NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7840 8.2516 120.4210 55.5484 33.7056 173.9734 2 V 4.2760 8.7051 125.9685 60.9586 34.1682 172.7503 3 T 5.0999 8.8025 125.3695 61.9310 72.1344 172.4519 4 A 5.1265 8.6653 125.3242 50.6890 23.5560 174.7977 5 F 5.1321 9.2632 118.3870 55.7088 42.1931 174.5933 6 I 4.8289 9.1073 124.8664 59.5447 39.6219 174.6017 7 L 4.8638 8.7854 128.0111 53.8923 43.2258 175.8151 8 M 5.3958 9.1139 122.1104 53.6164 36.7398 174.2437 9 V 4.8862 9.0366 122.3408 61.4088 34.2078 174.7888 10 T 5.1842 9.0829 117.6290 59.3595 71.8850 173.7038 11 A 4.5522 8.8619 123.0543 50.8592 19.7096 177.2578 12 A 4.0409 8.5106 122.7886 53.6521 18.8884 178.3633 13 G 3.9396 8.9248 109.3530 45.9675 0.0000 174.1063 14 K 4.5619 7.7608 116.7523 55.3545 33.7590 177.9372 15 E 3.9580 8.1320 118.9998 59.4020 29.3080 178.9884 16 R 3.9032 7.8956 119.2721 59.0416 30.2012 177.7416 17 E 3.8927 8.1476 118.7814 59.3014 29.5542 178.9327 18 V 3.5882 8.0508 118.3571 66.2477 31.6375 177.8094 19 M 4.0593 8.1408 118.4522 58.6366 31.5558 178.6619 20 E 4.0740 8.2374 117.8807 59.1708 29.9351 179.3220 21 K 4.1437 7.8391 118.3087 59.3912 32.1366 179.4026 22 L 4.0235 8.2508 119.5539 58.0117 41.6145 179.0774 23 L 4.2308 8.3575 114.7537 55.7664 41.2507 177.2837 24 A 4.5912 7.6873 120.3663 51.9888 20.3208 176.7053 25 M 4.4808 7.9212 117.3050 53.3377 33.1893 175.5963 26 P 4.2430 0.0000 0.0000 65.9444 31.8759 177.6846 27 E 3.9723 7.9175 116.7627 58.5865 30.4995 177.0956 28 V 4.1439 7.3835 119.8106 62.5338 31.1831 175.9619 29 K 4.4126 9.0167 129.0706 58.3547 33.1135 177.0251 30 E 4.7925 7.8553 115.0621 55.4315 32.7658 174.3195 31 A 5.1234 7.9010 121.7919 51.1701 22.3907 175.2175 32 Y 4.8400 9.2289 119.1639 56.1431 42.7449 174.7932 33 V 4.3887 8.5838 122.6248 62.7920 32.4881 175.4488 34 V 4.7592 8.7770 119.9644 59.5849 35.5853 175.1702 35 Y 4.1059 8.7680 119.9317 58.3724 38.7445 175.8761 36 G 3.8989 8.7152 106.4521 44.2390 0.0000 172.4514 37 E 3.8874 8.7798 118.1935 58.7293 29.7101 177.6824 38 Y 4.7213 7.6377 114.2041 56.5514 40.2307 175.0072 39 D 4.7374 9.0605 122.5851 56.3536 42.5015 176.5588 40 L 5.3867 7.8961 115.9278 52.9988 46.7326 175.3227 41 I 5.0375 8.8613 120.9016 59.3538 41.5595 174.3351 42 V 4.8811 8.8443 127.8270 61.0931 35.2289 173.6192 43 K 4.4298 8.9861 129.2411 54.8786 33.8652 175.4624 44 V 4.9106 8.5548 120.1031 59.6663 35.9801 174.4118 45 E 5.2211 8.6515 121.1446 55.1013 33.3993 175.0022 46 T 4.5760 8.6745 112.8661 59.8588 72.2730 174.9391 47 D 4.2732 8.7726 121.8428 56.9786 41.3165 176.5128 48 T 4.6656 7.4860 106.6039 58.9061 73.2596 174.5247 49 L 3.9774 8.2920 121.6742 58.0246 42.1640 178.5068 50 K 3.9288 8.0441 119.2752 59.6051 32.0456 178.3886 51 D 4.3937 8.1249 119.2170 57.0697 40.6977 178.4320 52 L 4.0149 7.8304 120.7953 58.2082 42.1335 178.5116 53 D 4.4061 8.3957 119.2046 57.5899 40.7503 178.8690 54 Q 3.9408 8.0320 119.4420 59.0863 29.0433 177.6951 55 F 4.1151 8.4842 121.9196 61.5655 39.3492 177.1877 56 I 3.4969 8.2847 119.5036 64.7308 36.7281 178.7117 57 T 3.8556 7.8333 115.2373 66.0456 68.2941 175.8885 58 E 4.3008 8.2407 119.2192 58.2167 30.4785 178.1156 59 K 4.0950 7.9019 116.8077 57.6587 32.8033 178.5324 60 I 3.9907 6.9573 118.9588 63.2728 37.8553 178.1069 61 R 4.0354 8.0471 116.8960 58.1706 30.0546 177.6792 62 K 4.2678 7.7017 115.2205 56.1622 32.8723 176.1445 63 M 4.0919 7.6908 120.9886 54.7562 32.3707 174.8701 64 P 4.2378 0.0000 0.0000 66.0541 31.8275 177.1706 65 E 4.2531 8.0638 115.7814 57.9147 30.6700 176.7914 66 I 4.3225 7.7859 121.5752 61.1456 37.0416 175.7736 67 Q 4.6022 9.1561 125.9050 57.4942 30.9872 175.5084 68 M 4.9282 7.6923 113.9268 54.4803 34.3782 174.0259 69 T 5.2977 8.3882 109.5221 60.4576 72.6945 173.1207 70 S 4.5338 9.0796 117.4348 57.2859 65.6517 172.4890 71 T 4.9709 8.6576 124.1182 62.2714 70.3126 174.1584 72 M 4.5805 9.3533 126.9509 53.4387 33.7978 175.3313 73 I 4.2191 8.4095 124.9277 61.2129 37.9762 175.9182 74 A 4.7081 8.8563 128.5478 50.5826 21.1055 177.3698 75 I 3.9608 8.1502 118.7009 61.6107 37.4021 176.2715 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 8.25 4.78 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.34 0.00 2 V 8.71 4.28 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 0.88 0.00 0.00 0.90 0.00 0.00 3 T 8.80 5.10 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 1.08 0.00 0.00 4 A 8.67 5.13 1.20 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 0.00 0.00 0.00 5 F 9.26 5.13 0.00 3.00 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 6 I 9.11 4.83 1.92 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.99 0.93 0.00 0.00 7 L 8.79 4.86 0.00 0.87 0.13 0.51 0.38 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 8 M 9.11 5.40 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.48 0.00 9 V 9.04 4.89 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 1.12 0.00 0.00 0.91 0.00 0.00 10 T 9.08 5.18 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 1.24 0.00 0.00 11 A 8.86 4.55 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 12 A 8.51 4.04 1.24 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 0.00 0.00 0.00 13 G 8.92 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 14 K 7.76 4.56 0.00 1.93 1.78 0.00 1.93 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.47 7.81 15 E 8.13 3.96 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 16 R 7.90 3.90 0.00 1.90 1.95 0.00 3.18 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 17 E 8.15 3.89 0.00 2.07 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 0.00 2.49 2.37 0.00 18 V 8.05 3.59 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.97 0.00 0.00 19 M 8.14 4.06 0.00 2.06 2.24 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.87 0.00 20 E 8.24 4.07 0.00 2.07 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 0.00 2.34 2.60 0.00 21 K 7.84 4.14 0.00 1.95 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.64 7.81 22 L 8.25 4.02 0.00 1.85 1.75 0.95 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.36 4.23 0.00 1.62 1.68 0.87 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.69 4.59 1.32 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 0.00 0.00 25 M 7.92 4.48 0.00 2.40 2.18 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.60 0.00 26 P 0.00 4.24 0.00 1.98 2.08 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 27 E 7.92 3.97 0.00 1.16 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 1.63 2.02 0.00 28 V 7.38 4.14 2.30 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 0.71 0.00 0.00 1.03 0.00 0.00 29 K 9.02 4.41 0.00 1.54 1.78 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.59 7.81 30 E 7.86 4.79 0.00 2.00 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 0.00 2.33 2.54 0.00 31 A 7.90 5.12 1.16 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 0.00 0.00 32 Y 9.23 4.84 0.00 2.86 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 33 V 8.58 4.39 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 0.85 0.00 0.00 0.95 0.00 0.00 34 V 8.78 4.76 2.19 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 0.82 0.00 0.00 1.13 0.00 0.00 35 Y 8.77 4.11 0.00 2.95 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.72 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 0.00 0.00 0.00 37 E 8.78 3.89 0.00 1.83 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 1.60 2.08 0.00 38 Y 7.64 4.72 0.00 3.07 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.06 4.74 0.00 2.65 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 40 L 7.90 5.39 0.00 1.60 1.66 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.86 5.04 1.94 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 1.35 1.83 1.07 0.00 0.00 42 V 8.84 4.88 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 0.78 0.00 0.00 0.99 0.00 0.00 43 K 8.99 4.43 0.00 1.49 1.48 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.94 0.21 7.81 44 V 8.55 4.91 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 0.79 0.00 0.00 0.90 0.00 0.00 45 E 8.65 5.22 0.00 1.67 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 2.12 2.10 0.00 46 T 8.67 4.58 4.17 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 1.01 0.00 0.00 47 D 8.77 4.27 0.00 2.91 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.49 4.67 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 49 L 8.29 3.98 0.00 1.78 1.71 0.94 0.46 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 50 K 8.04 3.93 0.00 1.87 1.80 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.54 7.81 51 D 8.12 4.39 0.00 2.94 2.69 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 52 L 7.83 4.01 0.00 1.80 1.86 0.99 1.27 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 53 D 8.40 4.41 0.00 2.95 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 54 Q 8.03 3.94 0.00 2.19 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 55 F 8.48 4.12 0.00 3.21 3.27 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 56 I 8.28 3.50 1.89 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.88 0.90 0.00 0.00 57 T 7.83 3.86 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 1.20 0.00 0.00 58 E 8.24 4.30 0.00 2.01 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 2.26 2.46 0.00 59 K 7.90 4.09 0.00 1.05 1.60 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.67 7.81 60 I 6.96 3.99 1.82 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 1.23 0.84 0.00 0.00 61 R 8.05 4.04 0.00 1.84 1.96 0.00 3.14 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 62 K 7.70 4.27 0.00 1.92 1.80 0.00 1.90 0.00 0.00 1.60 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.48 7.81 63 M 7.69 4.09 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.77 0.00 64 P 0.00 4.24 0.00 2.07 2.12 0.00 3.71 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 65 E 8.06 4.25 0.00 1.97 1.98 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 2.46 2.39 0.00 66 I 7.79 4.32 1.99 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 1.22 0.89 0.95 0.00 0.00 67 Q 9.16 4.60 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.66 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 68 M 7.69 4.93 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.61 0.00 69 T 8.39 5.30 4.26 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 1.23 0.00 0.00 70 S 9.08 4.53 0.00 3.93 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.66 4.97 4.27 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 1.26 0.00 0.00 72 M 9.35 4.58 0.00 1.94 2.07 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 73 I 8.41 4.22 1.90 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 1.30 0.50 0.93 0.00 0.00 74 A 8.86 4.71 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 75 I 8.15 3.96 1.89 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 1.29 0.50 0.92 0.00 0.00