NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3791 8.2893 120.3260 54.2609 33.2616 173.9201 2 P 4.5871 0.0000 0.0000 61.5995 30.4791 174.3552 3 R 4.3157 9.0180 126.3421 56.7344 32.7669 176.1981 4 L 5.0951 8.8448 120.8576 53.0591 44.6165 175.6207 5 K 4.8101 9.1073 124.8941 54.8624 34.1194 174.8425 6 V 4.8184 9.5616 128.8721 60.8776 34.4368 174.0138 7 K 5.5344 8.4312 127.9796 53.1939 35.1754 174.5800 8 L 4.3828 8.6622 129.8834 55.7730 42.3510 176.9634 9 V 4.5442 9.2119 119.7070 60.0270 34.1686 176.1357 10 K 4.4037 7.8183 120.4686 53.9621 34.2652 175.3587 11 S 4.1096 8.9068 120.7744 58.7060 62.6988 172.2686 12 P 4.7849 0.0000 0.0000 63.1750 31.9209 174.1829 13 I 3.9406 7.2449 121.0131 65.8567 36.4856 174.8582 14 G 3.7093 8.5848 112.9764 45.4229 0.0000 172.1051 15 Y 4.5334 8.0665 118.0679 55.7484 39.7710 174.3173 16 P 4.4564 0.0000 0.0000 62.5295 33.4135 177.4552 17 K 3.8270 8.7847 119.3723 59.9881 31.9850 178.7300 18 D 4.4083 8.1766 118.4170 57.2007 38.9431 178.9829 19 Q 4.0399 8.1434 119.4904 58.2377 28.7214 178.9698 20 K 4.0765 8.1648 119.1582 58.8916 32.0103 179.4477 21 A 3.9319 8.5263 121.6647 54.9290 18.2957 179.0548 22 A 3.8959 8.4491 119.8165 55.7169 18.2962 179.7093 23 L 3.8039 7.6615 116.7035 57.9711 41.8288 179.7480 24 K 3.8700 7.8496 118.7516 59.5240 31.8759 178.7352 25 A 4.0349 8.2002 120.4770 54.9760 18.4502 179.0530 26 L 4.2051 8.5848 116.0339 55.0750 41.8069 177.7983 27 G 3.7514 7.5928 106.4967 46.2966 0.0000 174.1745 28 L 4.6659 7.9129 121.2485 53.3622 40.1960 176.7687 29 R 4.1894 8.6196 123.2534 57.7394 30.9617 177.8916 30 R 4.2984 7.4138 118.5087 55.3545 31.1703 176.7104 31 L 4.1261 8.1664 119.4532 55.7560 42.3548 177.5424 32 Q 3.9807 9.2522 117.6860 56.8371 27.1315 172.6984 33 Q 4.3747 7.4712 120.2673 55.3974 30.3013 174.3314 34 E 5.0237 8.7244 126.0902 55.2142 30.9925 175.5178 35 R 4.6091 9.5510 124.7484 54.5885 33.9334 174.1182 36 V 5.0037 8.5255 119.0835 59.9213 33.1653 174.9535 37 L 4.8533 8.7271 125.9667 52.0972 45.3218 175.9541 38 E 4.0357 8.8980 122.4975 57.1207 30.1052 176.5998 39 D 4.6064 8.7757 126.6185 53.5917 40.0140 175.5470 40 T 4.7526 7.8324 115.9125 58.2223 73.4155 172.5123 41 P 4.3833 0.0000 0.0000 66.3523 31.5409 178.0065 42 A 3.8952 8.2117 118.0689 55.9655 17.8318 179.2539 43 I 3.7165 7.9340 115.6391 64.3779 37.3493 178.8619 44 R 4.0419 9.2282 119.4051 59.4130 29.7482 179.0494 45 G 3.6670 8.2520 104.1768 48.1136 0.0000 175.1547 46 N 4.4414 7.8328 117.4115 56.0871 38.1033 177.4385 47 V 3.5101 7.3405 119.4847 66.3309 31.5849 177.6714 48 E 3.9671 8.9656 118.7755 59.5483 29.1495 179.3965 49 K 3.9876 8.1100 118.3054 58.8174 32.4329 178.3215 50 V 4.0045 7.0038 111.2829 60.8596 32.0629 177.6342 51 A 3.9676 7.6478 125.5428 55.8361 18.1952 180.2096 52 H 4.4712 7.6706 107.9273 57.0176 28.9738 175.4310 53 L 4.6509 8.2000 119.9310 54.5321 43.3188 175.8024 54 V 4.9713 7.6112 117.9121 61.0321 35.5836 174.5413 55 R 4.6647 8.7439 122.2177 54.2747 32.9208 174.9849 56 V 4.8683 8.4657 123.4599 61.0336 34.1393 174.1943 57 E 4.6945 8.7238 127.4837 54.3041 32.5373 175.2242 58 V 4.0763 8.4686 126.3846 63.2290 33.1708 176.3732 59 V 4.1948 8.6095 127.7873 62.4847 33.4550 174.9375 *60 E 4.1603 8.4518 121.4710 55.7058 30.3181 174.6655 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 8.29 4.38 0.00 2.02 2.26 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 2 P 0.00 4.59 0.00 2.25 2.14 0.00 3.37 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 3 R 9.02 4.32 0.00 1.79 2.03 0.00 3.09 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 4 L 8.84 5.10 0.00 1.55 1.54 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 5 K 9.11 4.81 0.00 1.76 1.66 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.35 7.81 6 V 9.56 4.82 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.91 0.00 0.00 7 K 8.43 5.53 0.00 1.85 1.59 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.17 7.81 8 L 8.66 4.38 0.00 1.75 1.55 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 9 V 9.21 4.54 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 1.06 0.00 0.00 0.96 0.00 0.00 10 K 7.82 4.40 0.00 1.66 1.64 0.00 1.86 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.47 7.81 11 S 8.91 4.11 0.00 3.90 3.85 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 0.00 0.00 0.00 12 P 0.00 4.78 0.00 2.33 2.27 0.00 3.82 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 13 I 7.24 3.94 1.90 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 1.28 0.83 0.92 0.00 0.00 14 G 8.58 3.71 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 0.00 0.00 0.00 15 Y 8.07 4.53 0.00 3.05 2.93 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 16 P 0.00 4.46 0.00 2.47 2.03 0.00 3.97 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00 17 K 8.78 3.83 0.00 1.77 1.90 0.00 1.74 0.00 0.00 1.89 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.49 7.81 18 D 8.18 4.41 0.00 2.87 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 19 Q 8.14 4.04 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.94 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 20 K 8.16 4.08 0.00 1.98 1.88 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.67 7.81 21 A 8.53 3.93 1.36 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 0.00 0.00 22 A 8.45 3.90 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.66 3.80 0.00 1.84 1.90 0.88 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.85 3.87 0.00 1.81 2.01 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.46 7.81 25 A 8.20 4.03 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.58 4.21 0.00 1.57 1.71 0.88 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.59 3.75 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 0.00 0.00 0.00 28 L 7.91 4.67 0.00 1.61 1.64 0.89 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.62 4.19 0.00 1.75 1.87 0.00 3.15 0.00 0.00 3.22 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 30 R 7.41 4.30 0.00 1.80 1.85 0.00 3.21 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 31 L 8.17 4.13 0.00 1.71 1.59 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 9.25 3.98 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.92 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 33 Q 7.47 4.37 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.27 6.85 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 34 E 8.72 5.02 0.00 1.88 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 2.25 2.29 0.00 35 R 9.55 4.61 0.00 1.76 1.69 0.00 3.11 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 36 V 8.53 5.00 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 0.77 0.00 0.00 0.93 0.00 0.00 37 L 8.73 4.85 0.00 1.53 1.51 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.90 4.04 0.00 1.95 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 2.30 2.39 0.00 39 D 8.78 4.61 0.00 2.73 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 7.83 4.75 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 1.23 0.00 0.00 41 P 0.00 4.38 0.00 2.17 2.15 0.00 3.62 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 2.11 2.16 0.00 42 A 8.21 3.90 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 7.93 3.72 2.01 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 1.51 1.17 0.90 0.00 0.00 44 R 9.23 4.04 0.00 2.11 1.98 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 45 G 8.25 3.67 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 0.00 0.00 0.00 46 N 7.83 4.44 0.00 2.87 2.84 0.00 0.00 6.61 7.56 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 47 V 7.34 3.51 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.98 0.00 0.00 48 E 8.97 3.97 0.00 2.17 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 0.00 2.53 2.47 0.00 49 K 8.11 3.99 0.00 1.87 1.97 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.48 7.81 50 V 7.00 4.00 1.91 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 0.63 0.00 0.00 0.97 0.00 0.00 51 A 7.65 3.97 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 52 H 7.67 4.47 0.00 3.21 3.43 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.20 4.65 0.00 1.40 1.82 0.56 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.61 4.97 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 0.79 0.00 0.00 0.87 0.00 0.00 55 R 8.74 4.66 0.00 1.76 1.77 0.00 3.13 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 56 V 8.47 4.87 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 0.81 0.00 0.00 0.91 0.00 0.00 57 E 8.72 4.69 0.00 2.05 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.21 0.00 58 V 8.47 4.08 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 0.79 0.00 0.00 0.93 0.00 0.00 59 V 8.61 4.19 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 0.79 0.00 0.00 0.93 0.00 0.00 *60 E 8.45 4.16 0.00 1.77 1.75 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.