NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 E 4.4215 8.4449 120.1891 56.3025 30.9209 174.7158 30 F 4.7054 8.4669 118.9021 54.6126 43.2063 169.4137 31 V 4.0073 8.7966 123.1628 63.1137 33.7130 174.3906 32 V 4.1273 8.2907 127.0384 61.7885 32.0649 174.9611 33 E 4.3532 9.0553 130.1452 58.4656 30.3337 176.3463 34 K 4.4523 7.4434 115.9766 55.6774 36.0506 174.5716 35 V 4.3256 8.0781 121.7358 61.7231 32.0144 175.1430 36 L 4.5803 8.8922 127.9928 55.9032 43.6310 175.6962 37 D 4.7218 7.5970 116.0421 53.6614 44.7523 173.9996 38 R 5.4693 8.7460 120.9789 54.8593 33.3706 173.9361 39 R 4.7150 8.9228 120.1902 54.8333 33.5660 173.5765 40 V 4.5785 8.1922 119.6676 61.1069 33.8772 175.0073 41 V 3.9646 9.0191 130.6177 62.0481 32.2879 174.2202 42 N 4.5189 9.6318 121.5508 53.5124 34.0470 171.3631 43 G 4.1686 8.2311 115.1813 46.4765 0.0000 172.6425 44 K 4.1889 7.6865 122.1910 53.5207 32.0552 179.4281 45 V 4.2128 8.2358 125.4611 61.9272 32.7858 174.7183 46 E 5.2592 9.0769 126.2196 54.8826 34.2642 174.1491 47 Y 5.3289 9.3299 118.4010 56.3569 42.6856 174.7306 48 F 4.3606 8.6573 125.6700 57.0607 40.3637 174.1873 49 L 4.5361 8.0935 127.4507 52.6558 43.9265 175.8117 50 K 4.6608 8.0734 124.9841 54.7860 33.6534 175.3281 51 W 5.0642 8.4348 126.7145 54.8305 31.3481 175.6873 52 K 4.0617 9.1612 126.3632 57.5560 32.1458 176.8882 53 G 3.8540 9.0124 113.2440 46.1478 0.0000 172.9085 54 F 4.8023 7.8543 116.8675 55.2165 42.6266 175.1667 55 T 4.3899 8.2666 113.4098 60.6593 70.1845 175.2285 56 D 4.5103 8.7025 120.4146 57.3907 40.8450 179.0808 57 A 4.2432 7.4731 120.8215 54.6893 18.3572 177.6952 58 D 4.7105 7.9499 113.6340 54.2404 41.6586 176.6053 59 N 4.8916 8.5628 118.8849 53.3111 39.6027 174.1499 60 T 5.1700 8.0845 110.8006 59.9893 73.1487 172.1776 61 W 5.2378 9.0485 122.1312 55.5981 30.7240 175.6882 62 E 5.1034 9.6331 124.1650 53.5755 32.9344 174.0849 63 P 4.8410 0.0000 0.0000 62.3519 32.4150 176.9450 64 E 4.2428 8.9312 119.2606 59.8060 29.3100 178.5620 65 E 4.3601 8.1801 114.0669 57.0838 29.9803 176.7899 66 N 4.6600 8.3343 117.1295 54.4456 39.1893 175.1815 67 L 4.6580 7.6234 118.3983 53.2449 43.2959 176.3860 68 D 4.5459 8.5201 120.3683 55.7710 40.4634 176.5774 69 C 4.9108 7.5152 118.7237 55.9633 31.5791 172.1653 70 P 4.0893 0.0000 0.0000 65.4049 31.3068 178.2007 71 E 4.0094 8.3377 118.2919 59.4879 29.2746 178.8777 72 L 3.9637 7.7430 120.2621 57.9903 42.0348 179.1922 73 I 3.7755 7.5403 119.3347 64.3278 37.2039 177.8814 74 E 4.0313 8.2704 119.1696 59.5884 29.3005 179.2484 75 A 4.0432 8.5892 120.9502 55.1881 18.1809 179.3797 76 F 4.1671 8.1057 117.9575 61.5831 39.6722 177.1033 77 L 3.9033 8.2458 118.6591 57.6229 41.3600 178.7271 78 N 4.6281 8.6312 114.6431 54.5904 38.4829 176.2262 79 S 4.7161 7.0976 115.0832 57.8454 63.5818 174.0148 80 Q 3.9944 7.6687 126.0305 56.9497 28.4798 174.2805 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 29 E 8.44 4.42 0.00 1.92 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 0.00 2.23 2.30 0.00 30 F 8.47 4.71 0.00 2.75 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 31 V 8.80 4.01 2.27 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 1.08 0.00 0.00 1.02 0.00 0.00 32 V 8.29 4.13 1.94 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 0.45 0.00 0.00 0.67 0.00 0.00 33 E 9.06 4.35 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 2.23 2.22 0.00 34 K 7.44 4.45 0.00 1.69 1.72 0.00 1.45 0.00 0.00 1.66 0.00 0.00 2.70 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.27 1.26 7.81 35 V 8.08 4.33 1.93 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 0.79 0.00 0.00 0.68 0.00 0.00 36 L 8.89 4.58 0.00 1.62 1.77 0.70 1.11 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 37 D 7.60 4.72 0.00 2.85 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.75 5.47 0.00 2.04 1.86 0.00 3.47 0.00 0.00 3.36 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.37 0.00 39 R 8.92 4.72 0.00 1.61 1.59 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.22 0.00 40 V 8.19 4.58 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 0.77 0.00 0.00 0.88 0.00 0.00 41 V 9.02 3.96 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 0.83 0.00 0.00 0.73 0.00 0.00 42 N 9.63 4.52 0.00 2.86 2.63 0.00 0.00 6.93 7.51 0.00 0.00 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 G 8.23 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 0.00 0.00 0.00 0.00 44 K 7.69 4.19 0.00 1.72 1.73 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.36 1.24 7.81 45 V 8.24 4.21 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 0.53 0.00 0.00 0.90 0.00 0.00 46 E 9.08 5.26 0.00 1.98 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 0.00 2.25 2.37 0.00 47 Y 9.33 5.33 0.00 2.77 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 48 F 8.66 4.36 0.00 1.51 2.36 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 49 L 8.09 4.54 0.00 0.59 0.44 0.44 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.07 4.66 0.00 1.59 1.45 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.49 1.29 7.81 51 W 8.43 5.06 0.00 3.25 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 52 K 9.16 4.06 0.00 1.83 1.86 0.00 1.94 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.42 7.81 53 G 9.01 3.85 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 0.00 0.00 0.00 54 F 7.85 4.80 0.00 3.18 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 55 T 8.27 4.39 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 1.23 0.00 0.00 56 D 8.70 4.51 0.00 2.75 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 57 A 7.47 4.24 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 58 D 7.95 4.71 0.00 2.98 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.56 4.89 0.00 2.28 1.50 0.00 0.00 6.67 6.88 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 60 T 8.08 5.17 4.49 0.00 0.00 0.00 0.00 0.00 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 61 W 9.05 5.24 0.00 3.31 3.25 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 62 E 9.63 5.10 0.00 1.97 1.99 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 2.44 2.71 0.00 63 P 0.00 4.84 0.00 2.65 2.24 0.00 3.86 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.03 0.00 64 E 8.93 4.24 0.00 2.43 2.54 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 0.00 2.37 2.37 0.00 65 E 8.18 4.36 0.00 2.15 2.16 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 2.33 2.32 0.00 66 N 8.33 4.66 0.00 3.06 3.07 0.00 0.00 6.89 8.70 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 67 L 7.62 4.66 0.00 1.79 1.53 1.04 0.56 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 68 D 8.52 4.55 0.00 2.77 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 69 C 7.52 4.91 0.00 2.89 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 70 P 0.00 4.09 0.00 2.43 2.36 0.00 3.78 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.28 0.00 71 E 8.34 4.01 0.00 2.08 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 0.00 2.43 2.48 0.00 72 L 7.74 3.96 0.00 1.67 1.72 0.91 1.28 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 73 I 7.54 3.78 1.81 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.18 1.04 0.00 0.00 74 E 8.27 4.03 0.00 2.06 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 0.00 2.66 2.60 0.00 75 A 8.59 4.04 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 76 F 8.11 4.17 0.00 3.05 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.25 3.90 0.00 1.77 1.69 1.08 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.63 4.63 0.00 2.67 2.86 0.00 0.00 7.01 7.45 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 79 S 7.10 4.72 0.00 4.11 4.02 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 0.00 0.00 0.00 80 Q 7.67 3.99 0.00 1.97 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.58 0.00 0.00 0.00 0.00 0.00 2.16 2.10 0.00