NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3805 8.4045 118.7933 53.3319 33.3981 175.5416 2 K 4.0207 8.3472 115.8899 55.7096 35.8417 175.5155 3 E 3.8698 9.0274 122.7130 56.3088 29.0666 173.5142 4 G 4.2646 8.7507 102.3475 46.3777 0.0000 172.0628 5 I 4.5552 7.5515 117.0934 61.1314 40.2759 179.2052 *6 H 4.9986 8.0547 118.0833 54.2217 28.3883 180.3245 7 P 4.8729 0.0000 0.0000 64.0961 37.1208 177.1856 8 K 5.0749 9.1500 124.7136 55.1987 36.7834 175.5783 9 L 4.7417 8.5947 122.1300 55.9587 47.0747 176.6396 10 V 3.5823 9.4422 119.5378 63.1846 29.4919 172.8980 11 P 4.9564 0.0000 0.0000 62.8163 31.8092 177.0961 12 A 4.4691 8.0404 120.4219 54.1958 19.1986 179.2608 13 R 4.5268 9.1063 118.4479 59.0232 29.8133 181.4876 14 I 4.2725 9.1764 110.4946 61.6646 35.5867 180.1835 15 I 4.0879 7.7352 123.7849 60.6545 33.9497 179.5064 16 C 4.1027 8.7934 122.6406 57.7218 39.3940 175.4973 17 G 3.8412 8.6449 110.2877 46.1769 0.0000 175.1267 18 C 4.5307 7.9585 126.4994 54.9240 38.8508 175.0450 19 G 3.5909 8.0005 112.3896 46.9370 0.0000 174.8018 20 N 4.5561 8.1700 114.2379 54.1825 37.3131 178.3331 21 V 4.4889 7.6170 116.2230 61.7475 33.5283 181.6912 22 I 3.5167 8.5736 121.0321 64.4853 35.5713 181.1703 23 E 4.6976 7.5902 119.5094 58.6848 36.4924 179.6015 24 T 4.1391 8.2928 111.2996 60.6888 71.0089 174.0708 *25 Y 4.5017 8.4577 133.4137 56.9265 35.9094 174.8790 26 S 4.8744 9.2505 114.5876 60.4513 63.5854 176.4769 27 T 4.4287 7.6085 122.9980 62.1688 66.8248 182.6468 28 K 4.2412 9.1061 122.4550 56.1467 32.7547 175.6571 29 P 4.1670 0.0000 0.0000 64.5874 27.6131 176.7598 30 E 4.0677 8.3991 117.2148 58.3191 29.7858 180.1199 31 I 3.3623 7.9734 116.9662 62.4512 33.4928 179.1549 *32 Y 4.3211 7.8375 124.8659 57.7630 37.5205 178.4758 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 4.38 0.00 2.05 2.01 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 8.35 4.02 0.00 1.78 1.57 0.00 1.88 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.14 1.07 7.81 3 E 9.03 3.87 0.00 2.15 1.19 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 0.00 2.11 1.86 0.00 4 G 8.75 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.55 4.56 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 0.88 0.91 0.00 0.00 *6 H 8.05 5.00 0.00 2.92 2.01 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 4.87 0.00 2.02 1.11 0.00 3.65 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 1.75 1.48 0.00 8 K 9.15 5.07 0.00 1.71 1.60 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.24 0.95 7.81 9 L 8.59 4.74 0.00 1.51 0.94 0.92 0.87 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 10 V 9.44 3.58 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 4.96 0.00 1.94 1.98 0.00 3.70 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 1.90 1.54 0.00 12 A 8.04 4.47 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.11 4.53 0.00 1.65 1.54 0.00 3.27 0.00 0.00 3.20 7.84 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 9.18 4.27 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 7.74 4.09 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 8.79 4.10 0.00 2.72 2.81 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 0.00 0.00 0.00 0.00 17 G 8.64 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 4.53 0.00 2.74 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.17 4.56 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 7.62 4.49 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 3.52 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 7.59 4.70 0.00 1.80 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.01 0.00 24 T 8.29 4.14 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 8.46 4.50 0.00 2.23 1.50 0.00 0.00 0.00 0.00 0.00 0.00 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 9.25 4.87 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 7.61 4.43 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 9.11 4.24 0.00 1.77 1.64 0.00 1.91 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.00 7.81 29 P 0.00 4.17 0.00 2.15 2.12 0.00 3.71 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 8.40 4.07 0.00 1.98 1.90 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 2.23 1.89 0.00 31 I 7.97 3.36 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 7.84 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.