NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4180 8.4045 118.7933 54.8465 30.8998 175.4537 2 K 4.0574 8.5974 121.8417 53.9740 36.4494 168.8104 3 E 4.1417 9.2670 122.2096 56.1095 28.2883 171.6699 4 G 4.2415 8.7791 106.3286 47.5640 0.0000 173.3185 5 I 4.2465 7.3688 118.5832 60.7923 36.9688 181.4391 *6 H 4.9896 7.7585 120.6585 54.1924 28.4089 180.0816 7 P 4.8756 0.0000 0.0000 64.0133 35.5450 176.5728 8 K 4.3238 8.4071 122.3033 56.5727 35.4547 172.8913 9 L 4.5396 7.2875 112.8891 52.9593 44.5746 175.4577 10 V 3.6627 8.1278 119.8353 61.4112 30.7134 173.7404 11 P 5.0636 0.0000 0.0000 62.1564 33.6063 177.8052 12 A 4.5382 8.1854 125.2738 51.1064 18.5242 177.6056 13 R 4.3181 7.5446 132.4047 56.6471 36.7011 179.9539 14 I 4.1662 9.2044 116.2338 61.1782 34.7160 180.6635 15 I 4.2092 7.3299 123.8299 59.2166 33.7116 178.6553 16 C 4.3260 7.8135 122.2259 55.4068 40.9400 175.2126 17 G 3.9681 7.8483 114.1020 45.0581 0.0000 174.5841 18 C 5.0531 8.5611 118.3930 53.4157 38.0569 174.4119 19 G 3.4515 8.2021 114.2053 46.6119 0.0000 175.0835 20 N 4.7253 8.2697 116.5565 53.4857 36.9147 180.0779 21 V 4.6360 7.4916 115.1931 62.3931 33.8125 181.1106 22 I 4.0473 8.5889 122.9296 64.1950 35.3614 182.3527 23 E 4.6502 7.6165 117.6295 55.7349 30.9906 173.8808 24 T 4.0157 8.4520 121.7172 60.9978 69.6646 175.0775 *25 Y 4.5277 8.1651 126.4542 56.9151 36.2888 174.0766 26 S 4.8042 9.0031 116.2880 60.3068 63.7719 176.2350 27 T 4.1581 8.4404 118.2091 63.2211 66.9509 181.0055 28 K 4.1957 9.2460 118.8898 56.1898 33.4611 177.0709 29 P 4.0683 0.0000 0.0000 63.9750 27.5550 175.9171 30 E 4.2914 8.1036 115.4969 57.9771 30.0199 179.6495 31 I 3.3938 7.7445 117.2710 61.3734 33.2543 176.2986 *32 Y 4.3311 7.3805 123.3983 57.5332 37.5756 176.7448 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 4.42 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 2 K 8.60 4.06 0.00 1.69 1.64 0.00 1.84 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.25 1.07 7.81 3 E 9.27 4.14 0.00 2.16 1.12 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 2.10 1.86 0.00 4 G 8.78 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 0.00 0.00 0.00 0.00 5 I 7.37 4.25 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 1.16 0.77 0.91 0.00 0.00 *6 H 7.76 4.99 0.00 2.92 2.25 0.00 7.22 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 7 P 0.00 4.88 0.00 2.02 0.91 0.00 3.76 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 1.70 1.42 0.00 8 K 8.41 4.32 0.00 1.70 1.59 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.13 0.86 7.81 9 L 7.29 4.54 0.00 1.51 1.45 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.13 3.66 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 0.82 0.00 0.00 0.93 0.00 0.00 11 P 0.00 5.06 0.00 2.01 1.85 0.00 3.71 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 1.83 1.57 0.00 12 A 8.19 4.54 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 13 R 7.54 4.32 0.00 1.78 1.17 0.00 3.27 0.00 0.00 3.26 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.09 0.00 14 I 9.20 4.17 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 1.27 1.10 0.91 0.00 0.00 15 I 7.33 4.21 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 1.27 1.14 0.91 0.00 0.00 16 C 7.81 4.33 0.00 2.72 2.87 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 17 G 7.85 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 18 C 8.56 5.05 0.00 2.68 2.87 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 19 G 8.20 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.27 4.73 0.00 2.66 2.80 0.00 0.00 6.63 7.67 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 21 V 7.49 4.64 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 0.90 0.00 0.00 0.93 0.00 0.00 22 I 8.59 4.05 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 1.16 1.10 0.91 0.00 0.00 23 E 7.62 4.65 0.00 1.91 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 2.12 1.86 0.00 24 T 8.45 4.02 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 *25 Y 8.17 4.53 0.00 2.32 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 26 S 9.00 4.80 0.00 3.62 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 27 T 8.44 4.16 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 28 K 9.25 4.20 0.00 1.77 1.62 0.00 1.88 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.36 1.00 7.81 29 P 0.00 4.07 0.00 2.26 2.05 0.00 3.71 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 1.82 1.57 0.00 30 E 8.10 4.29 0.00 1.98 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 2.22 1.87 0.00 31 I 7.74 3.39 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 1.27 1.00 0.91 0.00 0.00 *32 Y 7.38 4.33 0.00 2.27 2.00 0.00 0.00 0.00 0.00 0.00 0.00 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.