NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.4233 8.4293 120.2263 55.7733 30.0352 173.6256 5 P 4.9199 0.0000 0.0000 63.1288 37.4310 174.0326 6 C 4.6676 7.8512 117.7033 58.6901 32.4493 174.5542 7 V 3.9996 7.3859 114.7462 60.6692 33.3737 172.6133 *9 S 4.4280 8.4837 120.0476 57.9944 64.9851 176.0605 10 L 3.6328 7.7032 120.7782 57.5046 41.0447 179.3905 11 V 3.5882 7.4613 117.0989 65.8797 31.6735 177.8634 12 S 4.2226 7.8317 112.5259 61.3300 63.0239 176.0674 13 Q 4.0970 7.4454 122.0125 58.7074 28.4027 178.5194 14 Y 4.6952 7.0208 116.1811 58.5578 37.7587 178.1391 *16 Q 4.2485 8.0736 120.8874 56.3985 31.2353 177.8860 17 T 3.6916 8.1302 114.7677 66.5663 68.3585 176.9148 18 V 3.7387 7.8580 120.1333 66.2521 31.5633 178.2724 19 T 3.9236 7.7033 115.1106 66.6508 68.2302 176.2496 20 D 4.3366 8.0696 121.0838 57.4515 40.7592 178.4051 21 Y 4.7699 6.9684 118.4459 60.6026 37.8087 178.7454 22 G 3.6748 8.3398 106.7529 47.6315 0.0000 176.0138 23 K 4.0474 8.1019 120.8392 59.3824 31.7843 179.2087 24 D 4.7815 8.3971 120.9937 56.8759 40.8452 178.8437 25 L 4.1471 8.2145 119.6395 57.9398 41.5837 179.3379 26 M 4.1974 8.2623 118.5716 57.9333 31.6768 178.6248 27 E 4.0103 8.2045 119.3262 59.0184 29.5426 178.5919 28 K 4.4494 7.6248 116.6865 56.8876 32.3651 178.6608 29 V 3.9229 7.3511 118.3060 65.2354 32.1795 177.5157 30 K 4.6397 8.5364 119.2191 57.6254 31.8657 179.5517 31 S 4.1310 7.8876 115.1511 60.9804 62.6553 174.7951 32 P 4.3394 0.0000 0.0000 64.6718 31.0872 177.7561 33 E 3.9604 7.8452 118.0396 58.1452 29.0402 178.0077 34 L 4.8118 7.1025 115.6219 55.2517 42.2413 176.0181 35 Q 4.1839 7.7146 119.6712 55.9306 29.8626 175.1875 36 A 4.3766 8.1893 125.2351 52.6898 18.3124 178.0635 37 E 4.0579 7.5629 121.3551 58.7446 31.1600 176.3371 38 A 3.5819 7.3173 119.5989 55.1824 18.9893 179.5772 39 K 4.0000 7.9949 116.5660 59.6167 31.9503 179.5163 40 S 4.5048 7.2822 116.4594 61.0488 63.0363 176.1762 41 Y 4.4226 7.6548 120.2595 60.6615 37.2933 178.2028 42 F 4.9605 8.0453 122.1983 60.8616 39.7572 176.6799 43 E 3.9655 8.1754 118.1522 59.3429 29.1509 179.5071 44 K 4.2272 8.5896 119.0962 58.9000 32.1642 178.5862 45 S 4.6723 8.0205 113.1735 58.6653 63.0211 175.6259 46 K 4.3101 7.6995 122.2890 57.5946 34.4055 177.5211 47 E 4.3278 8.2448 115.6384 56.8368 28.8671 176.9730 48 Q 4.5518 7.7680 117.4564 55.3632 31.1939 177.3660 49 L 4.1809 7.8077 119.2382 58.1123 42.2881 178.6148 50 T 3.7495 7.9123 115.6668 66.1955 68.4388 175.1935 51 P 4.2654 0.0000 0.0000 65.0254 31.1410 178.6199 52 L 4.0436 7.2248 118.9289 58.8102 40.5513 179.1147 53 I 3.9463 7.3663 120.3350 63.8980 37.2863 178.3329 54 K 4.1158 8.2860 119.0620 58.5696 32.0082 179.1151 55 K 4.0295 8.2175 119.8769 58.7849 32.0118 178.4323 56 A 4.3684 7.3666 122.3806 54.1248 17.5953 179.7921 57 G 3.4612 7.8324 104.6156 48.1148 0.0000 175.4735 58 T 4.1414 7.6703 112.6991 63.9516 67.5843 174.9664 59 E 3.7575 7.9019 120.8180 58.2517 29.4558 178.0846 60 L 4.0954 8.3320 119.1322 58.3586 42.3423 179.6220 61 V 3.5366 7.4365 117.7764 66.6051 30.9867 178.2408 62 N 4.2066 7.8259 115.2254 56.2168 38.3621 177.3218 63 F 4.2583 7.4199 119.2576 60.4817 38.9809 177.6056 64 L 3.9989 7.8664 118.6052 57.7462 41.3657 179.5394 65 S 3.9401 7.7327 112.5416 61.7843 62.3497 176.0330 66 Y 4.3121 7.3406 118.2000 60.9900 37.2829 178.5394 67 F 4.6769 8.1310 119.1155 60.5916 39.0118 177.9030 68 V 3.6274 8.0874 118.0815 65.7366 31.2820 178.0045 69 E 4.0036 8.3885 118.4667 59.3783 29.2209 178.6193 70 L 4.5927 7.9609 115.3403 55.3822 41.9414 178.0655 71 G 4.0801 7.5722 104.7100 44.8467 0.0000 174.8329 72 T 4.4267 7.7978 117.0383 65.3766 69.6475 176.6413 73 Q 4.0395 7.6928 118.2749 58.6740 28.8373 176.5378 74 P 4.3554 0.0000 0.0000 65.3253 31.7159 177.6455 75 A 4.1357 7.9346 120.1845 55.1176 18.7059 177.2533 76 T 4.1033 7.6651 115.9900 63.9856 68.4386 174.3387 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 E 8.43 4.42 0.00 1.97 1.99 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 2.21 2.31 0.00 5 P 0.00 4.92 0.00 2.24 2.21 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 6 C 7.85 4.67 0.00 2.96 2.95 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 0.00 0.00 0.00 7 V 7.39 4.00 2.10 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 0.68 0.00 0.00 0.95 0.00 0.00 *9 S 8.48 4.43 0.00 3.98 4.16 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.70 3.63 0.00 1.57 1.43 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.46 3.59 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.97 0.00 0.00 12 S 7.83 4.22 0.00 4.01 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 13 Q 7.45 4.10 0.00 1.89 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.14 0.00 0.00 0.00 0.00 0.00 2.27 2.49 0.00 14 Y 7.02 4.70 0.00 3.12 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 *16 Q 8.07 4.25 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.46 6.90 0.00 0.00 0.00 0.00 0.00 2.31 2.54 0.00 17 T 8.13 3.69 4.35 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 0.92 0.00 0.00 18 V 7.86 3.74 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 1.11 0.00 0.00 1.13 0.00 0.00 19 T 7.70 3.92 4.35 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 1.20 0.00 0.00 20 D 8.07 4.34 0.00 2.51 2.58 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 21 Y 6.97 4.77 0.00 3.26 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 22 G 8.34 3.67 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 0.00 0.00 0.00 23 K 8.10 4.05 0.00 2.04 1.87 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.73 7.81 24 D 8.40 4.78 0.00 2.93 2.78 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 0.00 0.00 0.00 0.00 25 L 8.21 4.15 0.00 1.91 1.73 0.98 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 26 M 8.26 4.20 0.00 2.06 2.29 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.59 0.00 27 E 8.20 4.01 0.00 2.24 2.00 0.00 0.00 0.00 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 2.64 0.00 28 K 7.62 4.45 0.00 1.89 1.86 0.00 1.66 0.00 0.00 1.49 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.50 7.81 29 V 7.35 3.92 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 0.84 0.00 0.00 0.95 0.00 0.00 30 K 8.54 4.64 0.00 1.84 1.83 0.00 1.73 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.49 7.81 31 S 7.89 4.13 0.00 4.08 4.18 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.34 0.00 2.27 2.34 0.00 3.63 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.05 0.00 33 E 7.85 3.96 0.00 2.33 2.03 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 2.32 2.50 0.00 34 L 7.10 4.81 0.00 1.49 1.66 0.98 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 7.71 4.18 0.00 2.24 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.61 0.00 0.00 0.00 0.00 0.00 2.38 2.27 0.00 36 A 8.19 4.38 1.23 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 37 E 7.56 4.06 0.00 2.04 1.74 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 2.15 2.29 0.00 38 A 7.32 3.58 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 39 K 7.99 4.00 0.00 1.79 1.94 0.00 1.66 0.00 0.00 1.89 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.48 7.81 40 S 7.28 4.50 0.00 4.21 4.07 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.65 4.42 0.00 3.24 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.05 4.96 0.00 2.92 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 43 E 8.18 3.97 0.00 2.26 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 2.29 2.62 0.00 44 K 8.59 4.23 0.00 2.02 1.91 0.00 1.87 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.51 1.70 7.81 45 S 8.02 4.67 0.00 4.15 4.28 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 46 K 7.70 4.31 0.00 1.81 1.69 0.00 1.18 0.00 0.00 1.36 0.00 0.00 2.40 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.10 1.18 7.81 47 E 8.24 4.33 0.00 1.96 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 2.32 2.47 0.00 48 Q 7.77 4.55 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.88 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 49 L 7.81 4.18 0.00 1.70 1.78 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.91 3.75 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 51 P 0.00 4.27 0.00 2.15 2.08 0.00 3.58 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 2.29 2.12 0.00 52 L 7.22 4.04 0.00 1.97 1.80 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.37 3.95 1.99 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 1.52 1.54 0.91 0.00 0.00 54 K 8.29 4.12 0.00 1.97 1.84 0.00 1.54 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.47 7.81 55 K 8.22 4.03 0.00 2.02 2.01 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.43 7.81 56 A 7.37 4.37 1.40 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 0.00 0.00 0.00 57 G 7.83 3.46 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 0.00 0.00 0.00 0.00 58 T 7.67 4.14 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 1.24 0.00 0.00 59 E 7.90 3.76 0.00 2.17 1.82 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 2.26 2.52 0.00 60 L 8.33 4.10 0.00 1.82 1.72 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.44 3.54 2.24 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 0.96 0.00 0.00 0.91 0.00 0.00 62 N 7.83 4.21 0.00 2.66 2.73 0.00 0.00 7.12 8.13 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 63 F 7.42 4.26 0.00 3.03 2.32 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 64 L 7.87 4.00 0.00 1.90 1.73 1.07 0.64 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 65 S 7.73 3.94 0.00 3.72 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 66 Y 7.34 4.31 0.00 3.20 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 F 8.13 4.68 0.00 3.29 3.03 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 68 V 8.09 3.63 2.23 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 1.05 0.00 0.00 1.06 0.00 0.00 69 E 8.39 4.00 0.00 2.31 2.04 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 2.30 2.53 0.00 70 L 7.96 4.59 0.00 1.85 1.78 1.17 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 71 G 7.57 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 72 T 7.80 4.43 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 1.22 0.00 0.00 73 Q 7.69 4.04 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.98 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 74 P 0.00 4.36 0.00 2.05 2.13 0.00 3.70 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 2.23 2.10 0.00 75 A 7.93 4.14 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 76 T 7.67 4.10 4.36 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 1.22 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.