NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4508 0.0000 0.0000 62.3897 33.6507 175.2346 2 I 4.7956 8.2246 122.7471 59.2307 40.0904 172.8994 3 A 4.5592 9.2293 131.0004 50.4161 21.2206 174.9331 4 Q 4.8041 8.6753 124.2142 54.5039 30.9190 174.5199 5 I 4.3952 8.9361 128.2961 59.9184 39.4794 174.4603 6 H 5.2115 8.7569 125.1436 54.8040 29.6033 174.8331 7 I 4.6198 8.7466 119.2646 59.1017 41.1026 175.7478 8 R 4.4652 8.6228 124.5918 57.2896 29.9708 175.6720 9 E 4.1879 9.0862 122.7190 55.3223 30.2277 176.7958 10 G 4.5426 7.8282 116.1914 45.6482 0.0000 172.4149 11 R 4.7465 7.9626 117.1858 52.8577 34.3674 176.0822 12 S 4.3429 8.2941 114.4811 58.2297 65.0998 174.7403 13 D 4.4390 8.9070 126.5530 58.5843 40.6365 179.8520 14 E 3.9782 8.1434 117.9467 61.1330 29.6366 180.7273 15 Q 4.1415 8.0181 120.6265 59.0679 29.1610 178.3818 16 K 3.9228 8.1855 119.5799 59.4077 32.0100 178.9486 17 E 3.9256 8.4074 119.7548 59.4640 29.5601 179.0624 18 T 3.8341 8.0290 115.8294 66.3726 68.4533 176.1466 19 L 3.8819 8.1034 122.5081 58.3696 42.0764 178.8604 20 I 3.6571 7.8085 119.4626 64.5458 37.1189 178.3365 21 R 3.8711 7.9262 119.0727 59.4844 29.9431 178.3261 22 E 3.9339 8.6265 118.6642 59.4168 29.4020 179.5686 23 V 3.5571 8.0950 118.5042 66.2053 31.6048 178.1323 24 S 4.1712 8.3081 117.3408 62.3554 62.6592 177.3374 25 E 3.9888 8.3074 120.7561 60.9519 29.4845 181.0576 26 A 4.2496 7.9620 121.8675 55.0748 18.3442 179.7605 27 I 3.6241 8.0806 118.6196 64.4276 37.2489 178.2120 28 S 4.0610 8.1763 113.8701 61.7788 62.2326 176.0665 29 R 3.8443 8.4790 121.4815 59.8542 29.6151 178.6096 30 S 4.2486 8.2113 113.0211 60.5055 63.2891 175.2373 31 L 4.3435 8.0039 120.5385 53.3848 42.3165 175.4479 32 D 4.2919 7.7241 116.9010 55.3661 40.1178 172.7821 33 A 4.8238 7.6020 118.8881 49.1631 21.9715 175.6307 34 P 4.3822 0.0000 0.0000 62.2254 32.3040 177.6325 35 L 3.9714 8.6748 124.1351 58.5359 42.2440 179.1072 36 T 3.8627 8.0479 114.1032 66.5799 68.3869 175.1069 37 S 4.2618 7.7513 113.6501 59.5974 63.5824 174.1457 38 V 4.1203 7.6602 122.6974 62.4576 31.8487 175.3467 39 R 4.7294 8.8761 126.9743 54.2733 33.2976 174.8293 40 V 4.8275 8.4351 122.6684 61.1091 34.2045 174.3718 41 I 4.6284 9.2189 129.0522 59.3567 39.7799 174.3418 42 I 4.8121 8.3778 120.2543 59.3407 39.7543 174.8850 43 T 4.5487 8.8699 123.2391 61.6848 71.1016 173.0964 44 E 4.7641 8.8485 126.2285 55.8875 31.2261 175.9050 45 M 4.6684 9.0669 123.3106 53.2283 34.2461 175.9083 46 A 4.4826 8.8212 129.4357 52.3262 19.3054 178.6212 47 K 3.9286 8.4357 121.6765 57.0874 31.7363 179.3109 48 G 4.2240 7.9270 104.6785 45.9139 0.0000 173.0725 49 H 5.0134 8.4606 114.0044 54.8507 29.8715 173.6010 50 F 5.0916 8.1524 122.3018 56.3253 41.9297 173.4669 51 G 4.3693 8.5156 116.0526 44.3087 0.0000 171.9992 52 I 4.0876 7.5958 122.7941 60.0479 39.1420 175.9708 53 G 3.6305 9.3650 113.7656 46.3371 0.0000 174.1843 54 G 3.8905 7.6215 106.3255 44.9571 0.0000 174.4809 55 E 4.3339 7.5543 118.9998 55.1838 31.0449 175.2128 56 L 4.5058 8.0195 119.1542 54.0348 43.9445 178.0581 57 A 3.8716 8.4273 127.6146 55.9580 18.1635 180.8478 *58 S 4.1842 8.2983 118.0376 65.1458 62.2734 178.6377 59 K 4.2901 8.1066 126.2480 59.3012 31.3957 180.9388 60 V 3.8280 7.8039 117.5468 63.7822 32.0368 177.4707 61 R 4.9818 7.9579 120.5772 57.1037 29.5533 177.0813 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 P 0.00 4.45 0.00 2.08 2.03 0.00 3.50 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 2 I 8.22 4.80 1.86 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 1.27 0.71 0.90 0.00 0.00 3 A 9.23 4.56 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 4 Q 8.68 4.80 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.67 0.00 0.00 0.00 0.00 0.00 2.09 2.27 0.00 5 I 8.94 4.40 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.48 0.87 0.00 0.00 6 H 8.76 5.21 0.00 2.93 3.05 0.00 5.64 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.75 4.62 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.91 0.87 0.00 0.00 8 R 8.62 4.47 0.00 1.62 1.78 0.00 3.26 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 9 E 9.09 4.19 0.00 1.96 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 2.47 2.26 0.00 10 G 7.83 4.54 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 0.00 0.00 0.00 11 R 7.96 4.75 0.00 1.75 1.87 0.00 3.21 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 1.69 1.58 0.00 12 S 8.29 4.34 0.00 4.04 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 13 D 8.91 4.44 0.00 2.73 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 14 E 8.14 3.98 0.00 1.97 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 0.00 2.32 1.94 0.00 15 Q 8.02 4.14 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 16 K 8.19 3.92 0.00 2.08 1.83 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.44 7.81 17 E 8.41 3.93 0.00 2.18 2.11 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 0.00 2.30 2.34 0.00 18 T 8.03 3.83 4.43 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 0.00 0.00 0.00 1.21 0.00 0.00 19 L 8.10 3.88 0.00 1.73 1.88 0.91 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.81 3.66 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.67 0.90 0.00 0.00 21 R 7.93 3.87 0.00 1.89 2.05 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 22 E 8.63 3.93 0.00 2.11 1.98 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 2.51 2.46 0.00 23 V 8.09 3.56 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 1.11 0.00 0.00 0.96 0.00 0.00 24 S 8.31 4.17 0.00 4.13 3.90 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 25 E 8.31 3.99 0.00 1.99 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 2.24 2.19 0.00 26 A 7.96 4.25 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 27 I 8.08 3.62 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.70 0.91 0.00 0.00 28 S 8.18 4.06 0.00 3.88 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 29 R 8.48 3.84 0.00 1.94 2.10 0.00 3.14 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 30 S 8.21 4.25 0.00 4.07 3.98 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 31 L 8.00 4.34 0.00 1.62 1.74 0.92 1.06 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 32 D 7.72 4.29 0.00 2.77 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 33 A 7.60 4.82 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 34 P 0.00 4.38 0.00 2.19 1.98 0.00 3.61 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 2.11 2.07 0.00 35 L 8.67 3.97 0.00 1.67 1.66 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.05 3.86 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 1.21 0.00 0.00 37 S 7.75 4.26 0.00 4.00 3.98 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 38 V 7.66 4.12 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 0.75 0.00 0.00 0.96 0.00 0.00 39 R 8.88 4.73 0.00 1.77 1.76 0.00 3.11 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 40 V 8.44 4.83 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 0.80 0.00 0.00 0.92 0.00 0.00 41 I 9.22 4.63 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.72 0.87 0.00 0.00 42 I 8.38 4.81 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.49 0.89 0.00 0.00 43 T 8.87 4.55 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 1.22 0.00 0.00 44 E 8.85 4.76 0.00 1.84 1.86 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 2.26 2.32 0.00 45 M 9.07 4.67 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 46 A 8.82 4.48 1.13 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 0.00 0.00 47 K 8.44 3.93 0.00 1.83 1.77 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.29 7.81 48 G 7.93 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 0.00 0.00 0.00 0.00 49 H 8.46 5.01 0.00 3.31 3.31 0.00 5.62 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.15 5.09 0.00 2.94 2.88 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 51 G 8.52 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.60 4.09 1.66 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.22 0.83 0.00 0.00 53 G 9.36 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 0.00 0.00 0.00 54 G 7.62 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 0.00 0.00 0.00 55 E 7.55 4.33 0.00 2.11 1.84 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 2.34 2.23 0.00 56 L 8.02 4.51 0.00 1.66 1.55 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.43 3.87 1.14 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 0.00 0.00 *58 S 8.30 4.18 0.00 3.72 3.83 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 59 K 8.11 4.29 0.00 1.85 1.62 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.10 7.81 60 V 7.80 3.83 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 0.81 0.00 0.00 0.87 0.00 0.00 61 R 7.96 4.98 0.00 1.90 2.00 0.00 3.19 0.00 0.00 3.92 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.97 0.00 * Residues marked with a * may have inaccurate shift predictions.