NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5992 8.2076 120.4944 54.6091 43.2145 177.5926 2 Y 4.0615 7.3629 117.5486 59.4793 37.8935 176.6215 3 L 3.9952 7.8474 121.7860 57.6797 42.2535 180.5343 4 R 3.9377 7.8264 117.5408 59.3565 30.0100 178.8259 5 E 4.0541 8.3390 118.3849 59.1911 29.3894 179.4326 6 L 4.0205 8.0075 119.2659 57.6228 41.6266 179.0612 7 L 3.9748 8.0507 120.2958 58.2519 42.0070 179.2048 8 K 3.9553 8.1597 118.2866 59.3954 31.9819 179.0428 9 L 4.0018 8.0078 120.6154 58.1663 41.8959 178.9147 10 E 4.0220 8.4006 118.5786 59.4161 29.4008 179.2872 11 L 3.9839 8.2696 119.3658 57.7599 41.6825 179.3132 12 Q 3.9319 8.2640 119.2705 59.1733 28.9769 178.3066 13 A 4.0492 8.1989 121.7467 55.2170 18.4195 179.6770 14 I 3.7596 8.1568 118.6882 64.2843 37.1851 178.4484 15 K 3.8975 8.0247 120.4323 59.8616 32.0816 178.8805 16 Q 3.9568 8.1234 118.1307 59.1115 28.5524 178.4045 17 Y 4.0480 8.4315 118.2848 60.9998 37.8699 178.7003 18 R 3.9926 8.3230 119.1403 59.3188 30.1006 178.9284 19 E 4.1515 8.3023 118.1882 59.3471 29.4305 179.2974 20 A 4.0157 8.1268 120.7627 55.2881 18.2610 179.7622 21 L 4.1975 7.9837 116.3440 57.9285 41.7370 179.3370 22 E 4.1099 8.1855 117.8264 58.9286 29.3709 177.8651 23 Y 4.3584 7.4125 118.2318 57.7398 39.7821 175.9276 24 V 4.2717 7.3703 117.4497 59.5464 34.4480 175.3571 25 K 4.2072 8.4746 124.2833 55.3881 31.0168 175.5644 26 L 4.6747 7.7530 125.4092 51.0883 43.0937 175.8279 27 P 4.1741 0.0000 0.0000 65.3876 31.4510 177.9774 28 V 3.6205 7.9041 117.4971 65.0514 30.9955 178.2597 29 L 4.0104 8.2165 119.2841 57.4879 41.3687 179.3743 30 A 3.9527 7.8453 120.3313 54.8140 18.3825 179.4536 31 K 3.8239 8.1950 118.4272 59.5961 32.2055 179.2543 32 I 3.4957 7.7883 120.3452 64.0570 36.8894 178.1001 33 L 3.6225 7.8255 121.5359 57.8256 41.9271 178.4215 34 E 3.7822 8.2401 119.5468 59.4893 29.4621 178.5215 35 D 4.0597 7.7341 118.5377 57.4823 40.8957 178.8273 36 E 3.7581 7.9223 118.9054 59.3381 29.4030 179.2703 37 E 3.8929 8.2067 118.7831 59.0660 29.4435 179.3880 38 K 3.5140 7.6109 119.5809 59.5137 32.0950 178.5070 39 H 3.9409 7.8646 116.8206 59.0049 28.5829 177.8443 40 I 3.7034 7.7175 121.4238 64.2166 36.9127 178.0364 41 E 3.9378 7.9999 120.1797 59.1992 29.4697 179.0132 42 W 4.4762 8.1859 118.9197 59.8612 29.1195 178.5832 43 L 4.1114 8.4882 119.3500 57.8389 40.8348 179.3273 44 E 4.0080 8.2487 117.7077 59.6371 29.4397 179.2235 45 T 4.0435 7.8734 114.7143 66.9867 68.7025 176.3156 46 I 3.8311 7.6502 120.1077 65.0025 37.4847 176.8570 47 L 4.6147 7.8158 118.7915 53.2658 45.1909 177.0256 48 G 3.7338 8.4984 108.0989 46.6008 0.0000 173.5720 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 1 D 8.21 4.60 0.00 2.84 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.36 4.06 0.00 3.34 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 3 L 7.85 4.00 0.00 1.49 1.66 0.76 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 4 R 7.83 3.94 0.00 1.82 1.96 0.00 3.10 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 5 E 8.34 4.05 0.00 2.20 2.04 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 2.55 2.54 0.00 6 L 8.01 4.02 0.00 1.94 1.77 1.03 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.05 3.97 0.00 1.78 1.87 0.94 0.57 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 8 K 8.16 3.96 0.00 2.03 1.86 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.61 7.81 9 L 8.01 4.00 0.00 1.92 1.84 0.94 1.08 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 10 E 8.40 4.02 0.00 2.21 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 2.58 2.53 0.00 11 L 8.27 3.98 0.00 1.84 1.72 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 8.26 3.93 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 13 A 8.20 4.05 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.16 3.76 1.90 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 1.40 0.67 0.93 0.00 0.00 15 K 8.02 3.90 0.00 1.85 1.99 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.49 7.81 16 Q 8.12 3.96 0.00 1.99 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 17 Y 8.43 4.05 0.00 3.14 2.97 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 0.00 0.00 0.00 0.00 18 R 8.32 3.99 0.00 2.10 2.00 0.00 3.23 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 19 E 8.30 4.15 0.00 2.00 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 2.33 2.43 0.00 20 A 8.13 4.02 1.39 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 0.00 0.00 21 L 7.98 4.20 0.00 1.99 1.79 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.19 4.11 0.00 2.14 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 2.37 2.64 0.00 23 Y 7.41 4.36 0.00 3.05 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.37 4.27 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 0.85 0.00 0.00 0.95 0.00 0.00 25 K 8.47 4.21 0.00 1.70 1.78 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.51 7.81 26 L 7.75 4.67 0.00 1.73 1.57 0.97 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.17 0.00 2.15 2.10 0.00 3.61 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 2.12 2.19 0.00 28 V 7.90 3.62 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 0.84 0.00 0.00 0.94 0.00 0.00 29 L 8.22 4.01 0.00 1.89 1.96 1.02 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.85 3.95 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 31 K 8.19 3.82 0.00 1.84 1.96 0.00 1.48 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.46 7.81 32 I 7.79 3.50 1.36 0.00 0.00 0.89 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 0.42 0.21 0.00 0.00 33 L 7.83 3.62 0.00 1.71 1.76 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.24 3.78 0.00 2.06 2.05 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 2.20 2.28 0.00 35 D 7.73 4.06 0.00 2.73 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 7.92 3.76 0.00 1.88 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 2.31 2.41 0.00 37 E 8.21 3.89 0.00 2.02 1.90 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 2.27 2.41 0.00 38 K 7.61 3.51 0.00 1.48 1.43 0.00 1.51 0.00 0.00 1.40 0.00 0.00 2.46 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.87 7.81 39 H 7.86 3.94 0.00 3.24 3.29 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.72 3.70 1.98 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.90 0.90 0.00 0.00 41 E 8.00 3.94 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 2.39 2.53 0.00 42 W 8.19 4.48 0.00 3.60 3.13 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 43 L 8.49 4.11 0.00 1.86 1.76 1.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.25 4.01 0.00 2.15 2.04 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 2.36 2.54 0.00 45 T 7.87 4.04 4.56 0.00 0.00 0.00 0.00 0.00 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 46 I 7.65 3.83 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.64 0.90 0.00 0.00 47 L 7.82 4.61 0.00 1.89 1.63 0.86 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.50 3.73 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 0.00 0.00 0.00