NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.1622 7.9133 120.6702 62.9555 33.2504 174.1783 3 D 5.4536 8.6447 126.6925 52.6101 44.1530 173.3968 4 Y 5.1623 9.1956 117.6534 56.3664 42.6951 174.0731 5 I 4.8482 8.6933 122.6485 59.3641 40.7479 174.6126 6 V 4.2178 8.6652 129.3589 62.9223 31.8571 176.0745 7 E 4.2807 9.4524 127.5320 57.2325 31.1378 176.0692 8 Y 4.8779 7.8468 115.0442 55.9970 42.0047 175.1078 9 D 4.9220 9.0694 123.0667 54.8885 42.0153 175.1794 10 Y 4.8267 9.0177 122.4878 56.1249 42.6040 173.2269 11 D 4.9022 7.7183 125.5367 51.9739 42.6643 176.1239 12 A 4.2480 8.1552 125.7887 52.8526 18.6207 177.6994 13 V 4.1692 9.1662 114.4452 61.3970 32.9658 175.3928 14 H 4.9977 7.6002 116.2446 53.9388 32.7017 174.0643 15 D 4.4629 8.7304 121.0677 57.0363 40.9082 177.2075 16 D 4.6755 8.1129 117.2576 53.5046 39.9348 175.3063 17 E 5.3419 7.9544 119.4033 55.2537 31.8313 175.2815 18 L 4.7296 9.0505 122.0205 53.9881 43.5790 176.3159 19 T 4.8051 8.4463 119.2914 62.3882 69.8253 174.2295 20 I 4.9144 8.9129 119.5357 59.2184 41.4722 174.5906 21 R 5.2385 8.9855 121.5739 53.9673 34.5635 175.1047 22 V 3.8826 8.5530 121.6093 65.1309 31.8122 176.0956 23 G 4.0515 8.9508 115.5928 45.2955 0.0000 173.8263 24 E 4.1923 8.0435 118.9811 56.5440 30.8325 175.9962 25 I 4.8194 8.2102 122.7799 59.7934 39.4022 174.9343 26 I 4.4863 8.7959 128.4685 59.8380 39.1214 175.0703 27 R 4.8474 8.9863 126.2238 54.8455 32.3668 175.4350 28 N 4.1499 8.5844 118.7591 54.6039 37.3457 174.1995 29 V 4.5240 8.3058 118.6656 62.1157 33.4759 176.1165 30 K 4.7151 9.0240 126.7096 54.3743 35.5126 175.0319 31 K 4.4437 8.6484 125.8177 55.8484 32.9048 176.1643 32 L 4.4711 7.9739 127.3248 53.6728 42.6561 176.9450 33 Q 3.9594 8.8357 120.3339 59.0577 28.8989 176.8906 34 E 3.9687 8.0742 119.3994 55.8901 29.3797 175.5984 35 E 4.0691 8.6226 126.6431 58.1504 30.1210 177.9558 36 G 3.9297 9.2667 111.1083 44.6332 0.0000 172.4715 37 W 4.8930 7.8547 118.9886 54.6636 32.8655 174.5218 38 L 4.6908 8.3571 121.7836 52.7607 45.8063 174.9021 39 E 5.0906 8.4709 120.7799 54.8142 33.0513 174.9083 40 G 4.4363 8.9359 111.8744 46.1352 0.0000 170.9997 41 E 5.2771 8.9358 121.1482 54.2738 32.1099 174.5551 42 L 4.7814 8.7540 128.5195 53.8009 45.7624 175.8957 43 N 4.3558 9.6877 123.8069 54.6042 35.9335 175.0528 44 G 3.9237 8.4845 102.6573 45.8200 0.0000 173.5638 45 R 4.6820 7.6585 119.7109 54.2937 32.9772 174.5813 46 R 5.0455 8.5738 124.7377 55.4076 32.0358 175.6456 47 G 4.1772 8.8889 108.9013 46.2882 0.0000 171.5329 48 M 5.4751 9.0285 119.9414 54.3124 34.0265 175.9419 49 F 5.3199 8.8897 116.4675 54.7704 41.9856 171.6740 50 P 3.6335 0.0000 0.0000 62.1261 31.7908 176.9954 51 D 4.2521 8.9313 122.6153 55.2395 39.7131 177.1600 52 N 4.8098 7.9968 115.9785 52.9439 37.7621 175.0089 53 F 4.8750 8.1849 116.9629 57.8647 40.3600 175.2630 54 V 5.1765 7.8103 110.9311 59.7455 36.2696 174.2696 55 K 4.7247 9.2208 122.7361 54.3078 35.4535 175.0134 56 E 2.9057 8.6282 128.1731 56.0745 30.2378 175.9383 57 I 3.9974 8.1889 128.7911 61.0282 37.2266 175.0780 58 K 4.1373 8.7718 127.4410 58.3345 34.4661 177.1336 *59 R 4.1415 7.8963 119.5233 56.3765 30.0213 176.7566 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 2 V 7.91 4.16 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.98 0.00 0.00 3 D 8.64 5.45 0.00 2.73 2.67 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 0.00 0.00 0.00 0.00 4 Y 9.20 5.16 0.00 2.86 2.92 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 0.00 0.00 0.00 5 I 8.69 4.85 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.71 0.99 0.00 0.00 6 V 8.67 4.22 2.23 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 1.13 0.00 0.00 0.89 0.00 0.00 7 E 9.45 4.28 0.00 2.06 1.51 0.00 0.00 0.00 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 2.31 0.00 8 Y 7.85 4.88 0.00 2.72 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.07 4.92 0.00 2.71 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.02 4.83 0.00 2.37 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 7.72 4.90 0.00 2.30 2.37 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 12 A 8.16 4.25 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 V 9.17 4.17 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 0.69 0.00 0.00 1.08 0.00 0.00 14 H 7.60 5.00 0.00 3.23 3.08 0.00 5.62 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.73 4.46 0.00 2.67 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.11 4.68 0.00 2.83 2.87 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 0.00 0.00 0.00 17 E 7.95 5.34 0.00 2.18 2.32 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 2.35 2.31 0.00 18 L 9.05 4.73 0.00 1.61 1.62 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.45 4.81 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 1.27 0.00 0.00 20 I 8.91 4.91 1.83 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.04 0.80 0.00 0.00 21 R 8.99 5.24 0.00 1.71 1.81 0.00 3.34 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 22 V 8.55 3.88 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.98 0.00 0.00 23 G 8.95 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.04 4.19 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 2.32 2.39 0.00 25 I 8.21 4.82 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.85 0.93 0.00 0.00 26 I 8.80 4.49 1.67 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.41 0.73 0.00 0.00 27 R 8.99 4.85 0.00 1.77 1.86 0.00 3.29 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 28 N 8.58 4.15 0.00 2.88 2.88 0.00 0.00 7.06 7.23 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 29 V 8.31 4.52 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 1.20 0.00 0.00 30 K 9.02 4.72 0.00 1.73 1.65 0.00 1.81 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.41 7.81 31 K 8.65 4.44 0.00 1.77 1.71 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.44 7.81 32 L 7.97 4.47 0.00 1.70 1.56 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.84 3.96 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.07 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 34 E 8.07 3.97 0.00 1.94 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 2.41 2.29 0.00 35 E 8.62 4.07 0.00 2.04 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 2.33 2.34 0.00 36 G 9.27 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 W 7.85 4.89 0.00 3.31 2.99 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 38 L 8.36 4.69 0.00 0.27 0.76 0.14 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.47 5.09 0.00 1.99 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 40 G 8.94 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.94 5.28 0.00 2.07 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 42 L 8.75 4.78 0.00 1.61 1.38 0.88 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 43 N 9.69 4.36 0.00 2.90 2.88 0.00 0.00 7.11 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.48 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.66 4.68 0.00 1.92 1.90 0.00 3.10 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 46 R 8.57 5.05 0.00 1.76 1.88 0.00 3.33 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 47 G 8.89 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 M 9.03 5.48 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.48 0.00 49 F 8.89 5.32 0.00 2.96 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 3.63 0.00 1.72 0.74 0.00 2.99 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.44 0.00 51 D 8.93 4.25 0.00 2.80 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.00 4.81 0.00 2.72 2.89 0.00 0.00 5.95 7.43 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 53 F 8.18 4.88 0.00 3.07 3.40 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 54 V 7.81 5.18 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.31 0.00 0.00 55 K 9.22 4.72 0.00 1.95 1.61 0.00 1.75 0.00 0.00 1.56 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.27 1.35 7.81 56 E 8.63 2.91 0.00 1.35 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.74 0.00 57 I 8.19 4.00 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.61 0.88 0.00 0.00 58 K 8.77 4.14 0.00 1.65 1.76 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.30 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.24 1.29 7.81 *59 R 7.90 4.14 0.00 1.57 1.74 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.