97 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.47 4.38 0.00 2.81 2.75 0.00 0.00 6.87 7.87 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 22 G 8.23 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 23 Y 7.77 4.14 0.00 3.22 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 24 R 7.99 3.72 0.00 1.55 1.71 0.00 2.89 0.00 0.00 2.98 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.50 0.00 25 Q 7.94 4.15 0.00 2.36 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.53 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 26 R 7.89 3.97 0.00 1.97 2.34 0.00 3.30 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.92 0.00 27 L 8.54 4.11 0.00 2.13 1.97 1.17 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.92 4.24 0.00 3.25 3.26 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 29 S 8.28 4.18 0.00 4.14 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 30 M 7.88 4.34 0.00 2.03 2.27 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.57 0.00 31 G 7.82 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.15 4.54 0.00 1.79 1.68 0.98 0.81 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 33 L 7.75 5.03 0.00 1.93 1.93 1.01 0.88 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 34 P 0.00 4.38 0.00 2.05 2.03 0.00 3.71 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.74 0.00 35 G 8.83 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 0.00 0.00 0.00 36 A 7.60 4.58 1.26 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 0.00 0.00 37 A 8.22 5.06 1.18 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 0.00 0.00 0.00 38 L 9.45 4.88 0.00 1.59 1.57 0.91 0.42 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 39 R 9.12 4.87 0.00 1.85 1.92 0.00 3.10 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 40 V 8.54 3.93 2.29 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 0.80 0.00 0.00 0.98 0.00 0.00 41 V 8.88 4.28 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 0.80 0.00 0.00 0.91 0.00 0.00 42 R 6.94 4.53 0.00 2.04 2.01 0.00 2.96 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.42 0.00 43 I 8.02 4.72 1.84 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 1.47 0.64 0.97 0.00 0.00 44 A 8.33 4.22 1.25 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 0.00 0.00 0.00 45 P 0.00 4.35 0.00 2.18 2.20 0.00 3.79 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 1.98 1.98 0.00 46 L 8.15 4.04 0.00 1.65 1.79 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 47 G 6.63 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 48 D 7.36 4.33 0.00 2.71 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 49 P 0.00 5.14 0.00 2.15 2.08 0.00 3.75 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 1.86 1.93 0.00 50 I 7.73 4.39 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.58 0.86 0.00 0.00 51 Q 8.94 4.78 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 52 V 9.01 5.07 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 0.69 0.00 0.00 0.98 0.00 0.00 53 E 9.37 5.04 0.00 1.92 1.75 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 2.18 2.43 0.00 54 T 7.96 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 1.21 0.00 0.00 55 R 8.78 4.45 0.00 1.69 1.92 0.00 3.27 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.44 0.00 56 Q 8.02 4.57 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.44 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 57 T 7.61 4.63 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 1.20 0.00 0.00 58 S 8.47 4.68 0.00 3.95 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 59 L 9.19 4.98 0.00 1.61 1.48 0.91 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.57 5.81 1.18 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 0.00 0.00 0.00 61 L 8.08 4.36 0.00 1.82 1.76 0.89 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.19 4.77 0.00 1.70 1.94 0.00 3.28 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.52 0.00 63 R 9.70 3.87 0.00 1.96 2.31 0.00 2.75 0.00 0.00 3.39 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 64 K 7.84 3.98 0.00 1.70 1.84 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.46 7.81 65 D 7.93 4.33 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 66 L 8.33 3.96 0.00 1.82 1.78 0.86 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.75 4.10 1.34 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 0.00 0.00 68 L 7.59 4.48 0.00 1.84 1.73 0.34 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.44 5.27 0.00 1.56 1.47 0.90 0.73 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 70 T 8.81 4.57 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 1.21 0.00 0.00 71 L 8.55 5.13 0.00 1.52 1.64 0.82 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.86 4.47 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.94 0.00 0.00 73 P 0.00 4.61 0.00 1.96 1.45 0.00 3.72 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 2.09 2.41 0.00 74 L 8.22 4.08 0.00 1.52 1.66 0.85 0.68 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 75 D 7.55 4.30 0.00 2.51 2.44 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