NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 42 E 4.3265 8.4029 116.7535 55.6281 32.4917 178.1020 43 R 3.7705 8.2476 117.7896 59.1005 29.0344 178.7521 44 R 4.0315 7.6953 118.7572 59.0887 31.3000 180.8671 45 R 4.0948 8.2333 120.5941 62.4108 29.2132 182.0110 46 R 4.3162 8.7472 124.0020 61.3552 29.1920 181.3929 47 L 4.2983 7.9012 123.3513 60.3473 41.0192 183.9587 48 L 4.2443 8.0690 125.3015 60.1738 40.7322 181.5547 49 E 4.1965 8.2206 121.9298 61.7823 29.4181 181.9986 50 L 4.2404 7.6895 124.7751 60.1933 41.0543 181.6670 51 Q 3.9745 8.5217 124.8045 60.6270 27.6942 181.5780 52 K 3.9171 8.7365 126.2599 59.4613 32.0863 182.6187 53 S 4.5368 8.4756 120.8992 64.2580 61.9336 181.1645 54 K 4.1255 8.8561 131.3719 60.9060 31.3253 180.9535 55 R 4.1636 8.8681 124.6511 62.4709 28.9631 180.6559 56 L 4.2475 7.8819 125.0727 60.2429 41.2072 182.1143 57 D 4.7730 8.0852 123.1229 59.2079 39.9796 180.9340 *58 Y 4.4835 7.5116 122.1701 61.2431 37.0581 180.2587 59 V 4.4245 8.0444 121.3192 65.5462 32.6932 183.9237 60 N 4.6390 8.5521 121.1092 58.4555 37.6540 181.3295 *61 H 4.1655 8.2401 119.5822 59.9099 27.9942 178.5549 62 A 4.4567 7.9806 123.7759 54.9852 18.4961 180.3366 63 R 4.0949 7.8128 121.4007 62.2686 29.7194 182.2750 64 R 4.4843 7.9688 124.9070 58.3657 29.6506 177.9092 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 42 E 8.40 4.33 0.00 1.91 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.88 0.00 43 R 8.25 3.77 0.00 1.90 1.92 0.00 3.24 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.26 0.00 44 R 7.70 4.03 0.00 1.73 1.85 0.00 3.24 0.00 0.00 3.37 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.20 0.00 45 R 8.23 4.09 0.00 1.81 1.98 0.00 3.22 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.28 0.00 46 R 8.75 4.32 0.00 1.76 1.97 0.00 3.23 0.00 0.00 3.20 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 47 L 7.90 4.30 0.00 1.64 1.69 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.07 4.24 0.00 1.64 1.72 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.22 4.20 0.00 1.98 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 2.26 2.24 0.00 50 L 7.69 4.24 0.00 1.67 1.70 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 51 Q 8.52 3.97 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 52 K 8.74 3.92 0.00 1.81 1.75 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.31 7.81 53 S 8.48 4.54 0.00 3.71 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.86 4.13 0.00 1.69 1.88 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.36 7.81 55 R 8.87 4.16 0.00 1.74 1.96 0.00 3.26 0.00 0.00 3.20 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 56 L 7.88 4.25 0.00 1.69 1.65 0.92 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 57 D 8.09 4.77 0.00 2.68 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 *58 Y 7.51 4.48 0.00 2.41 2.24 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 59 V 8.04 4.42 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 0.73 0.00 0.00 0.93 0.00 0.00 60 N 8.55 4.64 0.00 2.67 2.83 0.00 0.00 6.97 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *61 H 8.24 4.17 0.00 3.00 3.06 0.00 7.17 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.98 4.46 1.38 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 0.00 0.00 0.00 63 R 7.81 4.09 0.00 1.95 1.85 0.00 3.27 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 64 R 7.97 4.48 0.00 1.90 1.72 0.00 3.27 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 * Residues marked with a * may have inaccurate shift predictions.