NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 P 4.4263 0.0000 0.0000 62.2036 33.3839 175.1510 14 L 4.5395 7.4703 117.4825 52.8681 43.5592 172.8684 15 S 4.7674 8.0740 111.7260 56.4705 66.9223 175.6043 16 Q 4.1962 8.6820 115.8006 57.4016 27.9809 176.5007 17 E 4.4104 7.6478 117.5815 57.0988 30.7585 176.4156 18 T 4.4115 7.6736 109.8330 60.2517 70.2846 175.3267 19 F 3.7474 8.8091 117.8061 60.6887 37.0202 177.9983 20 S 3.8893 7.4284 113.6268 60.6448 62.6973 175.0856 21 D 4.6343 8.0884 119.8777 55.5960 41.4452 178.2887 22 L 4.0232 7.5732 119.1942 57.3397 41.4150 179.0511 23 W 4.5200 7.6816 119.0167 59.8961 28.7332 178.6535 24 K 4.0771 7.8496 117.1721 59.2599 31.6353 178.3216 25 L 4.2176 7.6125 117.5156 56.3914 41.8596 177.5383 26 L 4.3217 7.3899 118.8914 53.9413 42.3205 175.7332 27 P 4.6619 0.0000 0.0000 62.6636 30.6562 177.7245 28 E 4.2336 8.3072 116.4430 59.0909 29.7878 176.7289 29 N 4.9638 8.0074 115.4610 52.3419 37.9579 172.6478 30 N 4.9477 7.9766 116.1805 52.6717 42.4187 173.5199 31 V 4.2712 8.0842 118.3811 61.6629 33.1140 173.2032 32 L 4.4644 8.0780 126.6076 56.4543 43.3938 177.2175 33 S 4.3146 7.6694 116.1345 58.1454 63.4522 172.9962 34 P 4.5717 0.0000 0.0000 63.5177 31.5765 175.8563 35 L 4.7731 7.2917 118.1907 53.4587 43.5972 174.7553 36 P 4.6271 0.0000 0.0000 62.0470 33.1892 176.5271 37 S 4.1401 8.7375 113.3932 61.8500 62.5717 175.4321 38 Q 4.0993 8.1136 119.6353 57.0630 28.8824 177.1822 39 A 3.9186 7.8077 119.7866 55.8070 17.2224 178.8730 40 M 4.6099 7.4240 116.0794 55.7394 31.4576 177.5819 41 D 4.6989 7.6961 120.7449 56.9181 41.2417 176.5851 42 D 4.8267 7.4241 115.8866 53.2854 42.6353 174.2930 43 L 4.6981 7.6511 116.6947 54.2596 43.2735 174.3071 44 M 4.7906 8.2836 120.3073 53.6892 35.2326 174.4634 45 L 4.2272 8.5105 125.5431 55.1249 42.6353 176.2981 46 S 4.8317 8.0486 114.9473 55.4946 66.3766 173.9173 47 P 4.2519 0.0000 0.0000 65.7926 30.6558 178.1519 48 D 4.2285 8.0136 117.0302 57.1995 41.0881 177.0010 49 D 4.2650 7.7817 118.0615 56.5208 41.0291 178.3522 50 I 3.0247 7.2085 119.6732 63.5255 37.3307 177.1107 51 E 4.2404 7.9403 115.8513 57.3492 30.0664 178.1605 52 Q 4.1146 7.3985 122.0596 58.9256 29.2189 177.6058 53 W 4.4193 7.7355 116.5816 58.5768 28.9667 177.4338 54 F 4.5145 8.6498 113.4165 58.0863 38.1272 177.4722 55 T 3.2491 7.1842 114.3986 64.5291 67.0765 174.6158 56 E 4.0315 7.9473 118.7892 57.3895 29.7225 176.1724 57 D 4.2795 7.5586 119.4164 54.1021 41.8097 175.5706 58 P 4.5631 0.0000 0.0000 62.3886 30.2353 174.2542 59 G 4.2282 7.3197 106.5022 43.4281 0.0000 169.2235 60 P 4.6489 0.0000 0.0000 62.1568 33.5793 175.8739 61 D 4.2199 8.3279 117.2659 55.2349 41.2181 175.6546 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 13 P 0.00 4.43 0.00 2.23 2.27 0.00 3.71 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.98 0.00 14 L 7.47 4.54 0.00 1.83 1.73 0.93 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.07 4.77 0.00 3.96 3.96 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 16 Q 8.68 4.20 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.90 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 17 E 7.65 4.41 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.22 0.00 18 T 7.67 4.41 4.50 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 1.33 0.00 0.00 19 F 8.81 3.75 0.00 2.13 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 20 S 7.43 3.89 0.00 3.68 3.81 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 21 D 8.09 4.63 0.00 2.75 2.72 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 22 L 7.57 4.02 0.00 1.62 1.67 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 23 W 7.68 4.52 0.00 3.25 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 24 K 7.85 4.08 0.00 1.86 1.91 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.51 1.47 7.81 25 L 7.61 4.22 0.00 1.76 1.76 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.39 4.32 0.00 1.84 1.72 1.31 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.66 0.00 2.25 2.29 0.00 3.77 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.99 0.00 28 E 8.31 4.23 0.00 2.11 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 2.46 2.32 0.00 29 N 8.01 4.96 0.00 2.81 2.89 0.00 0.00 5.79 8.05 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 30 N 7.98 4.95 0.00 2.63 2.71 0.00 0.00 6.76 9.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.08 4.27 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.94 0.00 0.00 32 L 8.08 4.46 0.00 1.68 1.63 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 33 S 7.67 4.31 0.00 4.00 3.81 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 34 P 0.00 4.57 0.00 2.18 2.16 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 35 L 7.29 4.77 0.00 1.71 1.62 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.63 0.00 2.25 2.27 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 37 S 8.74 4.14 0.00 3.89 4.01 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.11 4.10 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.88 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 39 A 7.81 3.92 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 40 M 7.42 4.61 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.42 0.00 41 D 7.70 4.70 0.00 2.60 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 42 D 7.42 4.83 0.00 2.78 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 0.00 0.00 0.00 43 L 7.65 4.70 0.00 1.86 1.69 0.94 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 44 M 8.28 4.79 0.00 1.92 1.92 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.62 0.00 45 L 8.51 4.23 0.00 1.69 1.58 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.05 4.83 0.00 3.78 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.25 0.00 2.21 2.28 0.00 3.67 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 48 D 8.01 4.23 0.00 2.62 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.78 4.27 0.00 2.62 2.39 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.21 3.02 1.87 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.70 1.10 0.00 0.00 51 E 7.94 4.24 0.00 2.29 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 0.00 2.44 2.33 0.00 52 Q 7.40 4.11 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.52 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 53 W 7.74 4.42 0.00 3.43 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 54 F 8.65 4.51 0.00 2.98 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 7.18 3.25 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 1.19 0.00 0.00 56 E 7.95 4.03 0.00 2.05 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 2.31 2.37 0.00 57 D 7.56 4.28 0.00 2.70 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 58 P 0.00 4.56 0.00 2.21 2.07 0.00 3.76 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 59 G 7.32 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 0.00 0.00 0.00 0.00 60 P 0.00 4.65 0.00 2.19 2.11 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 61 D 8.33 4.22 0.00 2.57 2.49 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 0.00