NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 3.9117 8.3544 109.7366 45.2045 0.0000 173.0714 5 I 4.3828 7.2831 118.3222 58.0717 40.8874 172.7632 6 R 4.4152 8.7684 121.8084 55.5034 33.5098 173.3747 7 K 4.6127 8.7117 124.4012 54.4784 33.9337 175.6269 8 L 4.8763 8.1656 122.8910 53.6678 43.6484 175.9179 9 V 4.1681 8.1623 119.2875 60.4402 32.8747 175.5536 10 V 4.4776 8.1605 121.7930 60.9144 34.1756 174.4505 11 L 4.8771 8.3493 124.7481 52.9229 44.6071 175.6342 12 N 5.0967 8.3528 118.4993 50.5112 41.6583 172.5783 13 P 4.7446 0.0000 0.0000 62.7351 32.3236 175.8646 14 R 4.6096 9.3578 122.5388 54.2818 30.8891 176.0902 15 A 4.9749 8.3910 125.6786 51.6460 19.5970 176.5733 *24 T 4.1162 8.2541 114.7526 63.4858 69.7620 173.1933 25 F 5.4586 8.9063 124.1793 56.0482 41.7156 174.4221 26 Y 4.8375 9.0384 118.8733 56.2041 42.2728 174.2386 27 L 5.0540 8.3575 120.3291 52.8338 44.3628 176.4255 28 L 4.0938 8.5472 124.7158 54.7025 42.8555 176.5277 29 I 4.1918 7.8366 125.4992 58.7563 37.3874 173.8540 30 P 4.1235 0.0000 0.0000 62.1737 32.7283 176.3780 31 K 3.8601 8.8191 122.8758 60.8031 32.1489 178.5899 32 D 4.4013 8.1542 120.1050 56.7222 40.7539 179.0599 33 I 3.6974 7.6881 119.3398 64.2827 37.3412 177.8055 34 A 4.0044 8.2393 122.0681 55.3598 18.0406 179.3905 35 E 3.7966 8.6471 117.5883 59.3329 29.5788 178.4763 36 A 4.0337 7.9464 119.7616 55.3035 18.5051 178.8272 37 L 4.3103 8.2541 113.8426 53.5132 42.7132 176.3369 38 D 4.3532 8.2509 118.0695 55.0407 40.0570 174.2260 39 I 4.1178 8.2567 119.0712 61.5564 38.1939 176.5219 40 K 4.7378 10.1353 125.0300 53.6052 35.0337 175.6092 41 P 4.3770 0.0000 0.0000 64.7662 31.1500 176.4227 42 D 4.8953 7.8135 116.9832 53.0061 39.8740 176.0897 43 D 4.4952 8.1562 120.0808 55.0705 41.5424 175.5427 44 T 4.7443 8.1670 117.7733 61.9209 71.0930 173.2283 45 F 6.1239 9.3615 124.4055 54.8597 42.5702 174.5272 46 I 4.5628 8.4704 114.5518 59.1259 40.7811 174.1961 47 L 4.2377 8.3941 126.2174 53.8295 42.9244 174.8816 48 N 4.9686 9.0084 124.9907 51.8611 40.9584 174.1826 49 M 5.1848 8.4565 121.6073 53.9508 34.8847 174.8625 50 E 4.7947 8.9163 119.9360 55.2422 34.9369 173.8976 51 Q 5.1084 8.3864 119.6116 54.3633 31.2489 175.3215 52 K 4.4203 10.0325 123.3375 56.7071 35.5506 174.8821 53 D 4.4400 9.8026 122.5855 55.4631 38.5091 174.7124 54 G 3.8922 8.9148 103.1476 45.9095 0.0000 173.0126 55 D 4.7224 8.8827 119.5752 51.9264 44.6752 174.3456 56 I 4.3505 7.9848 115.3832 61.0161 38.8870 175.5278 57 V 4.4007 8.6813 122.3374 61.4325 35.0903 173.7971 58 L 4.6636 8.7488 127.8725 53.3908 43.0406 175.8264 59 S 4.6422 9.0712 122.1156 57.4278 64.4788 173.4798 60 Y 4.9890 8.8781 123.9279 56.3691 38.3855 174.8791 61 K 4.4373 8.8082 126.8333 55.5172 34.0263 175.6314 62 R 3.7365 8.5282 128.0660 55.4333 30.0924 175.8826 63 V 4.1609 8.3756 120.5751 60.4285 33.4550 176.2814 64 K 4.3143 8.4840 119.6188 58.6699 33.1718 180.3790 65 E 4.3625 7.8359 117.0550 55.6423 28.8524 176.5916 66 L 4.7048 7.4734 116.2776 53.6163 45.9589 175.2762 67 K 4.5750 8.1301 118.0550 56.4349 35.6391 176.3799 68 I 3.5205 8.4727 119.7881 61.7056 36.3976 173.3966 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 G 8.35 3.91 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 0.00 0.00 0.00 5 I 7.28 4.38 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 1.30 1.12 0.91 0.00 0.00 6 R 8.77 4.42 0.00 1.75 1.72 0.00 3.26 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00 7 K 8.71 4.61 0.00 1.76 1.70 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.33 7.81 8 L 8.17 4.88 0.00 1.67 1.58 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.16 4.17 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 10 V 8.16 4.48 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 0.87 0.00 0.00 0.93 0.00 0.00 11 L 8.35 4.88 0.00 1.62 1.52 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.35 5.10 0.00 2.67 2.72 0.00 0.00 7.02 8.02 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 13 P 0.00 4.74 0.00 2.08 2.12 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 1.98 2.10 0.00 14 R 9.36 4.61 0.00 1.84 2.12 0.00 2.77 0.00 0.00 3.11 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 15 A 8.39 4.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *24 T 8.25 4.12 4.49 0.00 0.00 0.00 0.00 0.00 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 25 F 8.91 5.46 0.00 2.85 3.01 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 26 Y 9.04 4.84 0.00 2.88 2.82 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 27 L 8.36 5.05 0.00 1.32 1.46 0.95 0.98 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 28 L 8.55 4.09 0.00 1.57 1.54 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.84 4.19 1.81 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 1.22 0.59 0.87 0.00 0.00 30 P 0.00 4.12 0.00 2.14 2.00 0.00 3.60 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 31 K 8.82 3.86 0.00 1.97 2.11 0.00 1.51 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.57 7.81 32 D 8.15 4.40 0.00 2.74 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 33 I 7.69 3.70 1.98 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 1.58 0.57 0.92 0.00 0.00 34 A 8.24 4.00 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 35 E 8.65 3.80 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 2.31 2.33 0.00 36 A 7.95 4.03 1.41 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 37 L 8.25 4.31 0.00 1.63 1.76 0.98 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.25 4.35 0.00 2.72 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 39 I 8.26 4.12 1.92 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.97 1.01 0.00 0.00 40 K 10.14 4.74 0.00 1.80 1.80 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.36 1.52 7.81 41 P 0.00 4.38 0.00 2.20 2.21 0.00 3.75 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 2.01 1.98 0.00 42 D 7.81 4.90 0.00 2.79 2.79 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 43 D 8.16 4.50 0.00 2.93 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 44 T 8.17 4.74 4.19 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 0.00 0.00 0.00 1.23 0.00 0.00 45 F 9.36 6.12 0.00 2.95 3.07 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 0.00 0.00 0.00 0.00 46 I 8.47 4.56 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 1.26 0.76 0.93 0.00 0.00 47 L 8.39 4.24 0.00 1.30 1.45 0.02 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 48 N 9.01 4.97 0.00 2.58 2.65 0.00 0.00 6.51 7.55 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 49 M 8.46 5.18 0.00 1.83 1.90 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 50 E 8.92 4.79 0.00 1.87 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 2.21 2.26 0.00 51 Q 8.39 5.11 0.00 1.89 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.66 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 52 K 10.03 4.42 0.00 1.63 1.58 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.40 7.81 53 D 9.80 4.44 0.00 2.80 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 8.91 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.88 4.72 0.00 2.55 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 56 I 7.98 4.35 1.85 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 1.21 0.70 0.89 0.00 0.00 57 V 8.68 4.40 2.17 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 0.99 0.00 0.00 0.93 0.00 0.00 58 L 8.75 4.66 0.00 1.74 1.61 1.01 0.85 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 59 S 9.07 4.64 0.00 3.81 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 60 Y 8.88 4.99 0.00 2.66 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 61 K 8.81 4.44 0.00 1.94 1.72 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.40 7.81 62 R 8.53 3.74 0.00 0.67 1.52 0.00 3.11 0.00 0.00 3.07 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.96 0.00 63 V 8.38 4.16 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 0.69 0.00 0.00 0.89 0.00 0.00 64 K 8.48 4.31 0.00 1.70 1.81 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.38 7.81 65 E 7.84 4.36 0.00 1.94 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 2.30 2.31 0.00 66 L 7.47 4.70 0.00 1.57 1.51 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.13 4.57 0.00 1.80 1.71 0.00 1.55 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.45 7.81 68 I 8.47 3.52 1.89 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 1.29 0.40 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.