NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4138 8.4045 118.7933 53.7740 33.8105 176.0075 2 K 4.2109 8.0729 118.6013 55.7751 36.0376 178.3445 3 E 4.0983 9.9951 124.2720 55.5851 28.3112 173.0901 4 G 4.2915 8.8757 105.5405 46.7789 0.0000 173.3252 5 I 4.5069 7.6506 116.1602 60.4398 39.2944 179.1795 *6 H 5.1887 7.7585 123.3039 54.3461 28.3147 180.2882 7 P 5.1749 0.0000 0.0000 63.9076 37.9700 174.7036 8 K 4.2981 8.7520 124.1234 54.7221 36.3128 176.6703 9 L 4.2712 8.9901 124.2956 53.6616 49.8100 177.2850 10 V 3.5111 9.4755 119.6107 61.9754 30.8524 174.5423 11 P 5.0770 0.0000 0.0000 62.2894 33.2559 177.7538 12 A 4.6441 8.5786 123.1364 53.9569 19.2400 180.1073 13 R 4.5420 8.9435 117.8912 59.4610 30.4481 179.8543 14 I 4.3812 8.9533 112.3428 61.4724 36.3346 180.9016 15 I 4.1344 7.7603 123.3044 61.3232 32.2525 179.4496 16 C 3.2572 6.9774 115.9650 56.4837 41.5488 175.9707 17 G 3.9100 7.8016 118.7435 44.9717 0.0000 175.9048 18 C 4.5273 8.1336 130.1791 54.7269 37.7191 172.5952 19 G 3.6398 8.2141 116.8570 46.6204 0.0000 175.1588 20 N 4.6466 8.4785 121.9149 53.4753 36.8300 176.6482 21 V 4.5030 7.6323 117.1525 61.5661 33.9414 181.2408 22 I 3.8266 8.5727 119.9492 63.4675 35.2312 182.3941 23 E 5.5040 7.9187 121.9458 57.1685 33.0480 182.4738 24 T 4.3949 8.2176 112.2489 64.4630 68.3420 177.8532 *25 Y 4.7075 8.0009 133.2139 56.2575 36.1178 175.1054 26 S 4.4455 8.9801 115.9932 60.6237 63.3185 175.6994 27 T 4.0710 8.3344 119.9042 63.3253 66.6053 181.1968 28 K 4.3208 9.2615 120.6869 55.2901 33.5203 176.8037 29 P 4.1805 0.0000 0.0000 64.7848 27.7778 176.8095 30 E 4.0936 8.4193 113.6612 58.2466 29.3892 179.7186 31 I 3.3273 8.2357 117.9915 62.9990 33.2720 178.2991 *32 Y 4.3235 7.8828 124.9932 57.6416 37.6020 177.9639 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 4.41 0.00 2.05 2.04 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 8.07 4.21 0.00 1.81 1.58 0.00 1.83 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.27 1.07 7.81 3 E 10.00 4.10 0.00 2.17 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.86 0.00 4 G 8.88 4.29 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 0.00 5 I 7.65 4.51 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 0.87 0.91 0.00 0.00 *6 H 7.76 5.19 0.00 2.92 2.19 0.00 7.21 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 5.17 0.00 2.04 1.54 0.00 3.72 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 1.85 1.57 0.00 8 K 8.75 4.30 0.00 1.72 1.38 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.26 1.00 7.81 9 L 8.99 4.27 0.00 1.50 1.38 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 10 V 9.48 3.51 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 5.08 0.00 1.92 1.95 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.55 0.00 12 A 8.58 4.64 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 13 R 8.94 4.54 0.00 1.66 1.58 0.00 3.26 0.00 0.00 3.20 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.41 0.00 14 I 8.95 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 1.27 1.10 0.91 0.00 0.00 15 I 7.76 4.13 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 16 C 6.98 3.26 0.00 2.74 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 17 G 7.80 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 18 C 8.13 4.53 0.00 2.75 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 19 G 8.21 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.48 4.65 0.00 2.66 2.80 0.00 0.00 6.65 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 7.63 4.50 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 22 I 8.57 3.83 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 7.92 5.50 0.00 2.03 1.85 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 2.01 1.89 0.00 24 T 8.22 4.39 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 8.00 4.71 0.00 2.23 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 8.98 4.45 0.00 3.62 3.76 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 0.00 0.00 0.00 27 T 8.33 4.07 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 9.26 4.32 0.00 1.77 1.63 0.00 1.93 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.35 1.00 7.81 29 P 0.00 4.18 0.00 2.15 2.11 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.56 0.00 30 E 8.42 4.09 0.00 1.98 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 2.23 1.88 0.00 31 I 8.24 3.33 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 0.97 0.91 0.00 0.00 *32 Y 7.88 4.32 0.00 2.28 2.03 0.00 0.00 0.00 0.00 0.00 0.00 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.