NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.6568 8.1593 115.5121 62.1362 68.3378 172.6984 6 I 4.5605 9.1412 122.7898 58.1700 41.2838 172.6367 7 R 5.0556 9.2589 125.2225 54.7189 31.5388 176.8594 8 V 4.7132 8.9513 118.7625 59.6668 36.8426 174.2722 9 I 4.8592 8.8634 122.4504 59.6514 40.3075 174.8760 10 V 4.6484 8.7626 127.7727 61.2431 33.5937 174.5917 11 S 5.0592 9.0941 125.7281 57.9036 64.0163 173.9696 12 V 4.6483 8.7223 124.3707 60.3161 34.5670 173.3371 13 D 4.3156 9.1445 124.4904 54.0010 39.2103 177.2483 14 K 3.9580 9.0182 125.2953 59.5595 32.2995 177.5300 15 A 4.0368 7.9567 117.8814 53.2036 18.6628 177.3183 16 K 4.4824 8.3423 115.5166 55.5285 33.1504 174.9809 17 F 4.6811 7.8259 120.2287 57.1656 40.3778 174.1698 18 N 4.4409 8.8101 127.5322 50.6421 39.8439 173.4100 19 P 3.9016 0.0000 0.0000 65.8029 31.0962 177.6198 20 H 4.2231 8.8866 115.9363 57.2951 28.8622 176.6254 21 E 3.9764 7.9718 117.9822 58.1424 29.6480 178.8754 22 V 3.8215 7.3677 113.4749 63.6811 31.6716 177.8328 23 L 4.3990 6.9757 121.8890 57.5625 41.6266 179.1497 24 G 3.7152 7.4976 105.0693 47.0027 0.0000 174.0457 25 I 4.1892 7.6177 111.3521 60.4799 37.9511 176.1197 26 G 3.8772 8.5760 109.0745 45.5896 0.0000 173.5725 27 G 4.1128 8.0121 109.5915 44.2410 0.0000 172.0883 28 H 4.9499 8.3034 112.8491 54.0378 32.1567 173.0942 29 I 4.1692 8.4069 121.1320 61.8663 37.2280 175.6211 30 V 4.1646 9.0015 127.1331 64.6299 32.8851 175.7071 31 Y 4.4652 7.5547 120.0814 56.5982 42.2020 172.7444 32 Q 4.6147 7.7841 126.0275 54.0316 30.0512 175.5859 33 F 4.3620 8.5175 124.1016 57.6199 39.0140 176.3349 34 K 4.1700 9.0846 122.3417 58.4940 32.2641 177.8440 35 L 4.6897 8.0965 115.7291 54.2398 43.2098 175.9499 36 I 4.6916 7.4183 110.8883 58.2257 40.9301 173.9867 37 P 4.7273 0.0000 0.0000 61.4405 29.8002 174.3056 38 A 5.2387 7.6927 127.3386 51.5101 23.6846 175.6776 39 V 4.7899 8.5626 118.1496 60.0653 35.2612 174.5081 40 V 4.4767 9.0845 124.9943 62.5359 32.7079 175.1837 41 V 4.9374 8.8342 120.1622 59.7613 36.4360 173.9274 42 D 5.3484 8.6748 122.7643 53.0276 42.7760 176.1975 43 V 4.6680 8.7608 115.8640 58.6944 36.6817 173.5387 44 P 4.5542 0.0000 0.0000 62.3690 32.0569 177.3797 45 A 4.0796 8.8970 123.5680 55.7029 17.9359 179.9563 46 N 4.3811 8.1420 113.1072 55.4219 37.8191 176.4986 47 A 4.1812 8.3102 123.0935 53.5528 18.6361 179.4895 48 V 3.5454 7.5774 117.9598 66.0247 31.6570 178.1561 49 G 3.7143 8.1320 104.8814 47.7845 0.0000 175.4906 50 K 3.9782 7.9270 119.2872 59.3065 32.2683 178.7946 51 L 4.1435 7.9638 119.1567 57.8228 41.3103 179.7748 52 K 3.9709 7.7255 116.9939 59.4854 32.0797 179.2769 53 K 4.1069 7.8801 117.5882 58.3582 32.5135 177.8293 54 M 4.1665 7.4255 119.8897 54.7289 32.3954 175.4853 55 P 4.2939 0.0000 0.0000 65.5981 31.6413 177.5874 56 E 4.0312 8.1229 114.0403 57.8297 29.8947 176.5876 57 V 4.1748 7.3910 120.1150 61.8579 31.6879 175.1738 58 E 4.2724 9.0443 128.6913 59.0603 30.2289 177.3621 59 K 4.5011 7.6583 117.6939 55.2300 35.8086 174.4009 60 V 4.7734 8.3541 125.6293 61.1043 33.9445 174.3228 61 E 4.7385 8.9863 127.1378 54.2349 32.8921 175.8550 62 F 4.4044 8.7297 121.8264 57.5051 40.2318 174.8768 63 D 4.6040 8.6657 121.2110 53.7876 41.0583 175.8544 64 H 4.7858 8.6030 123.5719 55.0232 30.2633 174.6291 65 Q 4.6471 8.4608 118.4197 54.2045 31.0831 175.3118 66 A 4.8433 8.4011 123.8359 50.4327 21.8086 175.7981 67 V 4.5882 7.8148 111.8484 58.7382 35.4015 176.0186 68 L 4.1705 8.3423 121.5802 55.9304 41.0031 177.2090 69 L 4.3137 8.3097 119.2661 55.0402 42.0124 176.4451 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 5 T 8.16 4.66 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 6 I 9.14 4.56 1.99 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.13 0.99 0.00 0.00 7 R 9.26 5.06 0.00 1.92 1.89 0.00 3.08 0.00 0.00 3.89 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.55 0.00 8 V 8.95 4.71 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 0.45 0.00 0.00 0.91 0.00 0.00 9 I 8.86 4.86 1.88 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 1.23 0.79 1.02 0.00 0.00 10 V 8.76 4.65 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 0.95 0.00 0.00 0.90 0.00 0.00 11 S 9.09 5.06 0.00 3.82 3.74 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 12 V 8.72 4.65 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 1.13 0.00 0.00 13 D 9.14 4.32 0.00 2.90 2.91 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 14 K 9.02 3.96 0.00 1.83 1.90 0.00 1.73 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.57 1.54 7.81 15 A 7.96 4.04 1.31 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 0.00 0.00 0.00 16 K 8.34 4.48 0.00 1.68 2.10 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.54 1.37 7.81 17 F 7.83 4.68 0.00 2.89 2.96 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 0.00 0.00 0.00 18 N 8.81 4.44 0.00 2.55 2.62 0.00 0.00 6.51 7.25 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 19 P 0.00 3.90 0.00 2.06 2.31 0.00 3.41 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 20 H 8.89 4.22 0.00 3.17 3.33 0.00 5.61 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 7.97 3.98 0.00 2.19 2.15 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 2.43 2.32 0.00 22 V 7.37 3.82 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 0.96 0.00 0.00 1.04 0.00 0.00 23 L 6.98 4.40 0.00 1.59 1.68 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.50 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 0.00 0.00 0.00 25 I 7.62 4.19 1.88 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 1.39 0.81 0.92 0.00 0.00 26 G 8.58 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 0.00 0.00 0.00 27 G 8.01 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 28 H 8.30 4.95 0.00 3.17 3.37 0.00 5.27 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 29 I 8.41 4.17 1.91 0.00 0.00 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 1.29 0.89 0.94 0.00 0.00 30 V 9.00 4.16 2.21 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 0.75 0.00 0.00 1.00 0.00 0.00 31 Y 7.55 4.47 0.00 2.96 2.45 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 0.00 32 Q 7.78 4.61 0.00 1.72 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.70 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 33 F 8.52 4.36 0.00 3.23 3.04 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 0.00 34 K 9.08 4.17 0.00 1.83 1.91 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.48 7.81 35 L 8.10 4.69 0.00 1.67 1.71 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.42 4.69 1.72 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.43 0.79 0.00 0.00 37 P 0.00 4.73 0.00 2.13 2.24 0.00 3.63 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.95 0.00 38 A 7.69 5.24 1.21 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 0.00 0.00 0.00 39 V 8.56 4.79 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.93 0.00 0.00 40 V 9.08 4.48 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.97 0.00 0.00 41 V 8.83 4.94 2.15 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 0.75 0.00 0.00 0.92 0.00 0.00 42 D 8.67 5.35 0.00 2.23 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.76 4.67 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 0.77 0.00 0.00 0.91 0.00 0.00 44 P 0.00 4.55 0.00 2.35 1.98 0.00 3.69 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.10 0.00 45 A 8.90 4.08 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.14 4.38 0.00 2.88 2.99 0.00 0.00 5.99 7.26 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 47 A 8.31 4.18 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 48 V 7.58 3.55 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 0.94 0.00 0.00 49 G 8.13 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.93 3.98 0.00 1.91 1.89 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.68 7.81 51 L 7.96 4.14 0.00 1.86 1.70 0.89 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 52 K 7.73 3.97 0.00 1.92 1.87 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.44 7.81 53 K 7.88 4.11 0.00 1.94 1.88 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.57 1.65 7.81 54 M 7.43 4.17 0.00 2.43 2.12 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.53 0.00 55 P 0.00 4.29 0.00 2.04 2.13 0.00 3.69 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 2.03 2.09 0.00 56 E 8.12 4.03 0.00 2.13 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 0.00 2.33 2.29 0.00 57 V 7.39 4.17 2.33 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 0.79 0.00 0.00 1.01 0.00 0.00 58 E 9.04 4.27 0.00 1.86 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 2.44 2.39 0.00 59 K 7.66 4.50 0.00 1.77 1.55 0.00 1.64 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.40 7.81 60 V 8.35 4.77 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 0.67 0.00 0.00 0.87 0.00 0.00 61 E 8.99 4.74 0.00 1.86 1.79 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 2.20 2.21 0.00 62 F 8.73 4.40 0.00 2.82 2.88 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 63 D 8.67 4.60 0.00 2.91 2.65 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 0.00 0.00 0.00 0.00 64 H 8.60 4.79 0.00 3.23 3.24 0.00 5.70 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 65 Q 8.46 4.65 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 66 A 8.40 4.84 1.22 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 0.00 0.00 0.00 0.00 0.00 67 V 7.81 4.59 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 0.80 0.00 0.00 0.93 0.00 0.00 68 L 8.34 4.17 0.00 1.73 1.67 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.31 4.31 0.00 1.62 1.57 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00