NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 I 4.0319 8.0249 121.4424 59.8760 37.8538 174.9361 13 P 4.1850 0.0000 0.0000 62.5779 32.5870 174.7580 14 E 3.8220 8.6332 120.5479 59.0031 30.2735 179.2328 15 W 4.2359 8.1865 116.2956 59.2845 28.0564 178.2475 16 K 3.2764 6.4939 118.8337 58.3633 30.8621 178.7921 17 Q 4.0435 7.5375 117.5483 57.7794 29.0149 177.3478 18 E 3.8369 8.4024 119.2331 58.0008 29.6062 178.5500 19 E 3.9663 7.8084 119.9732 59.1674 30.0335 178.3913 20 V 3.8314 7.3724 118.1174 65.8974 31.2384 177.7019 21 D 4.3224 7.6261 117.8624 57.0406 40.9945 178.3326 22 A 3.9894 7.7270 120.8452 55.3582 18.2429 179.8078 23 I 3.6234 8.3279 118.5106 64.6571 37.3856 178.7153 24 V 3.8525 7.6478 118.4564 65.7940 31.1539 177.8751 25 E 3.8772 8.2814 119.3371 59.5591 29.3520 178.6194 26 M 4.0530 7.5821 116.8924 58.5890 32.1558 178.2641 27 I 3.8211 8.0615 118.8929 65.0066 37.2834 177.8155 28 E 4.0984 7.9072 118.8173 59.3628 29.4224 179.1350 29 S 4.1288 8.1536 114.6914 60.4983 63.9625 174.7753 *63 R 4.2032 7.1508 119.4768 55.4362 31.2884 175.9713 64 N 4.3864 8.6774 117.6401 56.8186 38.4885 177.8712 65 T 3.9484 7.8729 110.7406 64.6087 68.8088 176.1700 66 L 4.1653 7.8823 120.9081 56.2843 41.7156 179.1330 67 L 4.1093 7.5917 119.0132 57.4333 41.9586 178.4354 68 E 3.9181 8.4008 118.8776 59.6414 29.2211 179.0099 69 R 4.0607 7.7265 116.6673 59.7333 30.2739 177.5836 70 A 4.1446 7.7357 119.8800 55.3732 18.1963 179.5538 71 L 3.9086 8.0807 116.1069 58.2326 41.8301 179.0724 72 D 4.5461 8.6121 118.8101 56.5583 40.7848 176.7227 73 D 4.5213 7.7797 122.1983 53.2980 39.5015 175.4835 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 12 I 8.02 4.03 1.83 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 1.36 1.03 0.83 0.00 0.00 13 P 0.00 4.19 0.00 1.59 2.10 0.00 3.36 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.20 0.00 14 E 8.63 3.82 0.00 2.08 2.02 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 2.40 2.37 0.00 15 W 8.19 4.24 0.00 3.64 3.36 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 16 K 6.49 3.28 0.00 1.18 1.35 0.00 1.20 0.00 0.00 1.23 0.00 0.00 2.76 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.30 0.21 7.81 17 Q 7.54 4.04 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.93 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 18 E 8.40 3.84 0.00 2.07 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 2.34 2.50 0.00 19 E 7.81 3.97 0.00 2.32 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 2.38 2.39 0.00 20 V 7.37 3.83 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 0.94 0.00 0.00 0.89 0.00 0.00 21 D 7.63 4.32 0.00 2.56 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 22 A 7.73 3.99 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 23 I 8.33 3.62 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.76 0.92 0.00 0.00 24 V 7.65 3.85 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 0.99 0.00 0.00 0.97 0.00 0.00 25 E 8.28 3.88 0.00 2.24 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 0.00 2.31 2.35 0.00 26 M 7.58 4.05 0.00 2.01 2.21 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.58 0.00 27 I 8.06 3.82 2.01 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 1.52 0.63 0.91 0.00 0.00 28 E 7.91 4.10 0.00 2.28 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 2.34 2.31 0.00 29 S 8.15 4.13 0.00 4.04 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *63 R 7.15 4.20 0.00 1.98 1.98 0.00 3.29 0.00 0.00 3.44 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.82 0.00 64 N 8.68 4.39 0.00 2.77 2.88 0.00 0.00 6.65 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 T 7.87 3.95 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 1.22 0.00 0.00 66 L 7.88 4.17 0.00 1.91 1.74 0.92 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.59 4.11 0.00 1.81 1.70 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.40 3.92 0.00 1.97 2.01 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 2.33 2.64 0.00 69 R 7.73 4.06 0.00 2.02 2.12 0.00 3.30 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 70 A 7.74 4.14 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 71 L 8.08 3.91 0.00 1.73 1.74 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.61 4.55 0.00 2.86 2.76 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 73 D 7.78 4.52 0.00 2.71 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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.