NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 27 M 4.4517 8.3049 120.2376 55.1515 33.9912 174.1577 28 F 4.7407 9.7033 120.1704 55.6032 41.8409 173.0302 29 Y 4.7977 10.0929 124.9843 57.0682 39.7422 174.0718 30 A 4.9835 9.1659 127.6518 50.4026 21.5602 175.6833 31 V 5.0863 8.8512 123.5717 61.4097 32.9329 176.0013 32 R 4.3883 9.4161 125.8747 57.8741 30.7798 176.9514 33 R 4.4958 7.7573 120.6486 55.3885 33.3468 174.5425 34 G 2.8916 8.0589 113.6747 45.4462 0.0000 171.8923 35 R 3.9400 7.6517 118.5052 58.5642 30.0384 177.2005 36 K 4.4707 7.6718 120.0292 54.4174 33.7488 175.9836 37 T 4.4174 8.3927 116.6868 61.3039 70.0854 174.6778 38 G 3.7918 7.1340 107.9921 44.0176 0.0000 172.0689 39 V 4.3528 6.6851 119.2221 60.6681 33.5569 175.3894 40 F 5.0170 9.0257 124.3102 55.9141 42.3766 175.6453 41 L 4.6199 8.6942 121.3238 55.5332 42.2815 177.4118 42 T 4.6568 7.3593 109.0625 58.7146 73.0075 174.2516 43 W 3.5016 8.2185 132.0300 60.3042 30.4547 177.7029 44 N 3.7776 7.8194 115.8498 56.6763 38.5212 175.9280 45 E 3.7744 7.7668 120.2927 58.7369 29.6871 178.0749 46 C 3.5421 7.6723 119.1721 62.2673 31.6361 175.8592 47 R 3.0577 7.1662 117.3645 58.5917 28.3162 178.4814 48 A 3.7011 6.8785 120.8588 54.5534 18.4256 178.9584 49 Q 3.9047 7.6022 116.6344 57.8476 29.1122 178.0625 50 V 3.8878 6.9656 111.7692 61.1088 32.7313 175.9389 51 D 4.5517 7.3813 119.1832 55.6112 40.8977 176.5726 52 R 3.8606 8.8427 121.1944 56.5584 27.6434 175.6417 53 F 4.5784 8.0210 121.9028 55.3835 39.3748 173.1747 54 P 4.1733 0.0000 0.0000 64.5428 30.9653 175.8289 55 A 3.8183 8.9056 124.7488 52.8409 16.1823 176.8409 56 A 4.6516 8.1033 120.8266 53.7914 19.6212 178.6106 57 R 4.8922 9.1326 120.8433 54.5545 32.6553 175.0312 58 F 5.7887 8.4117 117.9540 55.8872 41.6491 173.6601 59 K 4.1979 9.2518 118.0998 55.2870 35.7501 174.2967 60 K 4.5925 8.2191 126.1744 56.2317 33.7270 175.6832 61 F 4.8137 9.1589 119.6344 55.8246 43.2099 175.7200 62 A 4.3919 9.0064 123.1194 54.0187 18.9952 178.4872 63 T 4.8721 7.4332 106.2968 59.4552 72.8293 174.7914 64 E 2.6428 7.6264 122.5637 58.9883 29.6434 178.6201 65 D 4.3946 7.9178 118.4965 57.7632 40.8667 178.8053 66 E 3.7440 8.1076 118.5159 58.9010 29.4071 179.1235 67 A 3.2884 7.2335 120.8457 54.8433 18.4220 179.7620 68 W 4.2587 7.9721 117.3334 59.7124 28.8493 178.4699 69 A 4.0029 7.7499 119.8578 55.1753 18.1156 178.9424 70 F 4.0834 7.9055 118.9910 61.5154 39.1786 177.1608 71 V 3.6869 7.6364 116.1311 66.4335 31.7386 177.9377 72 R 4.2179 8.2728 115.9432 57.4866 29.5852 177.4376 73 K 4.4642 7.8208 120.8801 55.3917 32.9728 177.5851 74 S 4.6047 7.5167 121.8400 58.8832 64.6798 179.2808 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 27 M 8.30 4.45 0.00 1.53 1.77 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 28 F 9.70 4.74 0.00 3.03 2.86 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 29 Y 10.09 4.80 0.00 3.26 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 30 A 9.17 4.98 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.85 5.09 2.40 0.00 0.00 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 1.15 0.00 0.00 32 R 9.42 4.39 0.00 2.06 2.03 0.00 2.94 0.00 0.00 2.98 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 33 R 7.76 4.50 0.00 1.96 2.00 0.00 3.66 0.00 0.00 3.71 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.80 0.00 34 G 8.06 2.89 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 35 R 7.65 3.94 0.00 1.83 1.99 0.00 3.27 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.73 0.00 36 K 7.67 4.47 0.00 1.77 1.79 0.00 1.90 0.00 0.00 1.83 0.00 0.00 3.42 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.46 1.40 7.81 37 T 8.39 4.42 4.45 0.00 0.00 0.00 0.00 0.00 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 38 G 7.13 3.79 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 0.00 39 V 6.69 4.35 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 0.00 0.00 0.65 0.00 0.00 -1.06 0.00 0.00 40 F 9.03 5.02 0.00 3.09 2.89 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 41 L 8.69 4.62 0.00 1.70 1.73 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 42 T 7.36 4.66 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 1.22 0.00 0.00 43 W 8.22 3.50 0.00 3.06 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 44 N 7.82 3.78 0.00 2.60 2.68 0.00 0.00 6.92 7.65 0.00 0.00 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 E 7.77 3.77 0.00 1.96 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 1.97 1.79 0.00 46 C 7.67 3.54 0.00 3.04 2.82 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 47 R 7.17 3.06 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.75 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.11 0.00 48 A 6.88 3.70 1.08 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 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 7.60 3.90 0.00 1.83 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 1.88 2.38 0.00 50 V 6.97 3.89 1.69 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 0.71 0.00 0.00 -0.12 0.00 0.00 51 D 7.38 4.55 0.00 2.65 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 52 R 8.84 3.86 0.00 2.00 2.10 0.00 3.18 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 53 F 8.02 4.58 0.00 3.06 3.06 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 0.00 0.00 0.00 0.00 54 P 0.00 4.17 0.00 2.10 2.03 0.00 3.65 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 1.59 1.83 0.00 55 A 8.91 3.82 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 56 A 8.10 4.65 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.13 4.89 0.00 1.90 2.07 0.00 3.36 0.00 0.00 3.30 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 58 F 8.41 5.79 0.00 3.28 3.07 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 0.00 0.00 0.00 0.00 59 K 9.25 4.20 0.00 1.09 0.74 0.00 1.36 0.00 0.00 1.37 0.00 0.00 2.29 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.30 0.76 7.81 60 K 8.22 4.59 0.00 0.89 1.38 0.00 1.20 0.00 0.00 1.35 0.00 0.00 2.54 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.03 1.09 7.81 61 F 9.16 4.81 0.00 2.94 2.94 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 62 A 9.01 4.39 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 63 T 7.43 4.87 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 1.33 0.00 0.00 64 E 7.63 2.64 0.00 1.16 1.56 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 2.54 2.07 0.00 65 D 7.92 4.39 0.00 2.70 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 66 E 8.11 3.74 0.00 2.07 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 2.32 2.30 0.00 67 A 7.23 3.29 1.06 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 0.00 0.00 0.00 0.00 0.00 0.00 68 W 7.97 4.26 0.00 3.27 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 69 A 7.75 4.00 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 70 F 7.91 4.08 0.00 2.92 3.18 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 71 V 7.64 3.69 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 1.12 0.00 0.00 0.90 0.00 0.00 72 R 8.27 4.22 0.00 2.15 1.96 0.00 3.15 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 73 K 7.82 4.46 0.00 1.69 1.69 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.57 7.81 74 S 7.52 4.60 0.00 3.76 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