NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 25 D 4.6723 8.3644 120.5365 54.1518 42.3068 174.2414 26 V 4.1523 8.3769 122.6223 60.2029 34.3204 172.5500 27 M 5.0694 8.8695 126.3026 53.6221 36.5807 173.6232 28 W 5.6414 9.6321 122.8548 54.9396 33.7620 174.1540 29 E 5.4933 9.4953 118.8513 54.0744 33.0440 173.8385 30 Y 5.6128 8.2184 117.0186 55.8901 41.7691 173.6131 31 K 5.1231 9.3196 119.8004 54.5929 35.6106 177.5537 32 W 4.3412 9.2449 121.8570 58.6368 29.5761 176.8754 33 E 4.8735 8.1342 116.2336 54.4716 32.2472 176.2598 34 N 4.0998 7.8896 122.5860 52.7096 37.2642 173.0258 35 T 4.6095 6.9340 109.4664 59.3554 72.5266 175.0753 36 G 3.6945 8.4912 109.3836 47.0912 0.0000 174.0599 37 D 4.6250 7.7757 117.6951 54.0873 41.9429 176.4412 38 A 4.2136 7.3465 122.6130 51.2252 19.0374 177.0902 39 E 3.8889 8.6392 123.6471 56.0849 30.3480 175.9032 40 L 4.4834 7.9900 125.6426 54.0393 42.9701 175.4013 41 Y 4.3902 8.3483 121.7881 56.0348 39.8258 176.0895 42 G 3.7884 8.7140 111.6616 45.1631 0.0000 170.5655 43 P 4.4749 0.0000 0.0000 63.5341 31.4700 175.9439 44 F 5.5752 9.1809 122.7309 55.5296 43.1512 175.2342 45 T 4.5220 8.8797 112.5904 61.3569 69.6473 175.6476 46 S 4.1716 9.0639 118.0638 61.7997 62.7864 176.8285 47 A 3.9231 7.9814 122.8941 55.2692 18.1930 179.5738 48 Q 3.1645 7.8244 116.4663 58.9613 28.5690 178.9051 49 M 3.8114 7.3893 119.5328 58.1571 31.7946 178.5497 50 Q 3.9023 7.8956 119.9906 59.3477 29.1734 178.3658 51 T 3.7337 7.5998 116.6523 66.6375 68.5176 176.6716 52 W 4.4462 7.5642 120.5876 59.4583 29.0219 178.7663 53 V 3.5846 7.9556 118.7522 66.1805 30.8614 178.2104 54 S 4.3157 7.9602 111.8273 60.6177 63.2637 175.2691 55 E 4.2551 8.4834 120.8360 56.6744 29.3914 177.2285 56 G 3.7945 7.6347 107.0239 46.0052 0.0000 174.4806 57 Y 4.0181 8.0270 118.2666 59.2578 38.6673 176.0656 58 F 5.4176 7.4973 118.1514 55.5941 39.1705 174.2709 59 P 4.2662 0.0000 0.0000 65.1412 31.8282 177.6669 60 D 4.7151 8.3352 115.9620 53.3645 41.4635 177.0628 61 G 4.0055 8.2998 104.5680 45.6197 0.0000 173.1658 62 V 4.0534 7.7155 111.8750 59.1710 35.8157 174.6675 63 Y 5.1366 8.6206 120.7650 57.2492 38.9949 174.7934 64 C 5.9853 9.3933 119.2768 56.8518 34.0660 173.0149 65 R 5.1705 8.9852 114.4260 54.7677 32.5530 174.9687 66 K 3.6155 8.2317 120.0437 56.5463 32.4864 177.3270 67 L 4.2063 7.8121 120.9024 55.4360 42.1623 176.6494 68 D 4.6685 7.4285 117.8743 51.3056 43.7277 173.2530 69 P 4.5631 0.0000 0.0000 61.1662 32.4419 175.1470 70 P 4.1325 0.0000 0.0000 65.4149 31.1444 178.5325 71 G 3.7528 7.2956 107.9066 47.1527 0.0000 175.1043 72 G 3.3530 7.2359 107.0236 45.7125 0.0000 173.0325 73 Q 3.4886 8.5814 135.0000 55.2039 27.5189 171.9831 74 F 4.8481 8.2670 123.6862 56.9452 40.4169 175.0658 75 Y 5.1428 8.8501 119.2292 55.8678 42.5314 174.3818 76 N 4.6502 8.9919 121.1810 53.5055 39.6907 176.1360 77 S 4.0131 9.1081 121.7270 60.9309 63.2999 176.2634 78 K 3.7424 8.3624 122.1800 58.9355 31.7856 177.1280 79 R 4.3937 7.8186 114.8529 55.7289 30.6670 175.6907 80 I 4.0768 7.2963 120.0862 59.3657 38.6949 175.4032 81 D 4.5367 8.2159 125.3108 52.6606 40.0469 176.4764 82 F 4.3555 8.2137 125.6186 59.7988 39.0439 177.2928 83 D 4.5693 8.1805 119.9808 56.4288 41.1675 177.7825 84 L 4.0231 7.9164 118.0223 56.8990 41.5487 177.1248 85 Y 4.7185 7.9381 114.4289 57.7429 38.8073 175.8298 86 T 4.2823 7.7691 115.6578 61.8129 69.1134 174.5529 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 25 D 8.36 4.67 0.00 2.70 2.71 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 0.00 0.00 0.00 0.00 26 V 8.38 4.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.97 0.00 0.00 27 M 8.87 5.07 0.00 2.09 1.80 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.58 0.00 28 W 9.63 5.64 0.00 3.41 3.28 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 0.00 29 E 9.50 5.49 0.00 2.16 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 0.00 2.28 2.30 0.00 30 Y 8.22 5.61 0.00 2.99 3.09 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 31 K 9.32 5.12 0.00 1.84 1.73 0.00 0.61 0.00 0.00 1.10 0.00 0.00 2.74 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.13 1.31 7.81 32 W 9.24 4.34 0.00 3.45 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 4.87 0.00 1.97 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 34 N 7.89 4.10 0.00 1.44 2.06 0.00 0.00 6.84 7.70 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 35 T 6.93 4.61 4.18 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 36 G 8.49 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 37 D 7.78 4.62 0.00 2.63 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 38 A 7.35 4.21 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.64 3.89 0.00 1.82 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 0.00 1.82 1.47 0.00 40 L 7.99 4.48 0.00 1.45 1.61 0.98 1.09 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 41 Y 8.35 4.39 0.00 2.12 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 42 G 8.71 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 43 P 0.00 4.47 0.00 2.03 2.04 0.00 3.52 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.94 0.00 44 F 9.18 5.58 0.00 3.28 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 45 T 8.88 4.52 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 1.28 0.00 0.00 46 S 9.06 4.17 0.00 4.13 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 0.00 47 A 7.98 3.92 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 48 Q 7.82 3.16 0.00 1.87 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 1.90 2.13 0.00 49 M 7.39 3.81 0.00 0.51 0.98 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.74 0.00 50 Q 7.90 3.90 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 51 T 7.60 3.73 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 52 W 7.56 4.45 0.00 3.01 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 7.96 3.58 2.36 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 1.14 0.00 0.00 1.30 0.00 0.00 54 S 7.96 4.32 0.00 4.07 3.98 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 55 E 8.48 4.26 0.00 2.26 2.12 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 2.38 2.45 0.00 56 G 7.63 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 57 Y 8.03 4.02 0.00 2.37 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.50 5.42 0.00 2.99 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 59 P 0.00 4.27 0.00 2.22 2.21 0.00 4.07 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 2.10 2.04 0.00 60 D 8.34 4.72 0.00 2.77 2.77 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 0.00 0.00 0.00 61 G 8.30 4.01 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 0.00 0.00 0.00 62 V 7.72 4.05 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 -0.63 0.00 0.00 63 Y 8.62 5.14 0.00 2.94 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.39 5.99 0.00 3.48 3.20 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 65 R 8.99 5.17 0.00 1.67 1.77 0.00 2.22 0.00 0.00 2.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.42 0.00 66 K 8.23 3.62 0.00 1.41 1.25 0.00 1.46 0.00 0.00 1.55 0.00 0.00 2.73 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.30 0.77 7.81 67 L 7.81 4.21 0.00 1.53 1.62 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 68 D 7.43 4.67 0.00 2.49 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 4.56 0.00 2.22 2.15 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.92 0.00 70 P 0.00 4.13 0.00 2.20 2.32 0.00 3.69 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 2.04 1.94 0.00 71 G 7.30 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.24 3.35 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 0.00 73 Q 8.58 3.49 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 1.99 1.42 0.00 74 F 8.27 4.85 0.00 2.95 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 75 Y 8.85 5.14 0.00 3.05 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 76 N 8.99 4.65 0.00 2.82 2.71 0.00 0.00 6.75 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 9.11 4.01 0.00 4.17 4.10 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 78 K 8.36 3.74 0.00 2.03 1.89 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.19 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.48 7.81 79 R 7.82 4.39 0.00 1.94 1.88 0.00 3.22 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 80 I 7.30 4.08 1.14 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.39 -0.16 0.00 0.00 81 D 8.22 4.54 0.00 2.62 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 F 8.21 4.36 0.00 3.15 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 83 D 8.18 4.57 0.00 2.72 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.92 4.02 0.00 1.49 1.14 0.78 0.47 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 85 Y 7.94 4.72 0.00 3.28 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 86 T 7.77 4.28 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 1.38 0.00 0.00