NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0150 8.3393 109.7705 43.4624 0.0000 174.1652 2 P 4.1579 0.0000 0.0000 58.8676 33.8559 173.1271 3 E 4.0594 8.4936 129.3989 56.6371 28.2299 173.3139 4 T 3.3706 8.3362 123.5462 62.2613 68.2700 171.8047 5 L 4.3994 7.9060 127.7826 55.3083 43.1114 176.3141 6 C 4.4096 8.5814 117.7984 57.9320 44.1218 174.3430 7 G 3.6943 7.8168 109.3289 45.3579 0.0000 173.0753 8 A 4.0822 8.0923 130.6192 54.0677 18.4724 180.1664 9 E 4.1568 8.3469 115.8771 58.4379 29.3127 179.1685 10 L 4.0416 7.9092 120.0805 59.3748 40.1259 179.7833 11 V 3.6732 8.0821 118.9836 65.6325 31.5614 177.7500 12 D 4.3686 8.1732 118.7531 56.3490 39.1099 178.5012 13 A 4.1997 7.7352 120.8878 54.7005 18.4683 179.0579 14 L 3.7469 8.3607 119.3444 58.6565 41.9904 179.1608 15 Q 3.9958 8.2900 115.6536 57.5390 28.6514 178.0552 16 F 4.3962 7.8944 115.9183 59.2643 37.8490 176.3118 17 V 3.4011 7.0489 118.0024 64.6643 31.8115 175.7128 18 C 4.2056 7.5073 122.8219 57.2431 38.3827 173.2790 19 G 4.0558 8.9006 109.1072 45.0685 0.0000 170.2773 20 D 4.7659 8.8305 128.5966 55.8469 42.4397 175.4111 21 R 4.1052 7.3463 119.4797 53.8396 27.8487 173.8662 22 G 3.7005 7.8947 106.4047 43.8251 0.0000 169.6202 23 F 5.1383 8.2822 114.3107 56.2998 40.3232 173.4265 24 Y 4.4994 8.5228 119.1404 56.2077 41.6690 174.6914 25 F 5.1021 8.0881 129.4808 57.9887 39.9352 172.9953 26 N 3.9674 8.6136 128.9307 52.9284 34.0134 175.4420 27 K 3.9848 8.1232 118.1303 57.7391 33.0479 174.5039 28 P 3.4389 0.0000 0.0000 62.1771 33.3473 175.5227 29 G 3.9655 8.6237 109.9634 46.8181 0.0000 175.0466 30 I 4.1826 6.5056 114.3069 62.0786 37.8807 178.0016 31 V 3.4356 7.5040 114.4421 63.5445 31.5321 177.8206 32 D 4.3073 8.0593 117.1703 57.7886 40.7144 178.4713 33 E 3.1211 7.5676 117.0582 58.9032 29.5306 178.3594 34 C 3.8577 7.3042 118.1771 59.5481 43.4004 175.4278 35 C 4.9125 7.7197 115.4131 57.3179 39.9691 175.5806 36 F 4.0793 7.9465 121.8648 58.4116 38.5646 176.5753 37 R 4.2030 7.3364 112.7305 56.6185 29.7692 175.1600 38 S 3.6820 8.3299 111.4491 59.7534 60.6175 173.1204 39 C 3.9885 7.7311 118.4966 56.4507 44.7237 171.8534 40 D 5.3434 8.7278 121.7807 52.4518 44.4627 174.7065 41 L 4.6311 8.3170 122.1103 54.4154 44.1377 177.4576 42 R 4.0857 8.6634 125.9839 57.9457 29.5850 178.1561 43 R 4.1057 7.6887 115.7187 57.6472 30.7884 177.5672 44 L 2.7164 8.0584 119.7066 58.4905 41.9157 177.8931 45 E 4.3890 7.5159 114.6136 56.8204 29.0384 176.4995 46 M 4.8028 7.9989 116.3398 55.0024 33.5160 175.0062 47 Y 4.6673 8.0464 117.3474 58.3781 40.0571 177.0477 48 C 4.7284 8.0629 118.1721 56.6202 43.5384 172.8695 49 A 3.6352 7.8744 117.3443 52.1048 15.6534 175.7900 50 P 4.9099 0.0000 0.0000 60.7411 34.8326 174.1827 51 L 3.9082 8.7405 123.5105 57.3610 39.3153 178.1609 52 K 4.0822 9.7069 115.7336 59.6884 34.6384 178.0173 53 P 4.1144 0.0000 0.0000 60.9870 33.8460 175.8773 54 A 4.7651 8.5366 129.0808 52.6406 19.3141 177.5113 55 K 3.9862 8.1731 118.8661 60.0707 32.2658 178.7783 56 S 4.2105 7.7056 117.1600 58.5134 60.9164 173.8159 57 A 3.9920 8.2338 130.2985 53.1774 18.1613 177.8915 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 G 8.34 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 2 P 0.00 4.16 0.00 2.30 2.06 0.00 3.99 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 3 E 8.49 4.06 0.00 2.05 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00 4 T 8.34 3.37 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 nan 0.00 0.00 5 L 7.91 4.40 0.00 1.77 1.59 0.95 0.92 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 6 C 8.58 4.41 0.00 2.92 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 7 G 7.82 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.09 4.08 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.35 4.16 0.00 2.04 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 0.00 2.42 2.36 0.00 10 L 7.91 4.04 0.00 2.08 2.15 0.93 0.72 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 11 V 8.08 3.67 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 0.97 0.00 0.00 0.98 0.00 0.00 12 D 8.17 4.37 0.00 3.03 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 13 A 7.74 4.20 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.36 3.75 0.00 1.87 2.09 1.26 0.86 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 15 Q 8.29 4.00 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.78 0.00 0.00 0.00 0.00 0.00 2.15 2.27 0.00 16 F 7.89 4.40 0.00 2.92 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.05 3.40 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 -0.30 0.00 0.00 18 C 7.51 4.21 0.00 2.21 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 0.00 0.00 0.00 19 G 8.90 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.83 4.77 0.00 2.84 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 7.35 4.11 0.00 1.80 1.74 0.00 3.19 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.52 0.00 22 G 7.89 3.70 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 0.00 0.00 0.00 23 F 8.28 5.14 0.00 3.29 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 24 Y 8.52 4.50 0.00 3.01 2.89 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 0.00 0.00 0.00 25 F 8.09 5.10 0.00 2.79 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 26 N 8.61 3.97 0.00 2.98 3.21 0.00 0.00 6.26 7.13 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 27 K 8.12 3.98 0.00 2.05 1.97 0.00 1.86 0.00 0.00 2.25 0.00 0.00 3.21 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.55 1.55 7.81 28 P 0.00 3.44 0.00 2.19 2.32 0.00 3.64 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.94 0.00 29 G 8.62 3.97 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 0.00 0.00 0.00 30 I 6.51 4.18 1.73 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.96 0.66 0.00 0.00 31 V 7.50 3.44 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 0.71 0.00 0.00 0.92 0.00 0.00 32 D 8.06 4.31 0.00 2.73 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 33 E 7.57 3.12 0.00 1.94 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.22 0.00 34 C 7.30 3.86 0.00 1.23 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 35 C 7.72 4.91 0.00 3.04 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 36 F 7.95 4.08 0.00 3.01 3.06 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 0.00 0.00 0.00 0.00 37 R 7.34 4.20 0.00 1.92 2.23 0.00 3.48 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 38 S 8.33 3.68 0.00 4.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 C 7.73 3.99 0.00 2.90 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 40 D 8.73 5.34 0.00 2.89 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.32 4.63 0.00 1.74 1.56 1.01 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.66 4.09 0.00 2.13 2.04 0.00 3.25 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 43 R 7.69 4.11 0.00 1.85 2.12 0.00 3.66 0.00 0.00 3.36 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.61 0.00 44 L 8.06 2.72 0.00 1.63 1.60 0.70 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 45 E 7.52 4.39 0.00 2.09 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 46 M 8.00 4.80 0.00 1.93 1.97 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 2.50 2.49 0.00 47 Y 8.05 4.67 0.00 2.88 3.06 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 0.00 0.00 0.00 0.00 48 C 8.06 4.73 0.00 3.08 2.94 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 0.00 0.00 0.00 49 A 7.87 3.64 1.35 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 0.00 0.00 0.00 50 P 0.00 4.91 0.00 2.09 1.87 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.96 0.00 51 L 8.74 3.91 0.00 1.74 1.51 0.93 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 52 K 9.71 4.08 0.00 1.87 1.98 0.00 1.58 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.39 1.40 7.81 53 P 0.00 4.11 0.00 2.04 1.51 0.00 3.58 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.01 0.00 54 A 8.54 4.77 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.17 3.99 0.00 1.87 1.84 0.00 1.78 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.56 7.81 56 S 7.71 4.21 0.00 4.02 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 57 A 8.23 3.99 1.36 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 0.00 0.00