NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3137 8.1076 123.5784 52.3961 19.4443 175.7074 3 T 4.4100 7.9197 112.4494 60.7715 71.7414 172.2379 4 G 3.9087 9.5515 110.1979 45.8236 0.0000 176.9170 5 G 3.4935 7.7509 107.2177 47.7632 0.0000 176.0064 6 L 3.9491 8.2470 121.6172 57.1469 41.5029 179.4371 7 A 4.0456 7.9531 120.5713 55.1443 18.2500 179.4858 8 I 3.6409 7.7788 110.6796 64.2706 37.5856 178.2639 9 I 3.8506 7.4520 120.3707 64.0037 37.0398 177.7802 10 Q 4.1516 8.0412 119.5759 58.6782 30.3254 178.3021 11 S 4.4121 7.8328 114.7407 58.4201 59.9079 174.4472 *14 H 4.4492 7.6385 122.6284 56.2011 30.2167 174.0281 *16 L 4.1158 7.4110 117.5484 53.7167 43.3370 176.6288 17 P 4.4472 0.0000 0.0000 61.7342 33.3285 175.7389 18 P 4.2511 0.0000 0.0000 66.2311 31.3495 179.1967 19 S 4.1619 8.0072 112.1618 61.4713 63.0321 176.1683 20 E 4.1018 8.1121 121.7523 58.8723 29.1943 179.0412 21 R 3.8810 8.1652 119.1914 59.3614 30.3037 178.6378 22 K 3.9639 8.1821 118.2973 59.4700 32.0425 179.3331 23 L 4.0289 7.6354 117.5300 57.8557 41.5699 179.4193 24 A 4.0732 8.2013 120.7255 55.2888 18.2779 179.4559 25 D 4.2941 8.4469 117.7103 57.5236 40.7899 178.4000 26 Y 3.8682 8.0175 119.7714 60.6759 38.6344 177.9870 27 I 3.7921 7.7903 119.4402 64.5216 37.3280 178.1407 28 L 4.0752 7.8965 118.3823 57.7163 41.4753 179.1720 29 A 4.0254 7.7514 119.9463 54.0413 19.6076 177.4890 30 H 4.8266 7.8315 112.8435 53.9135 29.5548 171.9339 31 P 4.4032 0.0000 0.0000 66.0708 31.9641 179.6628 32 H 4.3352 8.0809 113.4454 56.1437 28.2146 176.7988 *34 A 4.5616 8.1441 125.1009 52.3028 20.0947 179.6546 35 I 3.9266 7.6686 107.0444 62.3625 37.9356 176.2677 36 E 4.7407 7.5629 119.6777 56.1718 29.8325 175.7785 37 S 5.0556 7.7340 114.1153 57.5736 66.0354 175.0203 38 T 4.3982 8.8989 114.8182 61.0393 70.8441 176.0946 39 V 2.9991 8.2505 120.1519 66.1221 31.4842 177.5717 40 N 4.5117 7.9250 116.8587 55.7769 38.3719 177.1345 41 E 3.8579 8.1510 119.7961 59.4884 29.6546 179.2765 42 I 3.5669 7.7988 118.9701 63.9111 37.9727 178.0846 43 S 4.0048 8.0886 115.1333 61.1559 62.9255 176.3510 44 A 3.8917 7.7943 124.2646 54.9366 17.9247 179.6037 45 L 3.6692 7.8371 116.4336 57.3806 41.6394 178.7853 46 A 4.2037 7.6688 117.7534 51.1828 19.8429 176.2643 47 N 4.0499 7.5858 115.3950 54.8715 38.3505 172.2211 48 S 4.7715 8.3545 114.8203 56.8755 64.8710 172.5695 49 S 4.7880 8.1579 111.9431 55.9158 67.0465 174.4156 50 D 4.2313 8.4868 121.4206 57.5416 40.4643 178.9424 51 A 3.9637 7.9658 120.4850 55.1195 18.3744 179.3899 52 A 3.8992 8.0107 119.3222 55.0559 18.3618 180.1012 53 V 3.4553 7.5494 116.6517 66.1132 31.3601 178.3510 54 I 3.6918 7.2849 117.7928 64.5467 37.0586 178.2137 55 R 4.0554 7.9816 117.7768 59.0836 30.2004 178.4731 56 L 4.1748 8.3288 120.4342 58.4139 42.0248 179.5540 57 C 4.2844 7.8376 112.5202 61.0989 27.6284 175.6334 *59 S 4.3685 7.9753 118.7183 58.5074 64.2334 174.8095 60 L 4.2102 7.7168 117.0303 54.7742 41.6941 177.4736 61 G 3.8758 8.2252 106.4857 45.8396 0.0000 173.3404 62 L 4.7328 7.6414 118.5626 52.8026 43.1870 177.4014 63 K 4.1202 9.3332 120.8667 57.2412 32.5833 177.9004 64 G 3.9748 7.4251 104.9571 45.2428 0.0000 172.2677 65 F 4.4190 8.4960 120.9180 61.2069 39.7711 177.1211 66 Q 3.9984 8.3295 118.7168 59.0208 28.7614 177.3213 67 D 4.3721 8.1779 115.5102 57.2503 41.6923 176.5575 68 L 4.1301 7.5579 122.5097 55.4329 40.0957 176.8847 *71 R 4.3048 7.8484 120.9319 55.8720 32.8276 178.5298 72 V 3.3539 8.0261 116.9825 65.8891 31.4859 177.6767 73 A 3.9979 8.0331 120.1781 55.3599 17.8589 179.5822 74 G 3.6950 7.8022 103.6392 47.5080 0.0000 175.1647 75 D 4.2981 7.6965 120.7507 57.0095 40.5155 178.8979 76 L 4.0977 7.8618 118.2432 57.4280 41.5917 179.0946 77 A 4.1260 7.8279 120.3697 53.8056 18.8615 178.2816 78 K 4.2347 7.6679 116.9051 55.5408 33.0345 176.2106 79 P 4.2416 0.0000 0.0000 66.1758 31.4656 178.5647 80 T 3.6584 8.0080 113.2054 66.0697 68.3061 174.5654 81 F 4.8803 8.3094 117.0451 56.9579 39.8346 174.6191 82 Q 4.7727 7.9043 119.9136 54.0829 30.7861 176.0812 83 G 3.7705 8.4971 108.7253 45.7895 0.0000 172.8817 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 2 A 8.11 4.31 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 3 T 7.92 4.41 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 1.25 0.00 0.00 4 G 9.55 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 0.00 0.00 0.00 5 G 7.75 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.25 3.95 0.00 1.29 1.62 0.71 0.72 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 7 A 7.95 4.05 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 8 I 7.78 3.64 1.87 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 1.69 0.63 0.94 0.00 0.00 9 I 7.45 3.85 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.67 0.92 0.00 0.00 10 Q 8.04 4.15 0.00 2.10 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.50 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 11 S 7.83 4.41 0.00 4.07 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 *14 H 7.64 4.45 0.00 3.22 3.38 0.00 5.73 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *16 L 7.41 4.12 0.00 1.66 1.65 0.92 1.19 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 17 P 0.00 4.45 0.00 2.15 1.97 0.00 3.78 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 18 P 0.00 4.25 0.00 2.15 2.13 0.00 3.60 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 2.12 2.18 0.00 19 S 8.01 4.16 0.00 4.03 4.11 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 0.00 0.00 0.00 20 E 8.11 4.10 0.00 2.18 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 2.55 2.36 0.00 21 R 8.17 3.88 0.00 2.02 2.03 0.00 3.28 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 22 K 8.18 3.96 0.00 1.86 2.05 0.00 1.72 0.00 0.00 1.91 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.66 7.81 23 L 7.64 4.03 0.00 1.94 1.75 0.88 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.20 4.07 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 25 D 8.45 4.29 0.00 2.90 2.75 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 26 Y 8.02 3.87 0.00 3.22 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 27 I 7.79 3.79 1.94 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.95 0.95 0.00 0.00 28 L 7.90 4.08 0.00 1.58 1.71 0.96 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.75 4.03 1.07 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 0.00 0.00 30 H 7.83 4.83 0.00 2.45 3.09 0.00 5.66 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.40 0.00 2.08 2.30 0.00 3.64 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 32 H 8.08 4.34 0.00 3.31 3.38 0.00 5.84 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *34 A 8.14 4.56 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 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.67 3.93 1.81 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 1.64 0.65 0.92 0.00 0.00 36 E 7.56 4.74 0.00 2.05 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 2.47 2.29 0.00 37 S 7.73 5.06 0.00 4.17 3.87 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 38 T 8.90 4.40 4.27 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 1.25 0.00 0.00 39 V 8.25 3.00 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 0.92 0.00 0.00 0.79 0.00 0.00 40 N 7.93 4.51 0.00 2.77 2.81 0.00 0.00 7.63 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 41 E 8.15 3.86 0.00 2.16 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 2.31 2.29 0.00 42 I 7.80 3.57 1.86 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.21 0.42 0.00 0.00 43 S 8.09 4.00 0.00 3.93 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 44 A 7.79 3.89 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.84 3.67 0.00 0.99 0.25 0.73 0.54 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 46 A 7.67 4.20 1.35 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 0.00 0.00 47 N 7.59 4.05 0.00 2.78 2.79 0.00 0.00 6.82 7.58 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 48 S 8.35 4.77 0.00 3.74 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.16 4.79 0.00 3.99 3.87 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 50 D 8.49 4.23 0.00 2.66 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.97 3.96 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 3.90 1.34 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 0.00 0.00 53 V 7.55 3.46 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 0.56 0.00 0.00 0.78 0.00 0.00 54 I 7.28 3.69 1.99 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.91 0.92 0.00 0.00 55 R 7.98 4.06 0.00 1.89 2.23 0.00 3.17 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 56 L 8.33 4.17 0.00 1.80 1.86 0.94 0.93 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 57 C 7.84 4.28 0.00 3.24 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 *59 S 7.98 4.37 0.00 4.10 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 0.00 60 L 7.72 4.21 0.00 1.78 1.71 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.23 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 0.00 0.00 0.00 62 L 7.64 4.73 0.00 1.79 1.69 0.92 0.70 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 63 K 9.33 4.12 0.00 1.70 1.87 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.60 1.53 7.81 64 G 7.43 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 0.00 0.00 0.00 0.00 65 F 8.50 4.42 0.00 2.92 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 66 Q 8.33 4.00 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 67 D 8.18 4.37 0.00 2.60 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 68 L 7.56 4.13 0.00 1.75 1.59 1.08 0.85 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 *71 R 7.85 4.30 0.00 2.07 2.09 0.00 3.14 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 72 V 8.03 3.35 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 0.97 0.00 0.00 0.86 0.00 0.00 73 A 8.03 4.00 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 74 G 7.80 3.69 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 0.00 0.00 0.00 75 D 7.70 4.30 0.00 2.45 1.54 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 76 L 7.86 4.10 0.00 1.69 1.73 0.73 0.93 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 77 A 7.83 4.13 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 78 K 7.67 4.23 0.00 2.27 1.86 0.00 1.78 0.00 0.00 1.92 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.70 7.81 79 P 0.00 4.24 0.00 2.16 2.12 0.00 3.65 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 2.13 2.15 0.00 80 T 8.01 3.66 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 0.58 0.00 0.00 81 F 8.31 4.88 0.00 3.13 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 82 Q 7.90 4.77 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.53 2.41 0.00 83 G 8.50 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.