NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5163 8.4045 120.6154 55.0897 33.7445 175.6146 2 Q 4.0938 8.1759 125.1269 55.0557 29.4107 173.4638 3 S 5.1866 8.4492 117.5530 55.9141 65.8207 172.6068 4 I 4.8821 9.1006 120.1218 59.0000 41.4831 174.8119 5 N 5.2127 8.5049 120.1981 51.0971 39.0896 175.9278 6 F 4.0949 8.6131 119.9834 61.7592 39.1958 177.1324 7 R 3.8199 8.2502 116.9915 59.8333 29.6985 179.0702 8 T 3.8655 8.5296 115.3393 66.2742 68.2088 176.7893 9 A 3.8905 7.6134 121.9082 55.2552 18.5135 179.4764 10 R 3.8665 7.6052 116.0055 58.6139 30.1827 177.9515 11 G 3.9749 7.4948 102.9862 44.7673 0.0000 173.4752 12 N 5.0867 7.7833 118.7405 52.0797 40.5242 176.6171 13 L 3.9306 8.1810 122.1482 58.2575 42.1150 178.0750 14 S 4.0873 8.0227 114.8615 61.7199 62.9128 176.4844 15 E 3.9501 8.1196 119.5584 59.2687 29.2361 179.1995 16 V 3.5687 7.8378 119.4129 65.9190 31.5707 178.0913 17 L 4.0164 8.4347 119.1583 57.4936 41.5036 179.2281 18 N 4.2878 8.3440 116.7146 56.3871 38.6523 176.8143 19 N 4.2720 8.0828 117.7706 56.5825 38.6723 177.5452 20 V 4.3873 7.8355 120.5817 65.6578 31.4114 177.6416 21 E 3.9485 8.2307 117.6526 58.8266 29.4084 177.5800 22 A 4.4661 7.3926 118.4860 52.0622 18.7627 177.9944 23 G 3.9557 8.0658 107.5937 45.5638 0.0000 174.1136 24 E 4.1987 8.1282 121.8096 56.0588 31.1018 175.0584 25 E 4.8891 8.7660 125.7537 54.8594 31.9060 174.8057 26 V 4.6562 8.3310 124.1850 60.9841 34.5446 173.7441 27 E 4.8037 9.5357 129.9072 55.4644 31.2602 174.6691 28 I 5.0438 9.0426 128.3548 59.9301 39.2229 174.8721 29 T 4.9259 9.0743 117.8936 60.2856 71.8763 173.8406 30 R 4.8445 8.1870 120.6083 54.1200 34.9421 174.8011 31 R 4.0987 8.6758 119.8483 57.3660 29.7672 176.6728 32 G 3.8949 9.0198 110.3851 45.8627 0.0000 172.5531 33 R 4.7166 7.5824 116.3824 53.7238 34.1083 174.8627 34 E 4.2616 8.4337 118.6619 55.5745 30.2570 175.4133 35 P 4.7484 0.0000 0.0000 62.5834 32.4804 175.4229 36 A 4.8699 8.9217 123.8336 50.1861 22.5275 175.3911 37 V 4.7565 8.1938 118.2093 61.0125 34.7446 174.4520 38 I 4.5574 8.7653 128.2947 59.1901 39.9472 174.5663 39 V 4.9100 8.1038 127.7187 59.5800 34.9195 175.0192 40 S 4.1653 8.6638 116.3741 58.4030 63.5512 175.2598 41 K 3.9575 8.8630 124.0817 59.5472 31.9488 178.7903 42 A 3.9458 7.9346 120.4712 55.5163 18.3128 179.4646 43 T 3.4898 7.8990 114.1769 66.6839 68.5065 176.6145 44 F 4.2150 8.1816 122.3676 61.3357 39.3205 176.8939 45 E 3.7754 8.6391 118.4262 59.3987 29.1951 179.3004 46 A 3.9605 7.9642 120.6849 55.1898 18.4370 179.3170 47 Y 4.3463 8.0143 115.7044 61.1984 37.9060 179.0097 48 K 3.8926 7.8732 119.8079 59.6101 32.6298 178.8504 49 K 3.7852 8.2478 121.0791 59.4829 31.9634 178.6178 50 A 3.9690 8.3113 120.4038 54.6455 17.7695 179.6095 51 A 3.9238 7.8351 119.6541 55.3053 18.4659 179.3122 52 L 3.9890 8.7345 120.7130 59.1797 41.5545 180.2740 53 D 4.0533 8.2513 119.7362 58.3125 39.7521 180.2280 54 A 4.3924 7.6673 123.2536 55.9074 18.4302 179.8764 55 E 4.1082 7.7574 117.1787 61.4567 30.2760 179.0314 *56 F 4.2516 8.8945 122.8311 56.5111 38.9887 176.4572 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 8.40 4.52 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.56 0.00 2 Q 8.18 4.09 0.00 1.78 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.63 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 3 S 8.45 5.19 0.00 3.94 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 9.10 4.88 1.86 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 1.41 0.97 0.90 0.00 0.00 5 N 8.50 5.21 0.00 3.03 3.03 0.00 0.00 6.36 8.12 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 6 F 8.61 4.09 0.00 3.14 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 7 R 8.25 3.82 0.00 1.89 2.00 0.00 3.21 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.84 0.00 8 T 8.53 3.87 4.38 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 1.24 0.00 0.00 9 A 7.61 3.89 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 10 R 7.61 3.87 0.00 1.34 1.61 0.00 3.37 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.51 0.00 11 G 7.49 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 12 N 7.78 5.09 0.00 2.82 2.71 0.00 0.00 6.53 7.16 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 13 L 8.18 3.93 0.00 1.81 1.62 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.02 4.09 0.00 3.88 3.88 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 15 E 8.12 3.95 0.00 2.17 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 2.32 2.50 0.00 16 V 7.84 3.57 2.14 0.00 0.00 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 0.00 0.00 0.92 0.00 0.00 17 L 8.43 4.02 0.00 1.80 1.68 0.90 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.34 4.29 0.00 2.88 2.85 0.00 0.00 6.92 6.52 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 19 N 8.08 4.27 0.00 2.92 3.03 0.00 0.00 6.74 7.12 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 20 V 7.84 4.39 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 0.81 0.00 0.00 1.01 0.00 0.00 21 E 8.23 3.95 0.00 1.99 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 0.00 2.32 2.32 0.00 22 A 7.39 4.47 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 0.00 0.00 0.00 0.00 0.00 23 G 8.07 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.13 4.20 0.00 2.16 1.83 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 2.31 2.30 0.00 25 E 8.77 4.89 0.00 1.99 1.89 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 2.39 2.34 0.00 26 V 8.33 4.66 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 1.02 0.00 0.00 0.93 0.00 0.00 27 E 9.54 4.80 0.00 2.05 1.93 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 2.28 2.29 0.00 28 I 9.04 5.04 1.91 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 1.29 0.61 1.00 0.00 0.00 29 T 9.07 4.93 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 30 R 8.19 4.84 0.00 1.70 1.71 0.00 2.79 0.00 0.00 3.12 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 31 R 8.68 4.10 0.00 2.16 1.96 0.00 3.24 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.20 0.00 32 G 9.02 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 33 R 7.58 4.72 0.00 1.75 1.76 0.00 3.29 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 34 E 8.43 4.26 0.00 1.95 1.87 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 2.30 2.27 0.00 35 P 0.00 4.75 0.00 1.94 2.07 0.00 3.63 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 2.03 2.09 0.00 36 A 8.92 4.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.19 4.76 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 0.81 0.00 0.00 0.93 0.00 0.00 38 I 8.77 4.56 1.84 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 1.25 1.26 0.96 0.00 0.00 39 V 8.10 4.91 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 0.69 0.00 0.00 0.94 0.00 0.00 40 S 8.66 4.17 0.00 4.00 4.02 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 41 K 8.86 3.96 0.00 1.86 1.86 0.00 1.75 0.00 0.00 1.84 0.00 0.00 3.10 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.58 7.81 42 A 7.93 3.95 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 43 T 7.90 3.49 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 0.45 0.00 0.00 44 F 8.18 4.21 0.00 3.01 3.18 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 0.00 45 E 8.64 3.78 0.00 2.10 1.94 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 2.57 2.48 0.00 46 A 7.96 3.96 1.33 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 0.00 0.00 0.00 47 Y 8.01 4.35 0.00 3.05 2.89 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 48 K 7.87 3.89 0.00 1.82 1.66 0.00 1.37 0.00 0.00 1.43 0.00 0.00 2.61 0.00 0.00 2.33 0.00 0.00 0.00 0.00 1.23 1.39 7.81 49 K 8.25 3.79 0.00 2.01 2.03 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.35 7.81 50 A 8.31 3.97 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.84 3.92 1.36 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 0.00 0.00 0.00 52 L 8.73 3.99 0.00 1.81 1.73 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.25 4.05 0.00 2.76 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.67 4.39 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.76 4.11 0.00 2.09 1.86 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 2.24 2.18 0.00 *56 F 8.89 4.25 0.00 2.29 2.43 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 * Residues marked with a * may have inaccurate shift predictions.