NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.1881 8.2601 123.5750 52.4813 19.8482 174.6758 5 A 4.0385 8.2147 120.9289 52.3093 21.4655 174.1808 6 D 4.6148 8.8524 115.4004 55.0563 40.1165 171.8988 7 T 4.6261 7.4270 105.7919 58.2159 71.1957 172.1949 8 P 4.2367 0.0000 0.0000 63.2248 31.7543 175.8227 9 T 4.3773 8.3045 117.2708 60.1652 68.7041 173.6834 10 A 4.3296 8.5342 131.7833 51.9486 19.2452 177.2897 11 C 4.9147 8.5405 119.9537 55.0988 43.4735 174.1390 12 C 4.6603 8.2509 120.5039 55.8209 41.0192 173.6821 13 F 4.6301 8.3343 120.8696 57.1725 40.4269 175.1129 14 S 4.3474 7.3071 113.1179 57.2015 65.2885 173.1582 15 Y 5.0732 7.9965 118.8483 56.0240 40.6450 175.7237 16 T 4.0310 8.7499 119.2910 62.9384 67.8108 173.7085 17 S 4.7580 8.7012 120.2182 57.8957 64.5700 173.9321 18 R 4.4443 7.6110 117.6816 53.8516 31.1418 175.6215 19 Q 2.5200 7.8624 122.4319 55.2542 29.4343 175.4449 20 I 3.7633 6.5500 126.2903 59.8027 37.9952 173.7536 21 P 3.8491 0.0000 0.0000 62.8090 31.5638 176.7066 22 Q 3.5330 8.7662 125.0457 59.0146 28.9531 177.5248 23 N 4.5948 7.8217 111.6929 53.9925 37.5509 175.3058 24 F 4.7933 8.3194 118.8278 59.2398 39.7724 176.0886 25 I 4.3613 7.7184 121.9286 61.3486 37.2468 175.4293 26 A 4.7372 8.6021 126.1661 52.2525 21.4072 175.1858 27 D 4.6899 8.0666 113.6733 54.9108 44.6510 174.0064 28 Y 5.4064 8.5574 117.6298 56.4437 40.7244 173.0527 29 F 4.3145 8.4286 114.5509 55.8904 42.0117 172.5234 30 E 5.0774 8.7188 118.2608 54.7989 31.3771 176.3678 31 T 4.4384 8.5348 113.8722 60.8176 70.3583 174.5033 32 S 4.1195 8.9104 117.6473 58.7899 62.7530 175.6515 33 S 4.2892 8.6011 120.5333 60.9068 62.9368 175.5531 34 Q 4.1083 8.1485 120.1392 58.5504 28.6694 176.1659 35 C 4.5126 7.6597 114.4628 56.8606 40.6084 173.9447 36 S 4.2058 8.4138 115.2404 59.3882 63.4097 174.4116 37 K 4.6825 7.4640 119.5961 53.7570 35.3834 174.2605 38 P 4.4891 0.0000 0.0000 62.9273 32.1629 175.6787 39 G 4.1487 7.7369 104.3336 45.7324 0.0000 172.2867 40 V 4.6168 8.0454 121.0140 60.6913 34.6703 174.2054 41 I 4.6440 7.8096 128.5097 59.5597 39.3573 174.6998 42 F 5.3806 8.9168 125.8140 56.0874 41.5790 174.7233 43 L 5.4628 9.0424 121.9499 53.3941 44.5240 176.3828 44 T 4.9471 8.5231 113.5695 59.9529 71.0135 175.7808 45 K 4.0499 8.9339 121.9386 59.4825 32.0607 178.4095 46 R 4.2485 7.8992 114.5312 55.9798 30.3786 176.9248 47 S 4.2253 8.5229 113.7511 58.6388 61.0197 169.7130 48 R 4.1970 7.7691 119.7825 56.5690 30.9966 175.4892 49 Q 5.2488 8.6697 121.4214 54.3306 31.0385 175.1508 50 V 4.5388 8.7133 123.2400 61.1748 34.9023 173.8042 51 C 5.1015 9.0021 125.2488 56.9290 37.7305 172.4790 52 A 5.2359 9.1465 124.5528 50.0476 23.1862 174.4288 53 D 3.7007 8.1460 118.7653 52.2356 41.7631 175.8749 54 P 4.0508 0.0000 0.0000 65.3184 31.5080 177.7512 55 S 4.1690 7.5535 111.3909 59.5737 63.3483 174.0262 56 E 4.1459 7.7455 123.0356 55.5343 30.2134 176.6028 57 E 3.8590 9.1242 124.9547 59.4392 29.5769 179.2498 58 W 4.3060 8.0626 115.5206 59.1945 27.9072 178.5908 59 V 2.8352 6.2692 112.9180 63.8890 31.0145 178.0596 60 Q 3.9834 7.6213 116.0256 58.7682 28.9390 178.0292 61 K 4.0759 8.2920 121.0265 60.0453 31.9773 178.8732 62 Y 3.9251 8.1159 112.7401 59.0257 37.5128 177.8650 *64 S 4.3607 7.9913 116.9348 58.4981 64.1303 175.7005 65 D 4.4429 8.0252 118.7848 57.1503 40.8965 178.0033 66 L 4.2073 7.7237 118.8797 57.8741 41.7213 178.5007 67 E 4.1665 8.3034 116.1009 58.7652 29.8916 177.4939 68 L 4.6487 7.3705 119.6575 52.7742 41.5301 176.6495 69 S 4.5024 7.7515 117.4046 59.3945 62.2837 177.2292 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 4 A 8.26 4.19 1.25 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 0.00 0.00 0.00 5 A 8.21 4.04 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 6 D 8.85 4.61 0.00 2.81 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 7 T 7.43 4.63 4.22 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 1.19 0.00 0.00 8 P 0.00 4.24 0.00 2.07 2.06 0.00 3.65 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 9 T 8.30 4.38 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 1.21 0.00 0.00 10 A 8.53 4.33 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 11 C 8.54 4.91 0.00 2.71 2.38 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 12 C 8.25 4.66 0.00 2.87 2.86 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 13 F 8.33 4.63 0.00 2.98 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 14 S 7.31 4.35 0.00 3.89 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 15 Y 8.00 5.07 0.00 3.01 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 16 T 8.75 4.03 4.40 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 1.58 0.00 0.00 17 S 8.70 4.76 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.61 4.44 0.00 1.79 1.88 0.00 3.04 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 19 Q 7.86 2.52 0.00 0.93 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.98 0.00 0.00 0.00 0.00 0.00 1.75 1.16 0.00 20 I 6.55 3.76 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.05 1.01 0.00 0.00 21 P 0.00 3.85 0.00 0.49 1.20 0.00 3.43 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.73 0.00 22 Q 8.77 3.53 0.00 1.42 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 7.01 0.00 0.00 0.00 0.00 0.00 2.11 1.69 0.00 23 N 7.82 4.59 0.00 2.93 2.90 0.00 0.00 6.00 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 24 F 8.32 4.79 0.00 3.18 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 25 I 7.72 4.36 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.76 1.10 0.00 0.00 26 A 8.60 4.74 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 27 D 8.07 4.69 0.00 2.88 2.63 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 28 Y 8.56 5.41 0.00 2.59 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 29 F 8.43 4.31 0.00 2.92 2.89 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 30 E 8.72 5.08 0.00 1.91 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 0.00 2.32 2.44 0.00 31 T 8.53 4.44 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 32 S 8.91 4.12 0.00 3.88 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 8.60 4.29 0.00 4.02 3.99 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 34 Q 8.15 4.11 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 35 C 7.66 4.51 0.00 3.01 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 36 S 8.41 4.21 0.00 4.03 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 37 K 7.46 4.68 0.00 1.64 1.79 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.72 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.45 7.81 38 P 0.00 4.49 0.00 2.00 1.95 0.00 3.81 0.00 0.00 3.70 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 39 G 7.74 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.05 4.62 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.72 0.00 0.00 41 I 7.81 4.64 0.59 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.36 0.76 0.00 0.00 42 F 8.92 5.38 0.00 3.13 3.05 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 43 L 9.04 5.46 0.00 1.76 1.66 1.10 0.59 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 44 T 8.52 4.95 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 45 K 8.93 4.05 0.00 1.71 1.94 0.00 1.73 0.00 0.00 1.93 0.00 0.00 3.16 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.51 1.52 7.81 46 R 7.90 4.25 0.00 1.76 1.94 0.00 3.17 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 47 S 8.52 4.23 0.00 4.03 4.10 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.77 4.20 0.00 1.80 1.92 0.00 3.29 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 49 Q 8.67 5.25 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 50 V 8.71 4.54 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 1.17 0.00 0.00 1.06 0.00 0.00 51 C 9.00 5.10 0.00 3.04 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.15 5.24 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 3.70 0.00 2.03 2.36 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 54 P 0.00 4.05 0.00 1.93 1.94 0.00 3.41 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.90 0.00 55 S 7.55 4.17 0.00 3.85 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 56 E 7.75 4.15 0.00 1.94 1.52 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 0.00 2.42 2.21 0.00 57 E 9.12 3.86 0.00 2.03 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 0.00 2.41 2.39 0.00 58 W 8.06 4.31 0.00 3.39 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 59 V 6.27 2.84 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 -0.43 0.00 0.00 0.69 0.00 0.00 60 Q 7.62 3.98 0.00 1.95 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.94 0.00 0.00 0.00 0.00 0.00 2.37 2.27 0.00 61 K 8.29 4.08 0.00 2.02 2.22 0.00 1.81 0.00 0.00 1.93 0.00 0.00 3.13 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.51 1.77 7.81 62 Y 8.12 3.93 0.00 3.15 2.89 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 *64 S 7.99 4.36 0.00 3.86 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.03 4.44 0.00 2.65 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 66 L 7.72 4.21 0.00 1.68 1.91 1.24 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.30 4.17 0.00 2.01 2.09 0.00 0.00 0.00 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 2.42 0.00 68 L 7.37 4.65 0.00 1.66 1.66 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 69 S 7.75 4.50 0.00 4.01 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 * Residues marked with a * may have inaccurate shift predictions.