NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4547 8.2644 123.5827 51.5198 21.2191 175.8683 3 K 4.4423 7.4202 122.7627 56.0960 33.8260 175.4420 4 H 4.5707 10.1178 116.5533 55.4885 28.3642 176.2350 5 P 4.4554 0.0000 0.0000 63.7308 32.0893 175.6107 6 V 4.4462 7.7870 119.0928 60.7674 34.4148 172.0012 7 P 4.3836 0.0000 0.0000 62.6815 31.7021 176.5468 8 K 4.1581 8.5875 122.6962 58.4227 32.6201 176.9258 9 K 4.6311 7.5771 116.2430 53.8558 36.0266 175.6288 10 K 3.8014 8.7250 123.3454 57.2921 32.4831 175.9088 11 T 4.4266 8.1973 115.3802 60.1740 70.3501 175.3178 12 S 4.2112 8.7301 119.4639 58.8978 64.6324 175.7095 13 K 4.4923 8.3467 124.9475 59.4973 32.0259 178.0792 14 A 3.9464 8.1753 120.4442 55.8818 18.0405 179.6059 15 R 3.9663 9.4185 115.9589 59.6118 30.4381 177.9928 16 R 3.9394 9.0798 120.6680 58.4296 29.9573 177.7152 17 D 4.3837 8.9195 118.4349 57.8605 41.2256 179.5523 18 A 3.9501 8.3940 121.3534 54.9484 18.1625 179.5900 19 R 3.9287 7.9044 116.2976 58.6909 30.3786 177.8576 20 R 3.7850 7.6650 116.7321 55.5822 30.1307 177.8912 21 S 4.2336 7.4629 115.2094 61.3009 61.6420 175.1169 22 H 4.7246 7.7228 115.9030 56.4686 29.1617 176.5327 23 H 4.4780 8.8553 116.8633 58.3634 28.8186 175.4739 24 A 3.7590 6.9618 118.4494 50.4283 18.7485 176.6158 25 L 4.3437 8.3625 123.2740 53.9218 42.8687 176.1544 26 T 4.4038 8.2562 118.1211 59.3747 68.0352 172.4812 27 P 4.3834 0.0000 0.0000 61.6330 31.9689 174.3009 28 P 4.2176 0.0000 0.0000 63.7682 31.4622 175.1855 29 T 4.5486 8.3721 110.6690 60.6333 70.4583 173.5226 30 L 5.3250 8.4491 124.8787 53.1011 46.2219 175.7684 31 V 4.3670 9.0492 119.2996 60.4646 34.8744 174.1918 32 P 3.8791 0.0000 0.0000 64.7381 31.6620 172.0341 33 C 3.7559 7.8658 133.8302 58.4188 29.4419 172.1546 34 P 4.0148 0.0000 0.0000 66.2412 31.3716 177.6729 35 E 4.0718 8.0606 118.9455 58.6506 29.7995 178.3017 36 C 4.5489 7.3519 112.9763 56.3025 41.1836 175.5102 37 K 4.1597 8.5088 124.3848 56.9908 31.0916 175.0148 38 A 4.8851 7.4049 121.2122 51.3709 22.5074 176.6354 39 M 4.9421 8.4872 115.9428 53.8796 34.8666 175.8536 40 K 4.8122 9.0210 122.8340 53.3525 37.2283 174.0467 41 P 4.8995 0.0000 0.0000 61.9606 31.9372 173.9046 42 P 4.1812 0.0000 0.0000 64.9241 31.6872 175.8437 43 H 4.3535 9.5634 118.3351 56.2581 25.5797 174.7708 44 T 4.7741 7.4369 107.7131 59.5440 71.5885 173.6354 45 V 4.1337 8.4003 123.4220 62.9428 32.3883 174.9147 46 C 4.7543 8.1685 125.7948 58.2728 34.3298 173.7989 47 P 4.3423 0.0000 0.0000 63.6946 30.6262 174.6423 48 E 4.6184 10.0870 126.3637 57.3286 37.4300 178.6916 49 C 3.5187 9.7036 123.6102 59.1277 42.3886 176.6572 50 G 3.7860 8.4814 106.6571 46.2782 0.0000 175.2982 51 Y 4.8128 8.2368 119.4778 56.0724 41.6314 173.4945 52 Y 3.8669 8.8862 119.1657 57.1568 39.5754 176.7107 53 A 3.7804 8.6688 125.5008 52.6939 16.2847 176.0265 54 G 3.7984 7.4373 109.7978 45.1681 0.0000 172.3227 55 R 4.5579 8.6092 120.0613 53.9452 33.2871 176.9622 56 K 4.7670 6.8744 119.2932 57.6296 31.6870 174.9069 57 V 4.2319 7.5764 106.9197 60.4194 34.3842 174.1397 58 L 4.7587 7.3194 123.7786 52.8691 44.7329 176.0365 59 E 5.0895 7.8875 120.5757 56.2041 31.3129 176.7540 60 V 3.9843 8.3490 121.8918 63.0781 31.9199 174.5818 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 2 A 8.26 4.45 1.30 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 0.00 0.00 0.00 3 K 7.42 4.44 0.00 1.72 1.21 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.54 7.81 4 H 10.12 4.57 0.00 3.18 2.69 0.00 5.78 0.00 0.00 0.00 0.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.46 0.00 2.04 1.98 0.00 3.73 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 6 V 7.79 4.45 2.09 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 0.76 0.00 0.00 1.05 0.00 0.00 7 P 0.00 4.38 0.00 2.22 2.05 0.00 3.82 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 8 K 8.59 4.16 0.00 1.72 1.88 0.00 1.62 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.52 7.81 9 K 7.58 4.63 0.00 1.72 1.63 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.36 7.81 10 K 8.72 3.80 0.00 1.71 1.74 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.47 7.81 11 T 8.20 4.43 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 12 S 8.73 4.21 0.00 4.06 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 13 K 8.35 4.49 0.00 1.83 1.88 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.56 7.81 14 A 8.18 3.95 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 15 R 9.42 3.97 0.00 1.82 1.97 0.00 3.27 0.00 0.00 3.15 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 16 R 9.08 3.94 0.00 1.83 2.14 0.00 3.20 0.00 0.00 3.17 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 17 D 8.92 4.38 0.00 2.85 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.39 3.95 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 19 R 7.90 3.93 0.00 1.95 2.16 0.00 3.29 0.00 0.00 3.27 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 20 R 7.66 3.78 0.00 1.95 1.80 0.00 3.21 0.00 0.00 3.29 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.85 0.00 21 S 7.46 4.23 0.00 3.87 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 22 H 7.72 4.72 0.00 3.23 3.36 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.86 4.48 0.00 3.08 3.35 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 6.96 3.76 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 25 L 8.36 4.34 0.00 1.66 1.61 0.93 0.86 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 26 T 8.26 4.40 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 1.22 0.00 0.00 27 P 0.00 4.38 0.00 2.22 2.04 0.00 3.86 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 28 P 0.00 4.22 0.00 2.20 2.14 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 29 T 8.37 4.55 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 1.22 0.00 0.00 30 L 8.45 5.33 0.00 1.49 1.56 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 31 V 9.05 4.37 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 0.81 0.00 0.00 0.94 0.00 0.00 32 P 0.00 3.88 0.00 2.09 2.05 0.00 3.67 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 33 C 7.87 3.76 0.00 3.14 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.01 0.00 2.19 2.05 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 35 E 8.06 4.07 0.00 2.02 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 0.00 2.36 2.35 0.00 36 C 7.35 4.55 0.00 3.04 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 37 K 8.51 4.16 0.00 1.86 1.89 0.00 1.54 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.44 7.81 38 A 7.40 4.89 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 39 M 8.49 4.94 0.00 1.86 1.96 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 40 K 9.02 4.81 0.00 1.67 1.66 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.38 7.81 41 P 0.00 4.90 0.00 2.14 2.25 0.00 3.91 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.88 0.00 42 P 0.00 4.18 0.00 2.21 2.15 0.00 3.72 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 2.07 2.16 0.00 43 H 9.56 4.35 0.00 3.31 3.68 0.00 5.64 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.44 4.77 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 1.26 0.00 0.00 45 V 8.40 4.13 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 0.84 0.00 0.00 0.72 0.00 0.00 46 C 8.17 4.75 0.00 2.97 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.34 0.00 2.14 2.18 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 2.01 2.15 0.00 48 E 10.09 4.62 0.00 1.94 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 2.23 2.31 0.00 49 C 9.70 3.52 0.00 3.05 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 50 G 8.48 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 8.24 4.81 0.00 2.16 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 52 Y 8.89 3.87 0.00 3.17 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 53 A 8.67 3.78 1.47 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 0.00 0.00 0.00 54 G 7.44 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 0.00 0.00 0.00 55 R 8.61 4.56 0.00 1.78 1.72 0.00 3.34 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 56 K 6.87 4.77 0.00 1.99 1.27 0.00 1.43 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.18 1.21 7.81 57 V 7.58 4.23 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 0.72 0.00 0.00 0.93 0.00 0.00 58 L 7.32 4.76 0.00 1.57 1.52 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 59 E 7.89 5.09 0.00 2.11 1.91 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 2.03 2.09 0.00 60 V 8.35 3.98 2.09 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 0.82 0.00 0.00 0.93 0.00 0.00