NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 L 4.4751 8.0276 120.5767 54.9299 43.9106 174.8548 10 N 5.2059 9.2167 117.2349 51.3496 39.6837 172.8572 11 R 4.6431 9.3994 117.9263 56.1718 31.8090 179.8000 12 I 3.7739 8.5019 123.1556 64.4152 37.0199 178.1327 13 K 3.9839 8.0501 120.0038 59.4533 32.0537 178.9478 14 V 3.5876 7.7023 118.0306 66.0372 31.5276 178.0647 15 V 3.5858 7.9591 118.0392 65.8076 31.3304 177.6650 16 L 3.9813 8.3790 119.0705 58.0429 41.5869 179.5396 17 A 3.9855 7.8781 119.8015 55.2724 18.1161 179.5603 18 E 3.9645 8.2123 116.1247 59.0652 29.6050 178.7882 19 K 4.2129 8.1034 115.7756 55.1725 33.3324 176.5637 20 Q 3.4212 7.7522 117.3108 57.2817 26.4737 173.2599 21 R 4.4859 8.0888 114.6021 53.9715 34.6172 176.1352 22 T 4.6874 8.0405 109.8628 59.9062 72.5462 175.1509 23 N 4.3388 8.6594 118.9878 56.6499 38.4901 177.4613 24 R 3.8627 8.0441 119.3647 59.1888 30.1395 178.1031 25 W 4.0602 8.2632 128.0714 60.4177 30.5045 177.6846 26 L 3.6169 8.0519 118.7540 57.9322 41.8944 178.3201 27 A 3.9928 8.1810 121.0028 55.2465 18.0823 179.4326 28 E 3.8668 7.9169 115.7440 59.4916 29.5528 180.5367 29 Q 3.9425 7.2951 114.2285 55.9989 28.5982 177.0124 *31 G 3.7541 7.9679 107.0025 45.5111 0.0000 173.3027 32 K 4.5944 7.6790 117.7531 53.3406 35.4672 177.1216 33 S 4.2810 8.0135 115.1553 58.1833 65.0405 174.9427 34 E 3.8181 8.5608 123.5602 59.1825 29.3510 178.6230 35 N 4.2510 7.9224 118.1595 56.2798 39.0383 176.5191 36 T 3.5623 7.6123 116.8844 66.7691 68.4530 176.5611 37 I 3.1235 6.9581 121.6260 64.1033 36.9344 178.6375 38 S 4.1332 8.2576 115.5227 61.6442 62.7378 176.8780 39 R 4.0799 8.1516 121.7471 58.5952 29.7340 179.0299 40 W 5.0073 8.0687 120.2573 59.6710 28.8599 178.3154 41 C 4.2888 8.3745 116.2027 62.6197 27.7083 175.5231 42 S 4.4476 8.1870 112.6639 57.9234 63.0018 173.8208 43 N 4.3332 8.0560 118.4934 54.5586 36.4778 175.6610 44 K 4.2083 8.1941 120.3150 58.6421 32.6918 176.9883 45 S 4.8303 7.8200 111.5495 56.8960 66.2569 172.3516 46 Q 4.5462 8.2959 118.3293 53.0702 32.1006 173.9094 47 P 3.7477 0.0000 0.0000 61.8632 31.9278 176.2797 48 S 4.3303 8.0018 114.3716 57.6994 64.1079 174.2937 49 L 4.0552 8.4124 120.9827 58.0020 41.6447 180.1111 50 D 4.3519 7.8395 116.9361 53.3682 38.8874 177.8533 *52 L 4.0525 8.0853 123.3490 56.0290 44.0253 178.6484 53 V 3.5615 7.7883 117.7238 65.9191 31.3385 177.9543 54 K 4.1057 8.0264 119.3004 59.4490 32.0611 178.8523 55 V 3.6526 7.8689 117.8717 66.0502 31.4552 177.6670 56 A 4.0482 8.2811 120.5764 55.1730 18.2764 179.3953 57 E 3.9477 8.3927 117.1217 59.7495 29.3702 179.7144 58 L 4.2339 8.0314 117.6373 57.2722 41.7884 178.6010 59 L 4.4446 8.0493 116.0760 53.6134 42.4279 175.9933 60 N 4.2591 8.0048 114.9764 54.7159 36.4841 174.1488 61 V 4.5537 7.7339 108.7017 58.9135 35.8642 175.6671 62 D 4.4536 8.4650 121.3623 53.5664 41.6789 175.5725 63 P 4.2697 0.0000 0.0000 65.8826 30.9936 178.6525 64 R 3.8753 8.3879 115.5578 59.4223 28.8944 178.3140 65 Q 4.1877 8.0635 117.0933 57.4973 29.0053 177.1952 66 L 4.4453 8.0148 119.8160 53.7045 42.0838 175.6055 67 I 4.8447 7.0699 119.9948 59.3438 39.5786 175.1901 68 N 4.5535 8.8763 122.4566 53.7283 38.8982 173.8810 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 9 L 8.03 4.48 0.00 1.62 1.92 0.93 0.24 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 10 N 9.22 5.21 0.00 2.84 2.69 0.00 0.00 6.84 6.78 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 11 R 9.40 4.64 0.00 1.95 1.94 0.00 3.13 0.00 0.00 3.40 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 12 I 8.50 3.77 2.10 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 1.48 0.75 1.07 0.00 0.00 13 K 8.05 3.98 0.00 2.03 1.84 0.00 1.74 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.53 7.81 14 V 7.70 3.59 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 1.06 0.00 0.00 0.95 0.00 0.00 15 V 7.96 3.59 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.99 0.00 0.00 16 L 8.38 3.98 0.00 1.98 1.92 1.05 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 17 A 7.88 3.99 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 18 E 8.21 3.96 0.00 2.08 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 2.34 2.51 0.00 19 K 8.10 4.21 0.00 1.74 1.75 0.00 1.84 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.77 7.81 20 Q 7.75 3.42 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.69 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 21 R 8.09 4.49 0.00 1.68 1.68 0.00 2.21 0.00 0.00 2.50 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.19 0.00 22 T 8.04 4.69 4.30 0.00 0.00 0.00 0.00 0.00 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 23 N 8.66 4.34 0.00 2.77 2.92 0.00 0.00 6.44 7.66 0.00 0.00 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 R 8.04 3.86 0.00 1.90 1.99 0.00 3.26 0.00 0.00 3.59 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 25 W 8.26 4.06 0.00 3.49 3.42 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 0.00 26 L 8.05 3.62 0.00 1.95 1.92 1.01 1.35 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 27 A 8.18 3.99 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 28 E 7.92 3.87 0.00 1.89 1.89 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 2.28 2.41 0.00 29 Q 7.30 3.94 0.00 1.46 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.23 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 *31 G 7.97 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 32 K 7.68 4.59 0.00 1.51 1.46 0.00 1.60 0.00 0.00 1.68 0.00 0.00 3.13 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.31 1.28 7.81 33 S 8.01 4.28 0.00 3.96 3.91 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 0.00 0.00 0.00 34 E 8.56 3.82 0.00 2.00 1.93 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 2.33 2.33 0.00 35 N 7.92 4.25 0.00 2.81 2.72 0.00 0.00 7.68 7.22 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 36 T 7.61 3.56 3.97 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 0.50 0.00 0.00 37 I 6.96 3.12 1.84 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.88 0.92 0.00 0.00 38 S 8.26 4.13 0.00 4.01 4.17 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 0.00 0.00 0.00 39 R 8.15 4.08 0.00 1.98 2.08 0.00 3.12 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 40 W 8.07 5.01 0.00 3.57 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 41 C 8.37 4.29 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 42 S 8.19 4.45 0.00 4.05 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 43 N 8.06 4.33 0.00 2.93 2.96 0.00 0.00 6.97 7.13 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 44 K 8.19 4.21 0.00 1.82 1.90 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.41 7.81 45 S 7.82 4.83 0.00 4.09 4.02 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 46 Q 8.30 4.55 0.00 1.93 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.06 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 47 P 0.00 3.75 0.00 1.41 0.49 0.00 3.31 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.22 0.00 48 S 8.00 4.33 0.00 3.96 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 49 L 8.41 4.06 0.00 1.69 1.72 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 50 D 7.84 4.35 0.00 2.81 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 *52 L 8.09 4.05 0.00 1.76 1.80 0.76 0.75 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 53 V 7.79 3.56 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 0.94 0.00 0.00 0.97 0.00 0.00 54 K 8.03 4.11 0.00 1.88 1.82 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.60 7.81 55 V 7.87 3.65 2.27 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 1.12 0.00 0.00 1.11 0.00 0.00 56 A 8.28 4.05 1.42 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 0.00 0.00 0.00 57 E 8.39 3.95 0.00 2.22 2.05 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 2.35 2.50 0.00 58 L 8.03 4.23 0.00 1.93 2.00 0.80 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.05 4.44 0.00 1.70 1.76 1.03 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 60 N 8.00 4.26 0.00 2.90 2.91 0.00 0.00 6.70 7.85 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 61 V 7.73 4.55 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 0.69 0.00 0.00 1.01 0.00 0.00 62 D 8.46 4.45 0.00 2.68 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 63 P 0.00 4.27 0.00 2.28 2.29 0.00 3.76 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 64 R 8.39 3.88 0.00 2.05 2.31 0.00 2.96 0.00 0.00 3.33 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.73 0.00 65 Q 8.06 4.19 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.95 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 66 L 8.01 4.45 0.00 1.76 1.66 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.07 4.84 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.56 0.89 0.00 0.00 68 N 8.88 4.55 0.00 2.58 2.63 0.00 0.00 7.05 7.11 0.00 0.00 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.