NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.2849 8.2649 123.5825 50.8837 19.9252 176.5806 7 P 4.1609 0.0000 0.0000 61.6578 32.0398 175.3418 8 D 4.7861 9.2547 124.6723 52.1297 43.7581 176.1273 9 F 4.0799 8.8433 119.5910 62.4422 38.9536 177.1231 10 H 4.4291 8.2815 115.0129 58.7976 28.4753 177.3246 11 D 4.2994 8.2424 119.8816 57.2947 40.7211 178.6809 12 K 3.7893 7.4804 117.3883 58.5417 32.3932 178.0984 13 Y 4.6551 7.6523 114.9772 57.3499 39.3055 177.8201 14 G 3.9431 7.9543 107.8478 48.4544 0.0000 175.4671 15 N 4.4046 8.1502 118.6277 55.3241 38.5018 177.4491 16 A 3.9608 7.8812 121.8252 55.1093 18.7391 179.2392 17 V 3.5526 7.8343 116.9062 66.3503 31.4333 177.9846 18 L 3.9386 8.0465 119.2691 58.1295 42.0379 178.5665 19 A 4.0224 8.2264 121.1010 55.3522 18.3955 179.6557 20 S 4.3698 8.9199 112.9660 60.8782 63.3719 176.5752 21 G 3.8711 8.4975 109.6504 47.8768 0.0000 175.4497 22 A 4.0529 8.2596 123.4328 55.1115 18.3545 179.7961 23 T 3.8795 7.9891 114.3343 66.7535 68.4483 176.7167 24 F 4.2208 8.4338 122.4805 61.3356 39.5986 176.5407 25 C 4.0085 8.4157 118.4964 62.6367 31.3789 175.7367 26 V 3.5883 7.8989 119.2349 65.9065 31.1536 177.5818 27 A 4.0408 8.2502 120.9692 55.4565 18.2171 180.1113 28 V 3.5775 7.8192 117.4975 64.4461 31.4593 178.5943 29 W 4.0179 8.2060 119.6370 59.3411 29.0047 178.5715 30 V 3.6669 8.1212 118.3720 66.1303 30.8333 177.4487 31 Y 3.9204 8.2429 119.1047 61.0020 38.5086 177.4428 32 M 3.8849 8.1752 117.6204 58.8789 32.3067 177.7164 33 A 4.7096 8.2610 119.9131 54.3459 18.8466 178.6096 34 T 4.5595 7.8352 105.2394 61.6183 70.3385 174.9152 35 Q 4.4270 7.9768 118.9507 55.5045 29.8245 175.6689 36 I 4.2611 7.7116 110.0093 60.3633 38.0094 176.2010 37 G 3.8960 8.3391 107.5874 45.5192 0.0000 174.1513 38 I 3.3741 7.3201 120.1524 61.1667 37.4175 175.0965 39 E 4.4072 8.1560 125.7272 54.2862 29.6662 175.5203 40 W 4.0639 8.7716 127.1650 57.3726 30.1426 176.0372 41 N 4.1693 9.1256 116.9199 53.9525 36.7838 170.9622 42 P 4.6104 0.0000 0.0000 61.7433 33.0735 176.4383 43 S 4.1925 8.4378 113.4457 57.9545 62.7460 172.5824 44 P 4.3491 0.0000 0.0000 64.7849 31.7337 176.4949 45 V 3.6808 7.6933 120.6643 64.4057 31.5193 176.5605 46 G 3.9711 9.1068 114.5874 45.8459 0.0000 173.7908 47 R 4.4891 7.6471 113.1856 55.4101 31.5610 175.5569 48 V 4.2169 8.1686 118.2482 61.2052 32.8839 174.9387 49 T 4.3790 8.2816 123.6694 61.4752 68.9520 173.0898 50 P 4.4096 0.0000 0.0000 62.5243 32.0179 175.7832 51 K 4.6398 8.2889 122.0131 53.9540 35.1019 175.5711 52 E 3.9377 8.9244 124.3359 57.0596 29.7665 176.8663 53 W 4.6297 7.9841 119.3754 57.0582 30.4409 175.5840 54 R 3.6073 6.3330 122.4901 56.1356 29.3345 175.7133 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 6 A 8.26 4.28 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 7 P 0.00 4.16 0.00 2.08 1.98 0.00 3.91 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 1.99 1.97 0.00 8 D 9.25 4.79 0.00 2.95 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.84 4.08 0.00 3.21 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 10 H 8.28 4.43 0.00 3.39 3.40 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.24 4.30 0.00 2.71 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 12 K 7.48 3.79 0.00 0.79 0.84 0.00 1.59 0.00 0.00 1.33 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.20 1.38 7.81 13 Y 7.65 4.66 0.00 1.95 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 14 G 7.95 3.94 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 0.00 0.00 0.00 15 N 8.15 4.40 0.00 2.73 2.88 0.00 0.00 6.89 7.31 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 16 A 7.88 3.96 1.40 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 0.00 0.00 17 V 7.83 3.55 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.14 0.00 0.00 18 L 8.05 3.94 0.00 1.92 1.86 0.95 1.02 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 19 A 8.23 4.02 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 20 S 8.92 4.37 0.00 4.05 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 0.00 21 G 8.50 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 0.00 0.00 0.00 22 A 8.26 4.05 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 23 T 7.99 3.88 4.33 0.00 0.00 0.00 0.00 0.00 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 24 F 8.43 4.22 0.00 3.19 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 25 C 8.42 4.01 0.00 3.26 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 26 V 7.90 3.59 2.16 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 0.98 0.00 0.00 0.96 0.00 0.00 27 A 8.25 4.04 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 28 V 7.82 3.58 1.57 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 0.44 0.00 0.00 0.72 0.00 0.00 29 W 8.21 4.02 0.00 3.49 3.30 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 30 V 8.12 3.67 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 1.05 0.00 0.00 1.01 0.00 0.00 31 Y 8.24 3.92 0.00 3.13 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 32 M 8.18 3.88 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 33 A 8.26 4.71 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 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.84 4.56 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 1.22 0.00 0.00 35 Q 7.98 4.43 0.00 0.94 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.21 0.00 0.00 0.00 0.00 0.00 2.06 2.25 0.00 36 I 7.71 4.26 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.56 0.66 0.00 0.00 37 G 8.34 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 0.00 0.00 0.00 38 I 7.32 3.37 1.59 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.39 -0.32 0.00 0.00 39 E 8.16 4.41 0.00 1.82 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 2.18 2.33 0.00 40 W 8.77 4.06 0.00 3.37 3.30 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 41 N 9.13 4.17 0.00 2.78 2.86 0.00 0.00 7.21 7.52 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 42 P 0.00 4.61 0.00 2.24 2.10 0.00 3.92 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 2.03 2.00 0.00 43 S 8.44 4.19 0.00 3.86 3.82 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 0.00 0.00 0.00 44 P 0.00 4.35 0.00 2.26 2.30 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 45 V 7.69 3.68 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 0.93 0.00 0.00 0.93 0.00 0.00 46 G 9.11 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 47 R 7.65 4.49 0.00 2.00 1.99 0.00 3.06 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.54 0.00 48 V 8.17 4.22 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 0.94 0.00 0.00 49 T 8.28 4.38 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 1.23 0.00 0.00 50 P 0.00 4.41 0.00 2.08 2.04 0.00 3.64 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 2.05 2.10 0.00 51 K 8.29 4.64 0.00 1.69 1.68 0.00 1.83 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.45 7.81 52 E 8.92 3.94 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 2.23 0.00 53 W 7.98 4.63 0.00 3.52 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 54 R 6.33 3.61 0.00 0.67 1.15 0.00 3.09 0.00 0.00 3.01 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.27 0.00