NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.6865 8.1293 118.3351 57.6616 38.7626 174.8354 2 P 4.2582 0.0000 0.0000 62.8900 32.3020 175.5507 3 S 4.7602 7.8004 111.5598 56.2579 67.1692 175.0748 4 K 4.0877 8.6246 121.6695 58.5009 32.2373 175.6163 5 P 4.6876 0.0000 0.0000 61.8334 32.5267 174.6094 6 D 4.9449 8.2650 117.4672 51.4212 41.8281 174.7482 7 N 4.9825 8.2243 118.7988 50.9587 40.1268 173.4975 8 P 4.6075 0.0000 0.0000 62.8997 31.2397 179.4345 9 G 4.2509 8.7955 113.7260 48.0469 0.0000 176.9326 10 E 4.3135 8.3947 119.2065 56.3275 28.6016 177.0360 11 D 4.5500 8.5075 116.8463 54.6456 41.4460 176.8917 12 A 4.6650 7.6032 122.5367 51.6261 19.5975 176.4155 13 P 4.3361 0.0000 0.0000 65.4837 31.4605 177.0612 14 A 3.8954 7.7892 121.2391 54.7365 18.2770 178.7623 15 E 3.9840 8.0037 117.7201 58.7709 29.8937 177.9007 16 D 4.1370 7.5751 116.7235 57.1423 41.5241 177.6358 17 M 2.9811 7.9529 117.5004 57.3185 30.9984 178.6223 18 A 3.5580 6.8225 122.2447 55.0151 18.6354 179.7288 19 R 4.7305 7.8480 113.9915 57.1723 29.7010 177.8194 20 Y 4.8137 7.5972 119.1873 59.8259 38.8251 177.1667 21 Y 4.7841 7.3758 116.3016 59.5600 38.1431 177.0143 22 S 4.6683 8.0229 113.9417 60.0995 64.6601 175.7700 23 A 4.0524 8.4781 125.3868 54.7932 18.1880 179.6908 24 L 3.8603 8.3880 117.5022 57.5725 41.6753 179.7049 25 R 3.9049 8.0448 118.2775 59.9057 30.1651 177.8808 26 H 4.1896 9.0191 118.5265 59.3844 29.6831 176.5959 27 Y 3.8102 8.5709 118.9741 61.3805 37.8131 178.6187 28 I 3.3326 8.6007 120.7478 64.8305 36.9468 178.2064 29 N 4.4014 7.8749 116.0587 55.5074 38.6371 176.3819 30 L 4.3154 7.7634 120.8783 56.5039 42.6869 178.3521 31 I 3.5837 8.3787 119.9806 64.0132 37.7108 177.4723 32 T 3.6486 7.5870 113.1046 64.9468 67.1779 176.0122 33 R 3.8781 7.6028 119.4785 59.3250 30.1460 178.3726 34 Q 3.8411 7.2079 116.0878 59.2670 28.8019 179.5438 35 R 3.9745 7.3175 117.3068 59.5134 30.2143 176.2950 36 Y 4.5186 7.3773 119.3834 58.3351 37.9235 175.3309 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 Y 8.13 4.69 0.00 3.03 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 2 P 0.00 4.26 0.00 2.26 2.18 0.00 3.67 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 3 S 7.80 4.76 0.00 4.13 3.84 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 4 K 8.62 4.09 0.00 1.73 1.87 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.47 7.81 5 P 0.00 4.69 0.00 2.23 2.06 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 6 D 8.27 4.94 0.00 2.75 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.22 4.98 0.00 3.04 2.90 0.00 0.00 6.30 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.61 0.00 2.23 2.30 0.00 3.81 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 2.06 1.96 0.00 9 G 8.80 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 0.00 0.00 0.00 0.00 10 E 8.39 4.31 0.00 1.88 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 0.00 2.31 2.28 0.00 11 D 8.51 4.55 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 12 A 7.60 4.67 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 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.34 0.00 2.14 2.21 0.00 3.76 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 14 A 7.79 3.90 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 15 E 8.00 3.98 0.00 2.02 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 2.20 2.26 0.00 16 D 7.58 4.14 0.00 2.47 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 0.00 0.00 0.00 17 M 7.95 2.98 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 18 A 6.82 3.56 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.85 4.73 0.00 1.92 1.98 0.00 3.08 0.00 0.00 3.20 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 20 Y 7.60 4.81 0.00 2.76 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 7.38 4.78 0.00 3.06 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.02 4.67 0.00 4.10 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 0.00 23 A 8.48 4.05 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.39 3.86 0.00 1.76 1.69 0.34 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.04 3.90 0.00 2.08 2.23 0.00 3.21 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 26 H 9.02 4.19 0.00 3.43 3.49 0.00 5.65 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.57 3.81 0.00 3.10 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 28 I 8.60 3.33 2.17 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.50 0.98 0.00 0.00 29 N 7.87 4.40 0.00 2.86 2.87 0.00 0.00 7.15 8.48 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 30 L 7.76 4.32 0.00 1.69 1.66 0.67 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.38 3.58 1.85 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.08 0.95 0.00 0.00 32 T 7.59 3.65 4.24 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 1.19 0.00 0.00 33 R 7.60 3.88 0.00 1.98 1.95 0.00 3.22 0.00 0.00 3.37 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 34 Q 7.21 3.84 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.53 2.45 0.00 35 R 7.32 3.97 0.00 1.21 1.89 0.00 3.05 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 36 Y 7.38 4.52 0.00 3.01 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