NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.2565 8.2027 121.7151 55.3648 30.2925 174.0279 2 V 4.5926 7.9837 122.8391 63.0159 32.5343 173.7661 3 Q 4.6657 9.1977 123.5673 54.9740 33.8511 172.6323 4 L 4.8204 8.5805 122.8583 53.0144 44.8069 175.6594 5 L 4.5509 8.7542 127.4927 53.6523 43.4308 175.4464 6 E 5.7675 8.6544 125.4473 54.0246 32.1345 175.1541 7 S 4.7910 8.4084 116.8026 58.1101 65.3744 175.4067 8 G 4.4992 9.0833 112.1484 43.5928 0.0000 172.2591 9 A 3.8963 7.7923 123.6408 52.2352 19.2091 177.4506 10 E 4.3042 8.8690 121.2925 57.8578 30.6092 176.4101 11 L 4.6469 7.5087 118.5605 53.6753 43.7362 174.9382 12 M 4.7204 8.0505 122.5938 53.9495 35.1944 174.5053 13 K 4.1355 8.4808 124.2161 55.7094 32.9206 174.9670 14 P 4.2989 0.0000 0.0000 63.7537 31.9981 175.9971 15 G 4.2349 8.8694 110.7228 45.9822 0.0000 174.2730 16 A 4.3137 7.2323 121.3093 51.2964 19.5316 176.0095 17 S 4.8409 8.2367 110.9041 56.6268 66.0940 173.5034 18 V 4.5009 7.9495 119.0670 59.7136 34.2584 174.6483 19 K 4.4268 8.4459 121.2760 54.6390 34.5298 175.0983 20 I 4.8463 8.2396 126.8787 59.7134 39.1202 175.2416 21 S 4.9372 9.1784 121.5735 57.3266 65.9284 172.8885 22 C 5.1717 8.6738 120.9311 55.2660 45.5174 173.0293 23 K 4.3791 9.5451 127.5384 55.5364 32.5446 177.1466 24 A 4.8731 8.4498 126.9708 51.6246 19.8726 176.3374 25 T 3.8842 8.8165 111.8948 64.0792 72.5331 174.3970 26 G 4.4441 10.4225 112.3000 46.4163 0.0000 172.2529 27 Y 4.5425 7.0484 114.8844 56.1424 39.9793 174.1420 28 T 4.0094 8.3504 116.9023 63.3300 67.4873 174.9147 29 F 4.0043 8.6910 130.4181 61.1039 39.5477 177.7316 30 S 4.0938 8.1323 113.9667 60.8367 63.0060 175.0116 31 S 4.2181 7.6254 111.9796 58.4578 63.4059 173.7057 32 F 4.8435 7.3089 120.7439 55.2679 40.6446 175.5778 33 W 4.4964 8.9999 124.9230 56.9246 30.0931 175.4791 34 I 4.5246 9.3654 124.1701 59.7890 38.9629 175.1755 35 E 5.1155 8.7928 126.4378 55.2809 31.6004 175.7311 36 W 5.0537 8.8141 120.4688 55.2405 33.1319 174.9418 37 V 5.0140 8.5976 116.7958 59.5200 35.1195 174.7098 38 K 4.5661 9.3129 125.7817 55.0997 34.4239 175.1983 39 Q 5.3322 8.4969 126.4757 53.6220 31.3274 173.9791 40 R 4.6274 8.4877 125.7872 54.5710 32.1942 176.9491 41 P 4.1574 0.0000 0.0000 65.2749 31.6883 177.3171 42 G 4.0829 8.1112 103.5333 45.6133 0.0000 173.2072 43 H 4.7654 8.9908 115.2623 54.1095 30.6474 176.5185 44 G 3.7003 7.8302 108.7984 46.6277 0.0000 172.5361 45 L 4.9097 8.4177 121.9799 53.6310 43.2726 175.4116 46 E 4.7787 9.1031 123.5840 54.0798 33.1320 174.1769 47 W 4.8104 8.9829 135.0000 57.1712 30.8057 175.7481 48 I 3.7460 8.7301 129.7311 62.5883 37.4559 176.9185 49 G 2.5381 5.6643 107.2884 44.8664 0.0000 170.0222 50 E 5.5694 7.8901 116.0903 55.1822 33.2405 174.7646 51 I 4.8025 9.2756 120.0920 59.6764 41.7819 174.6392 52 L 3.8176 7.9761 127.9114 52.4572 42.2644 174.4275 *521 P 4.1083 0.0000 0.0000 62.4619 31.5865 176.8635 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 Q 8.20 4.26 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 7.00 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 2 V 7.98 4.59 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.72 0.00 0.00 3 Q 9.20 4.67 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.62 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 4 L 8.58 4.82 0.00 1.42 1.52 1.02 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.75 4.55 0.00 1.74 1.55 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.65 5.77 0.00 1.93 1.95 0.00 0.00 0.00 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 2.12 0.00 7 S 8.41 4.79 0.00 3.97 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 8 G 9.08 4.50 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 0.00 0.00 0.00 9 A 7.79 3.90 1.26 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 10 E 8.87 4.30 0.00 1.97 2.01 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 2.26 2.23 0.00 11 L 7.51 4.65 0.00 1.57 1.54 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 12 M 8.05 4.72 0.00 1.94 1.85 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.75 0.00 13 K 8.48 4.14 0.00 1.85 1.71 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.53 1.46 7.81 14 P 0.00 4.30 0.00 2.03 1.98 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 15 G 8.87 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.23 4.31 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.24 4.84 0.00 3.89 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.95 4.50 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 0.72 0.00 0.00 0.95 0.00 0.00 19 K 8.45 4.43 0.00 1.62 1.65 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.40 7.81 20 I 8.24 4.85 1.87 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.72 1.22 0.00 0.00 21 S 9.18 4.94 0.00 3.92 4.03 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 22 C 8.67 5.17 0.00 3.06 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.55 4.38 0.00 1.82 1.73 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.52 7.81 24 A 8.45 4.87 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.82 3.88 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 26 G 10.42 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 27 Y 7.05 4.54 0.00 3.03 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.35 4.01 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 29 F 8.69 4.00 0.00 2.77 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.13 4.09 0.00 3.97 4.01 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 31 S 7.63 4.22 0.00 3.75 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 F 7.31 4.84 0.00 3.34 3.06 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 0.00 0.00 0.00 0.00 33 W 9.00 4.50 0.00 3.23 3.44 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 34 I 9.37 4.52 1.99 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.02 0.67 0.00 0.00 35 E 8.79 5.12 0.00 1.92 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 36 W 8.81 5.05 0.00 3.11 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.60 5.01 2.33 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 0.79 0.00 0.00 1.01 0.00 0.00 38 K 9.31 4.57 0.00 1.82 1.69 0.00 1.57 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.38 7.81 39 Q 8.50 5.33 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.50 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 40 R 8.49 4.63 0.00 1.84 1.79 0.00 3.15 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 41 P 0.00 4.16 0.00 2.09 2.07 0.00 3.66 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 42 G 8.11 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 H 8.99 4.77 0.00 3.07 3.33 0.00 5.81 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 44 G 7.83 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.42 4.91 0.00 1.69 1.67 0.95 0.78 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 46 E 9.10 4.78 0.00 2.04 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 2.27 2.29 0.00 47 W 8.98 4.81 0.00 3.29 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.73 3.75 1.82 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 1.14 0.84 0.77 0.00 0.00 49 G 5.66 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.89 5.57 0.00 2.48 2.44 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 2.73 2.55 0.00 51 I 9.28 4.80 1.97 0.00 0.00 1.34 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 1.16 0.95 0.00 0.00 52 L 7.98 3.82 0.00 0.27 0.84 0.52 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 *521 P 0.00 4.11 0.00 1.57 1.01 0.00 3.56 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.48 0.00 * Residues marked with a * may have inaccurate shift predictions.