NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4435 8.3349 115.3010 57.6930 63.6313 173.3719 8 D 4.7370 8.5517 127.2009 53.6583 42.0042 174.5007 9 F 5.1734 9.1742 115.5524 56.0529 41.7497 173.2797 10 V 4.4438 9.0731 112.3507 59.4846 35.5120 174.8644 11 V 4.8795 8.4259 123.4512 61.3826 34.0018 174.6735 12 I 4.9478 8.7701 127.5851 59.6515 41.1179 173.8928 13 K 4.9787 9.4525 129.4183 54.2778 34.4025 175.0600 14 A 4.3820 8.6557 129.9974 52.0164 19.2853 177.3674 15 L 4.8570 8.8337 122.2371 54.3613 42.4956 175.8872 16 E 4.6752 7.6793 115.8114 54.9388 32.3093 174.3721 17 D 4.5051 8.3860 119.4108 55.5275 41.3415 176.5219 18 G 3.8070 8.6614 109.6300 46.4820 0.0000 174.0125 19 V 4.0208 7.9462 119.6475 62.4950 33.2047 174.3492 20 N 5.4301 8.8406 124.0214 51.4221 41.8135 173.4366 21 V 4.5982 8.7006 123.9314 61.2757 33.8074 174.2029 22 I 4.7068 8.7479 129.7133 59.3496 40.0451 174.9946 23 G 4.0501 8.9659 115.7760 45.4756 0.0000 172.4190 24 L 5.3269 8.9287 127.2907 53.5287 43.6324 176.4641 25 T 4.6658 8.8904 115.1969 61.5117 69.3585 174.4499 26 R 4.3265 8.0403 126.9866 56.7650 30.9092 175.1703 27 G 3.7554 8.8184 110.0249 43.9285 0.0000 172.9697 28 A 4.1015 8.6457 121.5873 54.4828 18.5944 177.9000 29 D 4.8451 7.8536 113.9963 53.0962 42.6570 176.3076 30 T 4.6782 8.3676 119.7068 61.9012 69.9837 173.1769 31 R 4.7634 9.1862 123.2355 54.0074 33.8613 174.1131 32 F 5.8127 7.7319 114.4962 54.8744 38.3858 175.6685 33 H 4.4761 8.9653 120.5127 58.1736 29.2044 174.9978 34 H 4.9911 7.5154 117.9868 54.6147 33.5211 172.2332 35 S 4.8836 8.1850 118.4242 56.4469 64.9067 172.5645 36 E 4.3061 8.9035 129.2082 55.4289 30.8317 174.9524 37 K 4.8561 8.5661 127.9070 55.4025 33.8219 175.3983 38 L 5.0847 9.1313 126.3337 53.1970 45.2966 175.8206 39 D 5.1774 9.3062 123.1506 51.9671 43.9622 175.4072 40 K 3.9694 9.1352 121.6031 60.0853 31.9699 175.7669 41 G 4.1310 8.9651 115.6669 45.5382 0.0000 173.4300 42 E 4.1948 8.2350 118.9878 56.7417 30.7873 176.4645 43 V 4.9242 8.2291 121.1703 61.1129 34.6372 174.1773 44 L 4.8022 8.9467 129.5070 53.2932 44.9151 175.0229 45 I 5.1033 8.4714 125.4792 59.6675 39.6065 174.5619 46 A 4.7658 8.9480 129.2822 50.0870 21.6716 175.2402 47 Q 4.8893 8.6875 121.1770 55.0129 30.3994 175.8396 48 F 4.5208 8.4696 121.1525 57.8313 39.8895 174.9915 49 T 4.7603 8.8957 111.5950 59.6885 71.8840 174.0885 50 E 4.0490 8.8894 121.1394 58.7139 29.6651 176.4958 51 H 4.9170 8.1968 113.2609 55.6736 32.2638 173.0697 52 T 5.2117 8.6136 116.3096 61.8476 70.6480 174.6381 53 S 5.1518 8.9972 120.0583 58.0259 64.7988 173.3816 54 A 5.1374 7.8314 120.8610 51.3742 22.4726 175.2802 55 I 4.9132 8.4652 120.7191 59.3188 40.6460 174.7073 56 K 4.5568 8.9357 128.2363 54.4567 34.7545 174.6846 57 V 4.9820 8.3599 126.6199 60.9958 33.9117 174.6389 58 R 4.5608 8.8533 123.5108 55.6265 32.6061 175.6342 59 G 4.1157 9.0055 107.8205 44.3610 0.0000 172.8965 60 K 4.3326 9.0946 121.2820 56.6562 33.0191 175.6405 61 A 5.1738 8.9134 128.3553 50.8285 23.4468 173.7915 62 Y 4.7708 9.4693 122.4832 56.3544 40.6528 174.5104 63 I 4.9349 7.9615 127.0085 59.4725 41.1738 174.3475 64 Q 4.8375 9.0100 125.6349 54.2361 31.4710 174.8982 65 T 4.7932 8.1716 112.8957 59.1546 72.1672 174.9838 66 R 3.8231 8.5715 121.3548 59.4615 29.9299 176.5966 67 H 4.5578 7.4555 112.0490 55.3403 29.3546 173.7261 68 G 3.6884 8.0107 106.2455 43.7788 0.0000 173.1567 69 V 4.1761 7.9071 111.8770 61.1270 32.4571 176.2389 70 I 4.5679 8.4141 123.7180 59.3336 41.8725 172.9802 71 E 5.1052 8.7269 129.5406 54.4546 31.3048 175.4449 72 S 4.6332 8.9650 122.1318 57.6670 65.4223 174.4413 73 E 4.2583 8.3965 119.3047 56.7290 30.1860 175.8639 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 7 S 8.33 4.44 0.00 3.90 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 8 D 8.55 4.74 0.00 2.81 2.79 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 9 F 9.17 5.17 0.00 3.13 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 10 V 9.07 4.44 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 0.65 0.00 0.00 0.82 0.00 0.00 11 V 8.43 4.88 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 1.14 0.00 0.00 1.11 0.00 0.00 12 I 8.77 4.95 1.87 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 0.56 0.90 0.00 0.00 13 K 9.45 4.98 0.00 1.86 1.82 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.39 7.81 14 A 8.66 4.38 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 15 L 8.83 4.86 0.00 1.53 1.70 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.68 4.68 0.00 2.02 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 2.33 0.00 17 D 8.39 4.51 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.66 3.81 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 0.00 0.00 0.00 19 V 7.95 4.02 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 0.79 0.00 0.00 1.00 0.00 0.00 20 N 8.84 5.43 0.00 2.60 2.60 0.00 0.00 6.41 7.84 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 21 V 8.70 4.60 2.05 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 0.91 0.00 0.00 0.89 0.00 0.00 22 I 8.75 4.71 1.55 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.32 0.56 0.00 0.00 23 G 8.97 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 24 L 8.93 5.33 0.00 1.87 1.70 0.94 0.45 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 25 T 8.89 4.67 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 26 R 8.04 4.33 0.00 1.90 1.98 0.00 3.25 0.00 0.00 3.08 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.45 0.00 27 G 8.82 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.65 4.10 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.85 4.85 0.00 2.68 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 30 T 8.37 4.68 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 1.30 0.00 0.00 31 R 9.19 4.76 0.00 1.60 1.91 0.00 2.68 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 32 F 7.73 5.81 0.00 3.06 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 33 H 8.97 4.48 0.00 3.30 3.54 0.00 5.72 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 34 H 7.52 4.99 0.00 3.34 3.20 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 35 S 8.19 4.88 0.00 3.82 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.90 4.31 0.00 2.16 1.77 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 2.30 2.30 0.00 37 K 8.57 4.86 0.00 1.79 1.67 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.45 7.81 38 L 9.13 5.08 0.00 1.54 1.50 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.31 5.18 0.00 2.56 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.14 3.97 0.00 1.69 1.82 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.42 7.81 41 G 8.97 4.13 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 0.00 0.00 0.00 42 E 8.23 4.19 0.00 2.06 1.90 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 2.34 2.27 0.00 43 V 8.23 4.92 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 0.87 0.00 0.00 1.02 0.00 0.00 44 L 8.95 4.80 0.00 1.78 1.47 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.47 5.10 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.83 1.05 0.00 0.00 46 A 8.95 4.77 1.15 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 0.00 0.00 47 Q 8.69 4.89 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 48 F 8.47 4.52 0.00 2.92 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 49 T 8.90 4.76 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 50 E 8.89 4.05 0.00 1.94 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 2.15 2.30 0.00 51 H 8.20 4.92 0.00 3.06 3.19 0.00 5.81 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.61 5.21 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 1.32 0.00 0.00 53 S 9.00 5.15 0.00 3.94 4.13 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 54 A 7.83 5.14 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.47 4.91 1.69 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.50 0.80 0.00 0.00 56 K 8.94 4.56 0.00 1.69 1.45 0.00 1.45 0.00 0.00 1.36 0.00 0.00 2.74 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.23 1.28 7.81 57 V 8.36 4.98 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 0.87 0.00 0.00 0.88 0.00 0.00 58 R 8.85 4.56 0.00 1.87 1.90 0.00 2.72 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.49 0.00 59 G 9.01 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 60 K 9.09 4.33 0.00 2.00 1.73 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 A 8.91 5.17 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 62 Y 9.47 4.77 0.00 3.03 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 63 I 7.96 4.93 1.88 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.54 0.85 0.00 0.00 64 Q 9.01 4.84 0.00 1.87 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.60 0.00 0.00 0.00 0.00 0.00 2.16 2.14 0.00 65 T 8.17 4.79 4.13 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 1.14 0.00 0.00 66 R 8.57 3.82 0.00 1.76 1.87 0.00 3.22 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 67 H 7.46 4.56 0.00 3.17 3.26 0.00 5.68 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 68 G 8.01 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 69 V 7.91 4.18 1.84 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 0.51 0.00 0.00 0.93 0.00 0.00 70 I 8.41 4.57 1.81 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 1.07 1.38 0.84 0.00 0.00 71 E 8.73 5.11 0.00 2.05 1.84 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 2.29 2.52 0.00 72 S 8.97 4.63 0.00 3.91 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 73 E 8.40 4.26 0.00 1.92 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 0.00 2.20 2.26 0.00