NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.2259 8.4444 121.4697 55.7591 31.0931 173.9732 4 T 4.6126 7.6633 111.2250 59.5899 71.2952 170.9601 5 L 4.7884 9.6347 123.1646 53.2113 45.6396 175.2156 6 C 4.8666 8.4495 120.2596 54.4166 39.7547 176.8104 7 G 3.5519 8.9107 109.9016 46.5305 0.0000 175.9057 8 A 3.9992 8.7104 124.8660 54.9247 17.9439 179.4191 9 E 3.8859 8.0934 116.6410 59.3596 29.5219 179.1637 10 L 3.8414 7.6527 119.9447 58.0164 42.1594 179.2190 11 V 3.2867 7.6169 117.7608 66.0043 31.5032 177.4033 12 D 4.3732 8.1193 118.4268 57.5958 40.6923 178.9433 13 A 3.9523 8.1647 121.1274 55.2652 18.2919 179.7517 14 L 3.7951 7.8797 117.5486 57.8041 41.5276 179.7383 15 Q 4.1564 8.2868 118.5920 58.8237 28.3966 178.6048 16 F 4.0386 7.9177 120.8958 61.1471 39.6021 177.3633 17 V 3.8567 7.9696 116.8998 66.1885 31.7312 176.9607 18 C 4.4969 8.8706 116.5725 57.0557 35.9436 175.2503 19 G 3.5824 8.7466 109.2049 46.3643 0.0000 176.6537 20 D 4.3875 8.8618 122.6498 57.0456 40.7588 177.8294 21 R 3.8652 7.7177 117.3121 57.0483 30.3699 177.6885 22 G 3.7603 9.1225 106.6236 44.9348 0.0000 171.6965 23 F 5.1537 7.0834 111.7844 55.8088 40.3293 172.3395 24 Y 4.9984 7.8987 118.9401 55.7363 41.2611 174.7791 25 F 4.5506 9.1184 116.4389 57.4353 41.2703 175.0891 26 N 5.4766 8.4389 117.4794 51.3235 40.0694 174.8801 27 K 4.5114 8.7593 125.3501 55.4286 33.0556 174.9761 28 P 4.5931 0.0000 0.0000 63.0467 32.0402 175.4507 29 T 4.6787 8.3445 111.4185 59.5316 71.8960 173.6530 30 G 3.9410 8.2728 110.6089 44.6738 0.0000 172.9250 31 Y 4.0887 8.4927 121.7558 58.0373 39.4693 175.5377 32 G 3.6373 7.5516 114.5031 46.5899 0.0000 173.7261 33 S 4.5876 7.7059 118.6891 57.5723 63.2887 172.9179 34 S 4.4845 8.4243 113.5903 58.1399 63.8632 174.7407 35 S 4.3279 7.9986 117.9502 56.0962 63.7947 170.2474 *39 P 4.1385 0.0000 0.0000 62.0174 32.3898 176.1879 40 Q 4.4409 8.6111 124.5428 55.1479 30.4384 174.4162 41 T 4.9558 8.1698 113.2181 59.6326 72.7959 172.9967 42 G 4.5682 7.9653 107.7333 46.2844 0.0000 174.5093 43 I 3.1805 7.2554 118.6573 63.5308 37.7821 179.0161 44 V 3.2704 7.5458 118.8785 66.0688 30.8081 177.6124 45 D 4.3431 7.7299 117.8864 57.3793 40.5124 178.3915 46 E 4.3587 7.6313 118.1848 58.4366 29.8786 176.9854 47 C 4.9883 8.6066 113.8384 55.4814 42.9314 174.7515 48 C 4.6184 7.8325 116.9253 57.4709 44.2788 174.8455 49 F 4.5217 8.1540 117.1193 59.6168 38.3773 175.4355 50 R 4.8151 7.5459 118.8464 53.9241 33.7355 174.4511 51 S 4.5514 8.4083 113.9711 57.7227 64.2410 172.3374 52 C 5.0481 8.3375 116.0502 53.1383 44.8202 173.3517 53 D 4.7734 8.1475 120.5136 51.7524 42.3606 176.8471 54 L 3.9384 8.3633 120.3373 58.7231 41.6170 179.0291 55 R 4.0466 7.9331 115.9990 58.5098 30.3594 178.6611 56 R 4.0300 8.1924 119.1356 59.3197 30.1443 177.9235 57 L 4.0351 7.9228 120.1869 58.4015 42.0614 178.4110 58 E 4.0440 8.3230 118.1057 58.4888 29.4075 177.9094 59 M 4.2051 7.8399 117.2815 57.2873 32.1450 176.7075 60 Y 3.6683 7.7157 116.8097 56.7754 38.4471 174.2857 61 C 4.7750 7.3353 118.5736 56.5632 40.8344 173.7861 62 A 4.6474 8.5383 125.1568 51.2048 18.8559 175.5070 63 P 4.4597 0.0000 0.0000 62.4986 32.3035 176.5810 64 L 4.1880 8.3546 121.3411 54.2097 42.8430 176.0826 65 K 3.5463 8.8893 118.6936 59.6419 31.6180 175.0332 66 P 4.4303 0.0000 0.0000 63.4558 31.5310 176.8517 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 3 E 8.44 4.23 0.00 1.94 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 2.19 2.30 0.00 4 T 7.66 4.61 4.25 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 0.00 0.00 0.00 1.26 0.00 0.00 5 L 9.63 4.79 0.00 1.52 1.45 0.86 0.97 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 6 C 8.45 4.87 0.00 2.81 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 7 G 8.91 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.71 4.00 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 9 E 8.09 3.89 0.00 2.14 1.97 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 2.37 2.35 0.00 10 L 7.65 3.84 0.00 1.84 1.82 0.79 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.62 3.29 2.22 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 1.02 0.00 0.00 1.07 0.00 0.00 12 D 8.12 4.37 0.00 2.91 2.69 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 13 A 8.16 3.95 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 14 L 7.88 3.80 0.00 0.92 0.82 0.21 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.29 4.16 0.00 2.32 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.83 0.00 0.00 0.00 0.00 0.00 2.76 2.59 0.00 16 F 7.92 4.04 0.00 3.15 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 17 V 7.97 3.86 2.21 0.00 0.00 0.00 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 1.06 0.00 0.00 18 C 8.87 4.50 0.00 3.29 3.35 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 19 G 8.75 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.86 4.39 0.00 2.64 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 21 R 7.72 3.87 0.00 1.84 2.17 0.00 3.21 0.00 0.00 3.35 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 22 G 9.12 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 0.00 0.00 0.00 23 F 7.08 5.15 0.00 2.79 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 24 Y 7.90 5.00 0.00 3.09 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 25 F 9.12 4.55 0.00 3.26 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.44 5.48 0.00 2.75 2.86 0.00 0.00 6.87 7.61 0.00 0.00 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 K 8.76 4.51 0.00 2.05 1.82 0.00 1.36 0.00 0.00 0.93 0.00 0.00 2.87 0.00 0.00 2.34 0.00 0.00 0.00 0.00 1.44 1.46 7.81 28 P 0.00 4.59 0.00 1.96 1.91 0.00 3.70 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 29 T 8.34 4.68 4.25 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 0.00 0.00 0.00 1.29 0.00 0.00 30 G 8.27 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 8.49 4.09 0.00 2.98 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 32 G 7.55 3.64 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 0.00 0.00 0.00 33 S 7.71 4.59 0.00 4.08 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.42 4.48 0.00 4.02 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.00 4.33 0.00 3.78 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 *39 P 0.00 4.14 0.00 2.09 2.06 0.00 3.68 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 1.94 2.09 0.00 40 Q 8.61 4.44 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 41 T 8.17 4.96 4.32 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 1.28 0.00 0.00 42 G 7.97 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.26 3.18 0.56 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.07 0.69 0.00 0.00 44 V 7.55 3.27 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.78 0.00 0.00 45 D 7.73 4.34 0.00 2.97 2.80 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 0.00 0.00 0.00 46 E 7.63 4.36 0.00 1.92 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 0.00 2.40 2.54 0.00 47 C 8.61 4.99 0.00 2.90 2.98 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 0.00 0.00 0.00 48 C 7.83 4.62 0.00 2.98 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 49 F 8.15 4.52 0.00 3.20 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 50 R 7.55 4.82 0.00 2.28 1.81 0.00 3.33 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 51 S 8.41 4.55 0.00 3.97 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 C 8.34 5.05 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 53 D 8.15 4.77 0.00 2.96 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 54 L 8.36 3.94 0.00 1.77 1.73 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 55 R 7.93 4.05 0.00 1.82 1.98 0.00 3.49 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 56 R 8.19 4.03 0.00 2.07 2.08 0.00 3.19 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.82 0.00 57 L 7.92 4.04 0.00 1.76 1.77 0.84 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.32 4.04 0.00 2.10 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 2.29 2.34 0.00 59 M 7.84 4.21 0.00 1.79 2.07 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.51 0.00 60 Y 7.72 3.67 0.00 2.96 2.72 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 0.00 0.00 0.00 61 C 7.34 4.77 0.00 2.94 3.02 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 0.00 0.00 0.00 0.00 62 A 8.54 4.65 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 63 P 0.00 4.46 0.00 1.96 2.03 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.18 0.00 64 L 8.35 4.19 0.00 1.64 1.60 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.89 3.55 0.00 1.73 1.66 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.46 7.81 66 P 0.00 4.43 0.00 2.15 2.02 0.00 3.53 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.06 0.00 * Residues marked with a * may have inaccurate shift predictions.