NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8787 8.3549 109.7359 45.2823 0.0000 172.9812 2 K 4.2973 8.3339 118.5789 52.3196 33.8040 174.6584 3 K 4.3135 8.3425 124.3452 55.8149 34.9867 177.2667 4 S 4.5090 8.2689 117.3119 57.3376 65.7316 175.1732 5 K 3.9320 8.4480 121.4775 59.4550 31.8594 178.4374 6 A 3.9595 7.8895 120.5919 55.5226 18.3806 179.4205 7 T 3.8235 7.8054 114.1986 66.6792 68.4114 176.6305 8 K 3.9024 8.1396 121.3589 59.4630 32.2291 178.8996 9 K 3.9410 7.9600 118.7019 59.5783 31.9641 179.5236 10 R 3.9276 8.0361 118.1604 59.2799 30.0107 179.0680 11 L 3.9749 8.2414 118.7976 57.6222 41.6114 179.2778 12 A 3.9818 8.2894 121.0415 55.1252 18.3505 179.5159 13 K 3.8509 8.1254 117.8549 59.7896 32.0847 178.6967 14 L 4.1746 7.7804 117.7794 58.0871 41.9622 178.8537 15 D 4.4644 8.2861 117.7710 57.2946 41.1529 177.8103 16 N 4.3221 8.2135 117.5789 56.8629 38.8020 176.8838 17 Q 4.1484 8.4425 118.3678 58.3731 28.7104 177.3464 18 N 4.7420 7.5726 116.3374 53.2582 39.0314 174.6042 19 S 4.5030 7.4391 114.1547 57.0102 64.7810 173.0996 20 R 4.3042 7.9425 120.6142 54.3951 31.2423 175.5218 21 V 3.5833 8.0052 121.1281 61.5303 31.5998 173.8895 22 P 4.1518 0.0000 0.0000 62.7930 31.6211 176.7169 23 A 3.9956 8.8364 123.3160 55.3862 18.5791 180.1725 24 W 4.3084 8.1572 113.0069 59.6669 28.1785 178.4816 25 V 3.4876 6.5686 118.9557 65.6949 30.6846 178.0455 26 M 4.0050 7.6766 118.4541 58.2288 31.8420 178.5887 27 L 3.9517 7.8441 118.5099 57.7928 41.7795 178.9938 28 K 3.8822 8.3312 119.3325 59.6420 32.1125 177.3326 29 T 4.3162 7.9859 105.4777 60.6219 69.2640 174.1116 30 D 4.2708 9.1585 121.2027 55.6298 38.9929 170.5080 31 R 3.7199 8.1663 124.2023 55.4862 31.3609 176.9433 *35 R 3.8774 8.3780 119.8162 56.1786 31.1846 175.3134 36 N 4.5346 8.1864 122.2518 52.0693 37.6929 174.6597 37 H 4.4352 8.2549 117.3052 56.7391 28.7146 175.9327 38 K 4.6016 8.0891 118.6982 55.9718 33.0027 176.5029 39 R 4.0367 8.2311 118.8708 56.1358 29.9593 175.9877 40 R 4.5477 8.4707 123.5835 54.5408 32.2039 174.4004 41 H 4.9078 8.4233 124.5562 53.8939 31.5261 175.5357 42 W 4.1991 8.4479 123.1696 59.4932 28.1584 177.4267 43 R 3.7399 5.8486 117.7971 58.5582 29.6668 177.7001 44 R 3.8906 7.7063 115.1969 58.1416 30.2420 176.0714 45 N 4.9688 7.7002 114.0903 51.2227 41.2521 173.1939 46 D 4.6575 8.1804 117.6043 52.9768 43.8674 175.0869 47 T 4.3465 8.3565 116.6553 60.5802 70.4814 173.5271 48 D 4.5986 8.1886 121.6789 54.3160 42.0390 176.8114 49 E 4.1589 8.6534 118.6291 56.8771 28.8741 175.0016 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 G 8.35 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.33 4.30 0.00 1.79 1.72 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.43 7.81 3 K 8.34 4.31 0.00 1.86 1.80 0.00 1.56 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.41 7.81 4 S 8.27 4.51 0.00 4.07 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 5 K 8.45 3.93 0.00 1.84 1.84 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.51 7.81 6 A 7.89 3.96 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 7 T 7.81 3.82 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 8 K 8.14 3.90 0.00 1.97 2.00 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 9 K 7.96 3.94 0.00 2.01 1.85 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.71 7.81 10 R 8.04 3.93 0.00 2.05 1.98 0.00 3.35 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 11 L 8.24 3.97 0.00 1.82 1.72 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.29 3.98 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.13 3.85 0.00 1.85 1.98 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 14 L 7.78 4.17 0.00 1.85 1.75 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.29 4.46 0.00 2.80 2.85 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 16 N 8.21 4.32 0.00 2.85 2.93 0.00 0.00 7.25 6.08 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 17 Q 8.44 4.15 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 7.19 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 18 N 7.57 4.74 0.00 3.03 2.87 0.00 0.00 7.16 6.92 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 19 S 7.44 4.50 0.00 4.00 3.88 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 0.00 0.00 0.00 20 R 7.94 4.30 0.00 1.76 1.84 0.00 3.21 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 21 V 8.01 3.58 1.96 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 0.68 0.00 0.00 0.83 0.00 0.00 22 P 0.00 4.15 0.00 1.53 2.08 0.00 3.51 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.61 0.00 23 A 8.84 4.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.16 4.31 0.00 3.63 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 V 6.57 3.49 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 0.80 0.00 0.00 -0.37 0.00 0.00 26 M 7.68 4.00 0.00 2.01 2.23 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.79 0.00 27 L 7.84 3.95 0.00 1.91 1.77 1.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.33 3.88 0.00 1.98 2.02 0.00 2.09 0.00 0.00 2.04 0.00 0.00 3.12 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.56 1.52 7.81 29 T 7.99 4.32 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 30 D 9.16 4.27 0.00 2.74 2.73 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 0.00 0.00 0.00 31 R 8.17 3.72 0.00 1.93 1.95 0.00 3.19 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 *35 R 8.38 3.88 0.00 1.71 1.71 0.00 3.25 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 36 N 8.19 4.53 0.00 2.65 2.66 0.00 0.00 7.20 7.89 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 37 H 8.25 4.44 0.00 3.16 3.31 0.00 5.89 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 38 K 8.09 4.60 0.00 1.83 1.75 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.38 7.81 39 R 8.23 4.04 0.00 1.79 1.90 0.00 3.15 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 40 R 8.47 4.55 0.00 1.75 1.82 0.00 3.25 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 41 H 8.42 4.91 0.00 3.15 3.00 0.00 5.93 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.45 4.20 0.00 3.52 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 R 5.85 3.74 0.00 0.67 1.18 0.00 2.50 0.00 0.00 2.89 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.26 0.00 44 R 7.71 3.89 0.00 1.74 1.90 0.00 3.30 0.00 0.00 3.12 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.47 0.00 45 N 7.70 4.97 0.00 2.94 2.74 0.00 0.00 6.67 7.99 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 46 D 8.18 4.66 0.00 2.57 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.36 4.35 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 1.24 0.00 0.00 48 D 8.19 4.60 0.00 2.70 2.65 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 0.00 0.00 0.00 0.00 49 E 8.65 4.16 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.