NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 44 I 3.7551 8.0244 121.4225 61.0991 38.5448 175.5771 45 D 4.3549 8.0101 124.0306 52.7879 41.3391 175.3107 46 Y 4.1781 8.5114 126.4856 60.5332 38.3833 177.9812 47 G 3.6966 8.2427 106.6537 48.0429 0.0000 175.3727 48 D 4.4220 8.6026 121.4936 56.9467 40.7407 178.9945 49 R 3.9294 7.9360 118.6874 59.4402 30.0843 178.8065 50 D 4.0443 8.4793 119.0027 57.3942 40.7544 179.0702 51 S 4.4287 8.0127 115.7280 61.4401 62.7785 176.5251 52 L 3.9964 7.8613 123.1072 57.8258 41.7630 178.5245 53 F 4.1395 8.4956 121.0965 61.6459 39.3159 177.2543 54 F 4.6910 8.5465 117.4750 60.6559 38.4322 177.5326 55 E 4.0541 8.0200 117.7297 59.2609 29.2665 179.2814 56 I 3.6048 7.4374 118.9490 63.9053 37.4001 177.6900 57 F 4.6944 8.0031 115.3853 57.8987 40.3421 178.0431 58 G 3.8999 8.4473 107.4119 46.2846 0.0000 174.6846 59 T 4.4905 8.3359 115.5873 61.3746 68.9258 175.3234 60 G 3.9986 8.6364 107.9995 46.5265 0.0000 174.4847 61 E 4.3562 7.8486 119.6715 57.4808 30.6541 178.0234 62 E 3.7157 8.3549 117.8015 59.3177 29.5128 177.6747 63 Y 4.6648 7.6651 112.9536 57.5617 38.7890 177.4455 64 R 3.8946 8.0791 123.9194 59.2923 30.2416 178.2546 65 Y 4.2258 8.0255 114.9346 59.5404 38.0361 177.6905 66 V 3.4337 7.1641 120.2054 65.0587 31.8204 175.6600 67 L 4.2399 7.8231 123.5991 54.7727 41.5476 176.1740 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 44 I 8.02 3.76 1.04 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.92 0.07 0.00 0.00 45 D 8.01 4.35 0.00 2.72 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.51 4.18 0.00 3.12 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 47 G 8.24 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 D 8.60 4.42 0.00 2.80 2.71 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 49 R 7.94 3.93 0.00 1.99 1.99 0.00 3.27 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 50 D 8.48 4.04 0.00 2.83 2.31 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 51 S 8.01 4.43 0.00 4.07 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.86 4.00 0.00 1.80 1.82 0.95 0.85 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 53 F 8.50 4.14 0.00 3.18 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 54 F 8.55 4.69 0.00 3.18 3.05 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 55 E 8.02 4.05 0.00 2.16 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 2.38 2.59 0.00 56 I 7.44 3.60 1.34 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.38 -0.45 0.00 0.00 57 F 8.00 4.69 0.00 2.60 2.84 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 0.00 0.00 0.00 58 G 8.45 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 59 T 8.34 4.49 4.15 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 0.80 0.00 0.00 60 G 8.64 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 E 7.85 4.36 0.00 1.98 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 2.32 2.23 0.00 62 E 8.35 3.72 0.00 1.64 1.23 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 2.22 2.29 0.00 63 Y 7.67 4.66 0.00 2.95 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.08 3.89 0.00 1.89 1.98 0.00 3.12 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 65 Y 8.03 4.23 0.00 3.13 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 66 V 7.16 3.43 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.34 0.00 0.00 67 L 7.82 4.24 0.00 1.66 1.54 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00