NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.7358 8.1449 118.8705 57.0765 39.3042 174.2657 2 R 4.1264 7.8854 119.4582 56.2101 30.0721 170.6958 3 V 4.3219 9.2101 120.2931 63.9485 36.2148 175.1177 *5 S 4.2210 7.7565 114.2749 56.6723 63.6018 172.4265 6 Y 4.3404 6.7932 115.4806 57.5041 41.6254 173.5359 7 D 4.7770 8.4789 122.9765 50.9882 39.6574 174.9565 8 F 4.3108 9.1116 125.8567 61.5954 39.8095 175.8799 9 S 3.7585 8.2461 111.0018 59.0887 59.7756 170.3263 10 R 4.5421 7.0108 121.4137 55.4847 36.1644 176.3034 11 S 3.7461 7.8637 109.2541 58.9473 62.8663 171.8090 12 D 4.6537 7.6472 119.7968 55.8879 42.1553 177.7048 13 E 3.8849 8.1049 118.8986 58.8257 29.5077 177.4897 14 L 3.2342 7.2017 116.3583 55.3572 42.4730 177.2011 15 A 4.1362 7.5057 119.8204 54.7120 18.9536 178.9457 16 K 3.6999 7.7489 118.4897 59.9604 32.0875 178.8970 17 L 3.9640 7.2239 119.0401 57.9004 41.3892 179.5662 18 L 4.0067 7.6875 117.0147 57.5294 41.5863 179.4728 19 R 4.0506 8.1898 118.0068 59.3482 30.1311 178.5795 20 Q 4.3238 8.0682 116.6893 58.2036 29.3062 176.9180 21 H 4.5865 8.1417 118.6815 54.4440 27.7503 174.0182 22 A 4.4801 8.1454 124.6802 52.4860 21.3191 176.3536 23 G 3.7859 7.8921 107.4519 46.5545 0.0000 172.9937 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 Y 8.14 4.74 0.00 3.06 3.01 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 0.00 0.00 0.00 2 R 7.89 4.13 0.00 2.07 1.98 0.00 3.43 0.00 0.00 4.01 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 3 V 9.21 4.32 2.18 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 0.91 0.00 0.00 0.99 0.00 0.00 *5 S 7.76 4.22 0.00 3.80 3.69 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 6 Y 6.79 4.34 0.00 2.85 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 0.00 0.00 0.00 7 D 8.48 4.78 0.00 2.79 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 8 F 9.11 4.31 0.00 2.85 2.90 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 9 S 8.25 3.76 0.00 4.01 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 10 R 7.01 4.54 0.00 1.77 1.74 0.00 3.55 0.00 0.00 3.42 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.68 0.00 11 S 7.86 3.75 0.00 4.15 4.10 0.00 0.00 0.00 0.00 0.00 0.00 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 7.65 4.65 0.00 2.58 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.10 3.88 0.00 2.11 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 14 L 7.20 3.23 0.00 0.27 0.70 -0.59 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.51 4.14 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.75 3.70 0.00 2.04 1.93 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.48 7.81 17 L 7.22 3.96 0.00 1.78 1.68 0.89 0.67 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 18 L 7.69 4.01 0.00 1.63 1.70 0.83 0.91 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 19 R 8.19 4.05 0.00 1.86 1.96 0.00 3.14 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 20 Q 8.07 4.32 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.05 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 21 H 8.14 4.59 0.00 3.23 3.27 0.00 5.60 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.15 4.48 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.89 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.