NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9652 8.3393 109.7441 44.4415 0.0000 172.7933 4 P 4.3595 0.0000 0.0000 62.3904 32.8182 173.6618 5 N 5.4251 9.1899 118.1434 51.8653 41.1734 175.1579 6 Y 5.2147 8.5441 117.8816 56.3768 42.5614 174.8535 7 V 5.0684 8.3103 120.4500 59.2100 35.1035 174.0567 *9 H 4.8075 8.5388 116.2131 56.2439 29.9033 173.9096 10 T 4.7728 8.4287 114.3058 60.8691 70.1254 174.8822 11 N 4.5770 9.0536 119.4844 55.3990 39.7198 176.2238 12 D 4.8814 7.5686 116.7819 53.5014 39.9069 176.2279 13 G 3.9577 7.7351 104.8121 48.1972 0.0000 174.2911 14 R 4.7517 7.9858 116.2875 54.0768 34.3504 176.3734 15 S 4.7947 8.6486 116.7492 57.1092 65.1826 173.2249 16 I 4.4957 8.0927 126.4223 59.4006 38.9524 175.5379 17 V 4.5843 8.4328 127.2160 60.9873 32.9863 175.4558 18 T 4.9075 9.2399 112.9959 60.2512 72.0646 172.7794 19 D 4.7662 9.2062 125.1249 53.5071 40.1120 176.2269 20 G 4.1799 8.7345 109.8414 43.8251 0.0000 170.7741 21 K 3.5228 8.2491 120.4210 55.1704 32.6332 175.0352 22 P 4.8396 0.0000 0.0000 62.9896 32.4450 175.3044 23 Q 4.6355 8.8638 117.8804 55.0073 32.2487 174.0141 24 T 4.2290 8.4511 118.0209 63.6960 69.3388 173.7301 25 D 4.4459 8.7285 126.0119 54.1064 41.8966 176.8490 26 N 4.4718 8.7603 123.7556 55.9101 39.0640 175.9989 27 D 4.5820 8.4163 117.3074 56.1752 41.5633 177.3156 28 T 4.2131 8.7341 107.4611 61.0552 70.6345 174.3972 29 G 3.5187 7.6959 109.1202 45.5547 0.0000 173.7401 *31 I 3.9442 7.1980 117.7016 61.2487 39.5190 176.3838 32 S 5.3126 9.1555 122.9840 57.1173 64.1576 172.4246 33 Y 5.1909 8.7018 123.6949 55.8701 42.0048 173.4129 34 K 4.9240 8.6594 119.5835 54.8444 34.8701 176.7161 35 D 4.8850 8.8639 124.5981 51.9870 41.2261 176.7722 36 A 4.0059 8.8154 121.3402 55.7977 18.0037 178.9117 37 N 4.3757 8.1324 110.3116 54.8057 38.6941 176.1823 38 G 3.9188 8.7238 106.8788 45.2177 0.0000 172.6895 39 N 4.7920 8.2821 117.5075 51.6027 40.2012 174.9794 40 K 4.4896 8.5237 122.8836 56.7375 33.0165 176.1949 41 Q 4.5293 9.0791 122.3974 54.2200 33.6368 173.9833 42 Q 5.1385 8.3960 118.0966 54.4399 32.4573 174.7399 43 I 4.7483 8.9079 123.1771 58.8593 41.6199 174.4194 44 N 4.4251 8.7891 127.0257 53.3872 39.5866 175.6743 45 R 3.8770 8.7746 125.5430 59.7283 30.3895 178.4489 46 T 3.8305 8.3105 114.0695 66.1778 68.6132 174.3564 47 D 4.4912 8.3318 119.5209 54.2924 41.5930 175.2887 48 V 4.3758 7.6899 119.2898 61.9462 32.3166 175.1448 49 K 4.1676 8.8772 129.6455 58.7345 32.5154 175.5481 50 E 4.6235 7.4602 113.0006 55.3276 32.1649 174.2214 *52 V 4.1190 8.3338 117.0187 61.5420 33.4224 174.7760 53 A 3.5529 8.2834 123.7185 51.8143 17.6379 178.4242 54 L 3.7777 8.8743 124.8651 58.0309 42.3223 178.9186 55 E 4.0078 7.9843 117.7755 58.2358 29.8723 176.8546 56 N 4.5939 7.9177 115.2468 54.7818 39.7028 174.7480 57 L 4.1122 7.1836 123.6989 55.4157 42.0522 176.3301 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 3 G 8.34 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 4 P 0.00 4.36 0.00 2.01 2.15 0.00 3.80 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.09 0.00 5 N 9.19 5.43 0.00 2.67 2.84 0.00 0.00 7.38 7.48 0.00 0.00 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 Y 8.54 5.21 0.00 2.82 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 7 V 8.31 5.07 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 1.09 0.00 0.00 0.78 0.00 0.00 *9 H 8.54 4.81 0.00 3.14 3.30 0.00 5.61 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 T 8.43 4.77 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 1.18 0.00 0.00 11 N 9.05 4.58 0.00 2.88 2.90 0.00 0.00 7.18 7.62 0.00 0.00 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 D 7.57 4.88 0.00 2.80 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 13 G 7.74 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 14 R 7.99 4.75 0.00 1.75 1.80 0.00 3.08 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 15 S 8.65 4.79 0.00 3.72 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 16 I 8.09 4.50 1.67 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.45 0.84 0.00 0.00 17 V 8.43 4.58 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 0.76 0.00 0.00 0.96 0.00 0.00 18 T 9.24 4.91 4.41 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 1.12 0.00 0.00 19 D 9.21 4.77 0.00 2.80 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 20 G 8.73 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 0.00 0.00 0.00 0.00 21 K 8.25 3.52 0.00 1.64 1.63 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.71 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.07 0.48 7.81 22 P 0.00 4.84 0.00 1.86 1.97 0.00 3.27 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.04 0.00 23 Q 8.86 4.64 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.99 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 24 T 8.45 4.23 4.23 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 1.21 0.00 0.00 25 D 8.73 4.45 0.00 2.76 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.76 4.47 0.00 2.75 2.86 0.00 0.00 7.07 8.06 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 27 D 8.42 4.58 0.00 2.82 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 28 T 8.73 4.21 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 1.25 0.00 0.00 29 G 7.70 3.52 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 0.00 0.00 0.00 *31 I 7.20 3.94 2.05 0.00 0.00 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 1.24 0.95 0.93 0.00 0.00 32 S 9.16 5.31 0.00 3.86 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 33 Y 8.70 5.19 0.00 3.02 2.93 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 0.00 0.00 0.00 34 K 8.66 4.92 0.00 1.92 1.74 0.00 1.84 0.00 0.00 1.87 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.42 7.81 35 D 8.86 4.89 0.00 2.92 2.85 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 36 A 8.82 4.01 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 37 N 8.13 4.38 0.00 2.98 2.95 0.00 0.00 7.06 7.65 0.00 0.00 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 G 8.72 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.28 4.79 0.00 3.08 2.68 0.00 0.00 7.03 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.52 4.49 0.00 1.56 1.64 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.42 7.81 41 Q 9.08 4.53 0.00 0.93 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.77 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 42 Q 8.40 5.14 0.00 1.87 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.72 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 43 I 8.91 4.75 2.05 0.00 0.00 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 1.13 0.92 0.91 0.00 0.00 44 N 8.79 4.43 0.00 2.77 2.69 0.00 0.00 6.78 7.65 0.00 0.00 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 R 8.77 3.88 0.00 1.88 1.92 0.00 3.23 0.00 0.00 3.32 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 46 T 8.31 3.83 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 1.21 0.00 0.00 47 D 8.33 4.49 0.00 2.74 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 48 V 7.69 4.38 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 0.75 0.00 0.00 0.88 0.00 0.00 49 K 8.88 4.17 0.00 1.76 1.98 0.00 1.84 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.37 7.81 50 E 7.46 4.62 0.00 1.99 1.92 0.00 0.00 0.00 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 2.42 0.00 *52 V 8.33 4.12 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 0.90 0.00 0.00 0.93 0.00 0.00 53 A 8.28 3.55 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 54 L 8.87 3.78 0.00 1.62 1.69 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 55 E 7.98 4.01 0.00 1.86 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 2.24 2.35 0.00 56 N 7.92 4.59 0.00 2.82 2.82 0.00 0.00 6.90 7.45 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 57 L 7.18 4.11 0.00 1.76 1.56 0.95 0.94 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 * Residues marked with a * may have inaccurate shift predictions.