NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3629 8.3001 120.3310 53.3459 32.8644 173.0660 2 A 4.3473 6.7478 121.0431 51.5261 23.6829 171.4039 3 E 4.4674 8.8533 116.6523 56.6107 31.6754 173.9731 4 D 4.6813 7.9998 115.3862 53.2567 42.7546 175.3846 5 W 4.3427 8.5285 118.3590 57.1661 28.7571 175.6197 6 L 4.8642 8.4539 124.1112 52.1923 44.7460 175.6503 7 D 4.5892 8.7609 119.9330 55.5500 41.5835 176.1496 8 C 4.3522 8.7552 124.0480 58.5199 32.0206 172.3534 9 P 4.1231 0.0000 0.0000 65.9017 31.6557 177.3125 10 A 4.1550 8.1556 121.4013 54.7911 18.3325 178.7092 11 L 4.0092 7.9324 113.4972 58.3265 41.8312 176.8115 12 G 3.7765 7.1213 108.5896 44.0827 0.0000 171.1360 13 P 4.5850 0.0000 0.0000 63.3637 32.4937 175.1328 14 G 4.3184 9.0055 108.6170 45.0941 0.0000 173.7957 15 W 4.6167 7.5655 127.5360 56.1540 32.4275 175.1238 16 K 4.6605 7.9361 128.4900 55.1521 33.7365 175.0366 17 R 4.4891 9.0065 128.8370 54.9654 31.1621 174.2477 18 R 4.7194 8.5697 126.9063 54.4134 32.0683 174.6602 19 E 4.9389 8.2520 121.7979 54.5696 32.9286 174.7336 20 V 4.3014 8.2719 119.3001 60.1377 35.8393 174.5731 21 F 3.8955 8.0694 119.2318 58.5057 36.7058 176.5825 22 R 4.3298 7.9851 120.8204 57.7214 30.8008 176.7040 23 K 4.0157 7.4061 116.4934 58.1011 32.2571 176.9638 24 S 4.1506 8.1410 116.2662 57.9519 63.6331 172.9207 25 G 4.1562 8.8351 113.0780 43.0108 0.0000 172.4366 26 A 4.1553 8.1833 125.1851 52.0542 18.7666 178.8313 27 T 3.9842 8.3995 115.1552 66.0078 68.4322 174.9037 28 C 4.6858 7.7502 121.2518 58.6254 32.0402 174.1487 29 G 3.5672 7.9876 108.5735 44.2738 0.0000 173.8167 30 R 3.7137 8.4103 126.5089 56.5379 30.1102 175.5968 31 S 5.4640 8.3810 120.2491 56.6550 64.4469 173.9549 32 D 4.6719 8.7205 124.3310 54.2200 42.8065 175.3710 33 T 4.5305 7.7723 115.9880 61.9723 72.5889 172.5522 34 Y 5.1050 7.9664 122.9245 56.3472 41.8873 174.3587 35 Y 5.5719 8.4780 119.1905 56.3719 42.0805 174.3953 36 Q 4.6532 8.1538 122.0708 54.1783 31.4408 175.4782 37 S 4.1466 8.1772 122.8525 57.3780 64.4348 172.9314 38 P 4.6636 0.0000 0.0000 63.9392 30.9186 176.6446 39 T 4.3624 7.7372 113.4001 61.6046 69.1835 174.2614 40 G 3.9250 8.2184 109.0010 45.2951 0.0000 173.0528 41 D 4.7420 8.2184 121.1066 52.5175 41.8932 175.5632 42 R 4.8030 8.3722 121.0926 55.5012 30.9964 176.0169 43 I 4.7894 8.5735 122.2992 59.7197 41.4611 176.3373 44 R 5.0763 8.5161 120.1994 56.5881 32.6402 175.3795 45 S 4.2398 7.5982 111.9621 56.9209 63.4222 175.1919 46 K 3.7886 7.2553 121.3818 57.1332 31.3191 177.0660 47 V 3.6423 8.6286 118.7733 66.0652 31.9388 175.5975 48 E 3.9483 7.7318 118.4549 59.3945 29.3471 178.9696 49 L 4.3760 8.2054 119.4787 59.2685 40.6269 178.8119 50 T 3.7421 7.8843 116.8091 66.3441 68.2404 176.2797 51 R 3.9843 8.3791 119.2202 59.9963 29.3468 177.5404 52 Y 4.3414 7.6849 120.0933 59.9194 38.8905 176.8003 53 L 3.6134 8.1160 121.6740 59.1502 42.1680 176.2702 54 G 3.7835 8.1401 103.3287 43.6129 0.0000 172.6653 55 P 4.5194 0.0000 0.0000 63.3519 31.4912 176.8114 56 A 4.1716 7.3666 121.5230 54.0502 18.9046 177.2894 57 C 4.8383 7.4462 111.4159 58.2404 32.3171 172.6620 58 D 4.7266 7.9407 118.5709 52.7500 41.6089 175.4160 59 L 4.8877 8.5504 117.6472 55.2266 44.6470 178.1194 60 T 3.9100 8.3533 117.4533 66.6845 68.3270 174.8148 61 L 4.5724 7.8581 117.7926 54.2279 42.4839 176.0861 62 F 4.4640 8.2934 122.7044 58.1983 40.1514 174.2537 63 D 4.4278 8.4435 129.1593 53.0140 41.1189 177.6450 64 F 5.1042 8.6941 131.0539 56.4601 37.8104 173.5660 65 K 4.7231 6.9312 128.1026 57.5281 36.3187 176.8296 66 Q 4.1124 8.1591 116.3172 56.1176 29.2659 176.1725 67 G 4.1570 8.2737 104.9511 45.9024 0.0000 173.0198 68 I 4.9174 6.9782 110.5750 58.7358 40.8634 173.6573 69 L 5.3391 8.2685 119.6667 53.7395 43.3552 175.1534 70 C 5.1070 8.6161 117.5327 58.3710 31.3906 174.0176 71 Y 4.5897 8.0462 119.9048 55.1036 38.1582 173.2078 72 P 4.0518 0.0000 0.0000 62.6317 29.9736 174.4566 73 A 3.6093 8.0731 124.7550 52.8057 15.6214 175.3426 74 P 4.6693 0.0000 0.0000 62.2099 30.0571 177.4301 75 K 4.1910 7.7711 123.2038 57.2420 32.2189 176.8177 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 M 8.30 4.36 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.56 0.00 2 A 6.75 4.35 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 3 E 8.85 4.47 0.00 1.91 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 2.06 2.14 0.00 4 D 8.00 4.68 0.00 2.48 2.38 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 5 W 8.53 4.34 0.00 3.21 3.23 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 6 L 8.45 4.86 0.00 1.58 1.57 0.92 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.76 4.59 0.00 2.58 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 8 C 8.76 4.35 0.00 3.17 3.16 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 9 P 0.00 4.12 0.00 2.25 2.18 0.00 3.87 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 10 A 8.16 4.15 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 11 L 7.93 4.01 0.00 1.50 1.42 -0.36 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 12 G 7.12 3.78 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 0.00 0.00 0.00 13 P 0.00 4.59 0.00 2.22 2.08 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 14 G 9.01 4.32 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 0.00 15 W 7.57 4.62 0.00 3.37 2.93 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 16 K 7.94 4.66 0.00 1.97 2.00 0.00 1.57 0.00 0.00 1.56 0.00 0.00 2.72 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.53 1.59 7.81 17 R 9.01 4.49 0.00 1.83 1.80 0.00 2.98 0.00 0.00 3.10 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 18 R 8.57 4.72 0.00 0.67 0.80 0.00 2.57 0.00 0.00 2.69 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.50 0.00 19 E 8.25 4.94 0.00 1.83 1.76 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 0.00 2.03 2.10 0.00 20 V 8.27 4.30 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.53 0.00 0.00 21 F 8.07 3.90 0.00 3.19 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 22 R 7.99 4.33 0.00 1.69 2.03 0.00 3.36 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 23 K 7.41 4.02 0.00 1.76 1.64 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.34 7.81 24 S 8.14 4.15 0.00 3.84 3.80 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 25 G 8.84 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 0.00 0.00 0.00 26 A 8.18 4.16 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 27 T 8.40 3.98 4.23 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 1.20 0.00 0.00 28 C 7.75 4.69 0.00 2.87 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 29 G 7.99 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.41 3.71 0.00 1.72 1.83 0.00 3.21 0.00 0.00 3.30 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 31 S 8.38 5.46 0.00 4.10 3.87 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 32 D 8.72 4.67 0.00 2.55 2.11 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 33 T 7.77 4.53 3.39 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 1.29 0.00 0.00 34 Y 7.97 5.11 0.00 2.76 2.69 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 35 Y 8.48 5.57 0.00 3.32 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.15 4.65 0.00 2.04 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.74 5.93 0.00 0.00 0.00 0.00 0.00 1.92 2.06 0.00 37 S 8.18 4.15 0.00 4.05 4.39 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 38 P 0.00 4.66 0.00 2.12 2.21 0.00 4.02 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 39 T 7.74 4.36 4.34 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 1.48 0.00 0.00 40 G 8.22 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 0.00 0.00 0.00 41 D 8.22 4.74 0.00 2.63 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.37 4.80 0.00 1.83 1.95 0.00 3.10 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 43 I 8.57 4.79 2.25 0.00 0.00 1.21 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 0.90 1.09 0.00 0.00 44 R 8.52 5.08 0.00 1.69 2.15 0.00 2.21 0.00 0.00 2.29 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.49 0.00 45 S 7.60 4.24 0.00 3.80 4.03 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 0.00 0.00 0.00 46 K 7.26 3.79 0.00 1.27 1.31 0.00 2.48 0.00 0.00 2.15 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.79 7.81 47 V 8.63 3.64 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 1.03 0.00 0.00 0.96 0.00 0.00 48 E 7.73 3.95 0.00 2.08 1.95 0.00 0.00 0.00 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 2.34 0.00 49 L 8.21 4.38 0.00 2.56 2.37 0.72 1.30 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 50 T 7.88 3.74 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 1.24 0.00 0.00 51 R 8.38 3.98 0.00 1.98 2.10 0.00 3.10 0.00 0.00 3.21 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.92 0.00 52 Y 7.68 4.34 0.00 3.03 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 53 L 8.12 3.61 0.00 1.33 1.45 0.13 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.14 3.78 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 0.00 0.00 0.00 55 P 0.00 4.52 0.00 2.14 2.12 0.00 3.69 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 56 A 7.37 4.17 1.22 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 0.00 0.00 0.00 57 C 7.45 4.84 0.00 2.59 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 58 D 7.94 4.73 0.00 2.69 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.55 4.89 0.00 1.76 1.91 0.71 0.63 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 60 T 8.35 3.91 4.30 0.00 0.00 0.00 0.00 0.00 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 61 L 7.86 4.57 0.00 1.86 1.77 0.96 1.05 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 62 F 8.29 4.46 0.00 3.05 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 63 D 8.44 4.43 0.00 2.49 2.41 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 64 F 8.69 5.10 0.00 3.05 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 6.93 4.72 0.00 1.72 1.74 0.00 1.88 0.00 0.00 2.44 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.20 1.29 7.81 66 Q 8.16 4.11 0.00 1.90 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.33 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 67 G 8.27 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 0.00 0.00 0.00 68 I 6.98 4.92 1.91 0.00 0.00 0.85 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 0.79 0.98 0.00 0.00 69 L 8.27 5.34 0.00 1.93 2.02 1.03 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 70 C 8.62 5.11 0.00 2.99 2.86 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 0.00 0.00 0.00 0.00 71 Y 8.05 4.59 0.00 3.12 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 72 P 0.00 4.05 0.00 2.16 2.08 0.00 3.96 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 73 A 8.07 3.61 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 74 P 0.00 4.67 0.00 2.26 2.24 0.00 3.88 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 2.11 2.29 0.00 75 K 7.77 4.19 0.00 1.77 1.76 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.43 7.81