NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5569 8.2076 120.1656 54.5100 43.3548 177.5699 2 Y 4.0212 7.6038 117.1353 59.1253 37.8810 176.4717 3 L 3.9083 7.0055 121.2089 57.3980 42.1676 179.9967 4 R 3.8585 7.7557 118.2273 59.5635 29.9731 178.1818 5 E 3.9754 8.3752 118.3636 59.4044 29.3472 179.4098 6 L 4.0076 7.8908 118.6660 57.6134 41.6417 179.1707 7 L 3.9391 8.0027 120.2717 58.0922 42.0196 178.8631 8 K 3.8899 8.3227 119.7218 59.6349 32.0595 178.6543 9 L 4.0185 8.1440 119.2205 57.8657 41.5412 179.3961 10 E 4.0436 8.5382 118.7726 59.4468 29.4306 179.4038 11 L 4.0794 8.1926 119.2071 57.8220 41.6545 179.4173 12 Q 4.0621 8.2930 119.7722 58.8453 28.9110 177.8186 13 G 3.9071 8.4269 107.2469 48.2725 0.0000 175.1491 14 I 3.7885 8.3921 122.9258 63.8130 37.2688 178.1616 15 K 3.8657 7.9477 119.8981 59.9715 31.9327 178.8189 16 Q 3.9803 8.1730 118.0490 58.9842 28.4776 178.3536 17 Y 4.1732 8.1616 118.0247 61.2149 38.0746 178.6698 18 R 3.9828 8.3770 119.1819 59.2505 29.9982 178.9590 19 E 4.0143 8.4348 118.2613 59.4426 29.4545 179.3242 20 A 4.0733 8.3599 121.1464 54.8409 18.4192 179.4433 21 L 3.9618 8.3016 119.2810 58.5275 41.9877 179.1797 22 E 4.0486 7.9841 116.9394 59.0925 29.3733 178.5305 23 Y 4.0911 7.7618 119.3454 60.1177 39.1708 177.0289 24 V 4.1995 8.1152 118.2930 60.5775 32.5476 177.1770 25 K 4.0318 7.9939 116.6966 56.5648 30.4343 175.6624 26 L 4.0866 7.3784 120.5197 54.2503 41.9669 176.3465 27 P 4.2936 0.0000 0.0000 65.7347 31.1102 178.9852 28 V 3.6605 7.7666 117.4228 64.7367 31.2206 178.3132 29 L 3.8957 8.1063 119.4155 57.2688 41.4605 179.1819 30 A 3.9265 7.7948 120.6432 54.9257 18.2372 179.4274 31 K 3.8783 7.9415 118.2566 59.4420 32.2071 179.1608 32 I 3.5075 7.8847 120.5621 64.2918 36.8762 178.1363 33 L 3.8009 7.7222 119.7583 58.0437 41.3352 179.5801 34 E 4.0270 7.9135 117.7746 59.4108 29.3139 179.2007 35 D 4.1415 7.6124 119.1585 57.2397 40.8112 178.6149 36 E 3.8302 8.1028 119.1722 59.3113 29.4671 179.2043 37 E 3.8588 8.3491 119.0378 59.1517 29.4880 179.3675 38 K 3.4891 7.4456 119.3227 59.5586 32.0933 178.4341 39 H 4.2357 8.1298 116.8637 59.2193 28.5592 177.8285 40 I 3.7293 7.9182 121.4952 64.2360 36.9330 178.1719 41 E 4.0856 7.8328 119.8535 58.9609 29.4412 178.9146 42 W 4.4766 8.1187 119.0806 59.8290 29.0337 178.5012 43 L 4.0723 8.4261 119.2173 57.9641 40.8701 179.3081 44 E 3.9737 8.3155 117.6018 59.8426 29.7566 179.4301 45 T 4.0999 7.9224 115.5545 66.6374 68.3488 176.9039 46 I 3.7564 7.7467 120.6964 64.1954 37.2409 177.6106 47 L 4.3263 7.9467 116.9585 54.6120 41.7262 177.2039 48 G 4.0409 7.7892 113.7797 45.7469 0.0000 173.5270 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 4.56 0.00 2.71 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 7.60 4.02 0.00 3.43 3.25 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 3 L 7.01 3.91 0.00 1.41 1.60 0.70 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 4 R 7.76 3.86 0.00 1.81 2.04 0.00 3.16 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 5 E 8.38 3.98 0.00 2.25 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 2.52 2.55 0.00 6 L 7.89 4.01 0.00 1.93 1.76 1.03 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.00 3.94 0.00 1.77 1.84 0.94 0.51 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 8.32 3.89 0.00 1.85 2.05 0.00 1.70 0.00 0.00 1.65 0.00 0.00 3.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.50 7.81 9 L 8.14 4.02 0.00 1.95 1.74 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.54 4.04 0.00 2.16 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 2.57 2.56 0.00 11 L 8.19 4.08 0.00 1.86 1.73 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 8.29 4.06 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 13 G 8.43 3.91 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 0.00 0.00 0.00 14 I 8.39 3.79 2.05 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 1.45 0.85 0.93 0.00 0.00 15 K 7.95 3.87 0.00 1.85 2.03 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.50 7.81 16 Q 8.17 3.98 0.00 1.85 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.59 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 17 Y 8.16 4.17 0.00 3.16 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 18 R 8.38 3.98 0.00 1.89 2.01 0.00 3.15 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 19 E 8.43 4.01 0.00 2.20 2.01 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 2.34 2.55 0.00 20 A 8.36 4.07 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 0.00 0.00 21 L 8.30 3.96 0.00 1.97 1.91 0.94 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 22 E 7.98 4.05 0.00 2.25 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 2.37 2.58 0.00 23 Y 7.76 4.09 0.00 2.91 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 V 8.12 4.20 2.28 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 0.94 0.00 0.00 1.02 0.00 0.00 25 K 7.99 4.03 0.00 1.95 1.98 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.38 7.81 26 L 7.38 4.09 0.00 1.81 1.63 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.29 0.00 2.14 2.11 0.00 3.60 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 28 V 7.77 3.66 2.08 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 1.02 0.00 0.00 0.92 0.00 0.00 29 L 8.11 3.90 0.00 1.77 1.85 1.01 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.79 3.93 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.94 3.88 0.00 1.77 1.75 0.00 1.63 0.00 0.00 1.60 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.58 7.81 32 I 7.88 3.51 1.44 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.41 0.13 0.00 0.00 33 L 7.72 3.80 0.00 1.80 1.65 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 34 E 7.91 4.03 0.00 2.09 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 2.26 2.46 0.00 35 D 7.61 4.14 0.00 2.60 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 3.83 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 2.38 2.50 0.00 37 E 8.35 3.86 0.00 1.99 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 38 K 7.45 3.49 0.00 1.39 1.56 0.00 1.27 0.00 0.00 1.34 0.00 0.00 2.64 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.30 0.45 7.81 39 H 8.13 4.24 0.00 3.30 3.38 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 7.92 3.73 1.97 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 1.42 0.80 0.91 0.00 0.00 41 E 7.83 4.09 0.00 1.95 1.88 0.00 0.00 0.00 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 2.35 0.00 42 W 8.12 4.48 0.00 3.62 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 43 L 8.43 4.07 0.00 1.73 1.76 0.98 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.32 3.97 0.00 2.11 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 2.36 2.67 0.00 45 T 7.92 4.10 4.51 0.00 0.00 0.00 0.00 0.00 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 46 I 7.75 3.76 2.05 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 1.52 0.62 0.89 0.00 0.00 47 L 7.95 4.33 0.00 1.69 1.68 0.93 1.11 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 48 G 7.79 4.04 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 0.00 0.00 0.00