NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 T 4.5046 8.0333 117.3510 63.6083 70.5622 172.7140 10 F 4.8944 8.9005 124.3753 54.8830 42.7594 169.1636 11 V 4.6842 8.7153 121.1301 60.9418 35.1930 174.2897 12 A 4.7715 8.4806 128.2435 51.6842 18.3773 178.3098 13 L 3.9951 8.9291 123.4160 57.9439 42.2633 177.3899 14 Y 4.6812 7.9825 114.2037 55.7844 42.2835 175.6214 15 D 4.6354 8.6241 121.4959 53.0835 39.5360 174.4935 16 Y 4.2891 7.8590 127.6088 57.9706 39.5800 174.5735 17 E 4.5013 8.6635 130.0535 53.6194 28.1519 174.9826 18 S 4.1122 6.8687 117.8813 58.3904 63.5701 175.2018 19 R 4.4480 8.5833 116.1478 55.6209 32.0051 175.2098 20 T 4.5386 7.6591 111.0284 60.2830 69.7320 172.6898 21 E 4.5567 8.5437 120.0196 56.9026 29.4578 177.5937 22 T 4.4011 7.9370 117.8180 64.7004 69.8821 174.6216 23 D 5.1558 7.8964 118.9818 52.5275 42.9900 175.4868 24 L 4.5745 8.4626 122.5493 53.9986 42.9564 176.4972 25 S 4.2166 8.6177 120.3105 57.9765 63.7449 173.5403 26 F 5.1295 8.0946 118.7807 55.1366 41.0605 174.6386 27 K 4.6770 8.5368 119.4702 54.4148 35.1595 175.4582 28 K 4.4551 7.8671 121.7394 57.4098 32.6112 175.7170 29 G 4.1229 8.9895 113.1549 45.5096 0.0000 173.6568 30 E 4.2547 7.9325 119.7680 56.1562 30.7376 176.2764 31 R 5.0807 8.4950 124.3683 54.9803 32.8917 175.5135 32 L 4.7235 8.3220 119.3796 53.1936 46.9055 175.7253 33 Q 4.3166 8.5813 123.8709 55.0163 29.5926 175.0165 34 I 3.4782 8.0720 128.1002 62.3318 37.1547 174.8327 35 V 3.8215 8.6684 126.9006 62.2684 31.0888 174.5595 36 N 4.9540 7.8813 114.8714 51.7250 42.1438 173.8280 37 N 4.2621 8.2795 121.3982 53.0671 37.4022 174.1963 38 T 4.4741 8.0466 114.4557 62.2506 69.2979 172.7343 39 E 4.7741 7.8987 122.3657 56.4571 37.4300 175.3446 40 G 4.1349 7.8253 107.5704 45.6859 0.0000 173.1261 41 D 4.3263 8.7196 119.4709 54.4524 42.1760 175.6506 42 W 4.3173 7.6169 118.9443 54.6466 31.5690 175.4665 43 W 5.1240 8.3747 125.0985 55.4265 31.8010 175.0597 44 L 5.1236 8.4670 121.9487 53.7407 43.9251 175.4400 45 A 5.1117 8.6456 127.6577 50.5251 22.8851 174.3707 46 H 5.1996 8.7275 117.5363 53.2558 32.3682 173.2922 47 S 4.5565 8.7205 121.6615 59.0327 63.7713 174.9578 48 L 4.5843 8.3565 119.5033 55.1931 42.4219 178.0466 49 T 4.0741 7.3356 115.8394 65.6648 69.0559 175.5460 50 T 4.0947 7.7081 119.9619 64.1740 69.8684 175.7105 51 G 3.8968 8.2677 108.1047 45.9922 0.0000 171.5966 52 Q 4.7357 7.6242 116.7991 54.3733 32.7520 175.9324 53 T 4.7992 7.9437 115.6366 62.2197 72.1812 174.3780 54 G 4.0032 8.1091 107.2394 45.2304 0.0000 172.2845 55 Y 4.9639 8.7419 123.0095 58.1563 38.5513 175.2462 56 I 4.8599 8.8639 119.6275 58.7283 39.7012 173.7512 57 P 2.9700 0.0000 0.0000 62.2755 31.7444 177.0237 58 S 3.0262 7.0218 115.9045 58.8857 63.0522 174.3530 59 N 4.5760 6.9690 117.0613 53.7128 39.4419 174.5193 60 Y 5.4596 7.4025 115.6779 57.6865 39.3338 175.2366 61 V 5.3447 7.7350 117.7498 60.9253 35.1875 173.6830 62 A 4.7527 8.7752 120.9686 49.7910 22.9180 174.1227 63 P 2.9700 0.0000 0.0000 62.5303 31.9105 176.4219 64 S 4.1743 7.7180 116.5162 59.0342 63.2870 175.5258 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 9 T 8.03 4.50 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 1.25 0.00 0.00 10 F 8.90 4.89 0.00 3.03 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 11 V 8.72 4.68 2.06 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 1.05 0.00 0.00 0.92 0.00 0.00 12 A 8.48 4.77 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.93 4.00 0.00 1.91 1.49 1.09 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.98 4.68 0.00 2.14 2.37 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 15 D 8.62 4.64 0.00 2.59 2.70 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 16 Y 7.86 4.29 0.00 2.56 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 17 E 8.66 4.50 0.00 1.93 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 2.11 2.17 0.00 18 S 6.87 4.11 0.00 3.84 3.31 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 19 R 8.58 4.45 0.00 1.77 1.94 0.00 3.22 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.71 0.00 20 T 7.66 4.54 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 1.24 0.00 0.00 21 E 8.54 4.56 0.00 2.00 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 2.28 2.32 0.00 22 T 7.94 4.40 4.35 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 1.47 0.00 0.00 23 D 7.90 5.16 0.00 2.99 3.30 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 0.00 0.00 0.00 0.00 24 L 8.46 4.57 0.00 1.69 1.70 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.62 4.22 0.00 3.61 3.62 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 26 F 8.09 5.13 0.00 3.25 3.24 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 27 K 8.54 4.68 0.00 1.78 1.81 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.45 7.81 28 K 7.87 4.46 0.00 1.67 1.69 0.00 1.51 0.00 0.00 0.98 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.52 7.81 29 G 8.99 4.12 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 0.00 0.00 0.00 30 E 7.93 4.25 0.00 2.20 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 2.36 2.33 0.00 31 R 8.50 5.08 0.00 1.72 1.92 0.00 3.28 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 32 L 8.32 4.72 0.00 1.50 1.43 0.46 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.58 4.32 0.00 2.26 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.99 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 34 I 8.07 3.48 1.12 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 -0.36 0.39 0.00 0.00 35 V 8.67 3.82 2.25 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 0.65 0.00 0.00 0.96 0.00 0.00 36 N 7.88 4.95 0.00 2.87 2.66 0.00 0.00 6.49 6.71 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 37 N 8.28 4.26 0.00 1.44 1.67 0.00 0.00 5.51 7.24 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 38 T 8.05 4.47 4.16 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 1.19 0.00 0.00 39 E 7.90 4.77 0.00 1.99 1.84 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 2.20 2.27 0.00 40 G 7.83 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.72 4.33 0.00 2.64 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 42 W 7.62 4.32 0.00 2.88 3.08 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 43 W 8.37 5.12 0.00 3.44 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 44 L 8.47 5.12 0.00 1.89 1.63 0.10 1.03 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 45 A 8.65 5.11 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.73 5.20 0.00 3.21 3.10 0.00 5.84 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.72 4.56 0.00 3.75 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 48 L 8.36 4.58 0.00 1.61 1.69 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.34 4.07 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 1.22 0.00 0.00 50 T 7.71 4.09 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 1.22 0.00 0.00 51 G 8.27 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 52 Q 7.62 4.74 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 53 T 7.94 4.80 4.20 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 1.03 0.00 0.00 54 G 8.11 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 55 Y 8.74 4.96 0.00 3.29 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 56 I 8.86 4.86 2.05 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.01 1.23 0.00 0.00 57 P 0.00 2.97 0.00 0.84 0.49 0.00 3.68 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.44 0.00 58 S 7.02 3.03 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 6.97 4.58 0.00 2.14 2.61 0.00 0.00 6.66 7.30 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 60 Y 7.40 5.46 0.00 3.02 3.36 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 61 V 7.73 5.34 2.17 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 0.92 0.00 0.00 1.37 0.00 0.00 62 A 8.78 4.75 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 63 P 0.00 2.97 0.00 1.80 1.55 0.00 3.66 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.84 0.00 64 S 7.72 4.17 0.00 3.78 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00