NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 I 4.1905 8.0249 121.4548 61.4975 39.4873 176.7350 5 C 4.1264 8.3797 117.5173 62.1545 27.9209 172.5863 6 P 4.3370 0.0000 0.0000 65.6839 32.1741 177.2185 7 G 4.3627 8.0052 112.9990 44.8369 0.0000 172.2616 8 F 5.5672 8.1448 135.0000 58.6486 40.3684 175.7708 9 L 3.6413 7.3580 122.4251 57.8763 41.6481 178.6562 10 Q 3.9580 8.2153 117.5285 58.5541 28.5199 178.5325 11 V 3.8462 7.4105 118.2546 64.4608 31.8769 177.5891 12 L 3.7227 7.4022 120.4867 57.8840 41.7841 178.8663 13 E 3.9119 7.9324 117.6111 59.3512 29.6039 178.7415 14 A 4.4920 7.4723 120.3936 53.9349 18.3319 179.0912 15 L 4.2047 7.9531 118.3610 57.6645 42.2848 177.9326 16 L 4.4446 7.8516 117.8663 56.3525 42.2056 178.1573 17 L 4.5167 7.7041 116.2823 54.4514 41.4599 176.0424 18 G 4.3581 7.5660 106.4500 44.0238 0.0000 173.0609 19 S 5.0465 8.6832 111.2915 57.5025 65.5393 174.5452 20 E 4.9369 8.1780 119.0277 57.2634 32.0533 174.7861 21 S 4.7389 8.5220 119.9915 58.4912 62.1467 170.9673 22 N 4.4563 7.8991 116.4689 55.6490 38.0713 176.5905 23 Y 3.9340 8.1557 119.2765 60.6247 39.0601 177.4028 24 E 3.9203 8.4057 118.7241 59.4934 29.7281 179.1685 25 A 4.0012 8.1300 120.3890 54.9464 18.1226 179.4775 26 A 3.9576 7.7177 118.7451 54.7900 18.7545 179.1351 27 L 4.4060 7.7893 116.4858 55.9060 41.5778 178.7634 28 K 3.7725 7.5134 120.4894 59.3008 31.8568 176.7697 29 P 4.1522 0.0000 0.0000 64.9740 31.3452 177.3999 30 F 4.5848 7.0864 115.6018 57.4114 39.8555 175.3287 31 N 4.1361 7.9732 117.5166 52.8877 36.1856 172.6172 32 P 4.2608 0.0000 0.0000 62.9560 32.7082 176.8898 33 A 4.1548 8.5525 123.4929 52.2489 19.1152 177.8136 34 S 4.3265 8.6300 116.3752 60.1418 62.5272 176.1561 35 D 5.1297 8.8821 127.0908 57.7592 41.2865 178.1705 36 L 3.9323 8.0165 118.5962 58.2264 41.6696 179.3309 37 Q 4.0571 8.2310 119.2244 59.0730 29.0255 177.7741 38 N 4.2914 8.3355 118.0752 56.4413 37.0801 176.9908 39 A 4.1535 7.8901 123.2623 54.5222 18.1790 179.8493 40 G 4.4063 8.0085 104.9950 47.5661 0.0000 176.0240 41 T 4.0371 7.8110 117.5518 66.8043 68.5561 176.6164 42 Q 3.9194 8.0701 119.3266 58.9199 28.5401 178.3572 43 L 3.7925 7.6881 120.2877 58.3988 42.2380 178.8901 44 K 3.7893 7.5582 119.1464 59.1393 32.0934 178.8685 45 R 3.8459 7.7929 118.3858 59.5638 29.8730 178.8370 46 L 4.4953 7.8735 117.7857 57.2157 41.3525 179.4471 47 V 3.8144 7.7634 118.0673 65.2934 31.5013 176.6152 48 D 4.7816 7.9767 117.7098 54.5034 40.8046 177.4515 49 T 4.5525 7.6818 107.9070 61.0645 69.9660 173.4811 50 L 4.9072 7.4768 121.4359 52.2079 44.1903 175.3753 51 P 4.5525 0.0000 0.0000 63.0484 31.9101 176.3665 52 Q 4.2175 8.7026 116.2203 59.5720 29.0492 177.8911 53 E 4.0030 8.0917 119.0251 59.8333 29.5479 179.4698 54 T 3.9389 7.8722 115.0514 66.4198 68.4484 176.6071 55 R 3.9545 7.9810 120.5853 59.1989 30.1978 178.8732 56 I 3.8583 7.6645 118.7723 64.0410 37.0262 177.7226 57 N 4.4477 8.3026 118.4979 55.9910 38.5158 177.1990 58 I 3.6763 8.0953 121.2718 64.4004 37.0283 178.7364 59 V 3.7029 7.6192 118.4514 65.1145 31.5537 176.7095 60 K 4.3828 7.8854 115.4136 56.4907 32.5538 177.0290 61 L 4.4995 8.1363 121.8653 57.1374 43.3588 178.3905 62 T 3.9955 7.9450 115.2136 66.1619 68.1858 176.3053 63 E 4.0778 8.0557 120.4883 59.1437 29.6278 178.9175 64 K 4.0660 7.8841 116.8207 58.9637 32.1798 178.7762 65 I 3.9522 7.6536 118.4448 64.1935 38.1402 176.7733 66 L 4.2744 7.8864 118.6907 55.9622 42.9089 177.3262 67 T 4.2352 7.8418 117.1505 61.1231 66.5592 176.3863 68 S 4.2805 7.6326 116.6573 57.5263 64.0088 174.1047 69 P 4.4138 0.0000 0.0000 63.1924 31.4296 175.7888 70 L 3.6364 8.3595 120.5295 54.8804 40.6199 174.2423 71 C 4.0751 8.8153 112.8592 59.5842 29.1462 173.6334 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 4 I 8.02 4.19 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.05 0.76 0.00 0.00 5 C 8.38 4.13 0.00 3.08 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 6 P 0.00 4.34 0.00 2.24 2.09 0.00 3.65 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 2.16 2.12 0.00 7 G 8.01 4.36 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 0.00 8 F 8.14 5.57 0.00 3.03 3.41 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 9 L 7.36 3.64 0.00 1.73 1.62 0.88 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 10 Q 8.22 3.96 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.55 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 11 V 7.41 3.85 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 0.98 0.00 0.00 1.06 0.00 0.00 12 L 7.40 3.72 0.00 1.28 1.46 0.64 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 13 E 7.93 3.91 0.00 2.07 1.96 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 2.38 2.40 0.00 14 A 7.47 4.49 1.51 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 0.00 0.00 0.00 15 L 7.95 4.20 0.00 1.81 2.05 0.89 0.90 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 16 L 7.85 4.44 0.00 1.73 1.67 0.93 0.62 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 17 L 7.70 4.52 0.00 1.69 1.67 0.91 0.70 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 18 G 7.57 4.36 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 0.00 19 S 8.68 5.05 0.00 3.82 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 20 E 8.18 4.94 0.00 1.93 1.83 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 2.07 2.09 0.00 21 S 8.52 4.74 0.00 4.08 4.09 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 0.00 0.00 0.00 0.00 22 N 7.90 4.46 0.00 3.02 3.07 0.00 0.00 5.86 7.71 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 23 Y 8.16 3.93 0.00 3.39 3.04 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 24 E 8.41 3.92 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 2.55 2.66 0.00 25 A 8.13 4.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.72 3.96 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.79 4.41 0.00 1.81 1.73 0.28 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.51 3.77 0.00 1.91 1.74 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.48 7.81 29 P 0.00 4.15 0.00 1.32 1.80 0.00 3.46 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.85 0.00 30 F 7.09 4.58 0.00 3.24 3.02 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 31 N 7.97 4.14 0.00 2.91 2.87 0.00 0.00 7.17 7.42 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 32 P 0.00 4.26 0.00 2.32 2.14 0.00 3.80 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 33 A 8.55 4.15 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 34 S 8.63 4.33 0.00 3.86 3.72 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 35 D 8.88 5.13 0.00 2.69 2.87 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 0.00 0.00 0.00 36 L 8.02 3.93 0.00 1.94 1.78 0.93 0.76 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 37 Q 8.23 4.06 0.00 2.21 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.72 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 38 N 8.34 4.29 0.00 2.97 3.11 0.00 0.00 7.09 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.89 4.15 1.42 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 0.00 0.00 40 G 8.01 4.41 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 0.00 41 T 7.81 4.04 4.47 0.00 0.00 0.00 0.00 0.00 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 42 Q 8.07 3.92 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 43 L 7.69 3.79 0.00 1.65 1.77 0.35 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.56 3.79 0.00 1.12 1.62 0.00 1.42 0.00 0.00 1.74 0.00 0.00 3.29 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.42 7.81 45 R 7.79 3.85 0.00 2.00 1.93 0.00 3.16 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 46 L 7.87 4.50 0.00 1.56 1.73 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.76 3.81 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.93 0.00 0.00 48 D 7.98 4.78 0.00 2.72 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.68 4.55 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 50 L 7.48 4.91 0.00 1.63 1.61 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.55 0.00 2.03 2.04 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 52 Q 8.70 4.22 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 53 E 8.09 4.00 0.00 2.00 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 2.40 2.40 0.00 54 T 7.87 3.94 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 1.21 0.00 0.00 55 R 7.98 3.95 0.00 2.03 1.94 0.00 3.25 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 56 I 7.66 3.86 1.87 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 1.64 0.71 0.91 0.00 0.00 57 N 8.30 4.45 0.00 2.90 2.81 0.00 0.00 6.78 6.71 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 58 I 8.10 3.68 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.85 0.93 0.00 0.00 59 V 7.62 3.70 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 0.83 0.00 0.00 0.96 0.00 0.00 60 K 7.89 4.38 0.00 1.91 1.82 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.44 7.81 61 L 8.14 4.50 0.00 1.65 1.68 0.93 0.87 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 62 T 7.95 4.00 4.28 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 1.28 0.00 0.00 63 E 8.06 4.08 0.00 2.02 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 2.41 2.58 0.00 64 K 7.88 4.07 0.00 1.71 1.88 0.00 1.63 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.56 7.81 65 I 7.65 3.95 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.76 0.98 0.00 0.00 66 L 7.89 4.27 0.00 1.97 1.62 0.98 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 67 T 7.84 4.24 4.26 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 1.29 0.00 0.00 68 S 7.63 4.28 0.00 4.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.41 0.00 2.08 2.09 0.00 4.09 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 70 L 8.36 3.64 0.00 1.77 1.72 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 71 C 8.82 4.08 0.00 3.07 2.96 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