NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.2102 8.4293 121.4700 55.2772 29.8818 173.0587 5 P 4.5887 0.0000 0.0000 59.0636 32.9317 175.0974 6 C 4.4384 8.2690 125.3699 59.6238 29.8100 174.8109 7 V 3.8072 7.8466 124.2041 62.8372 31.6022 177.3854 8 E 4.1526 8.0540 119.5784 58.3507 29.2484 178.7193 9 S 4.0542 7.7194 115.5737 61.3207 63.1907 176.3755 10 L 3.6361 7.7066 122.5073 56.8769 40.9504 179.4879 11 V 3.3476 7.3157 118.1633 65.7784 31.4586 178.1114 12 S 4.2383 8.1863 114.2898 61.5941 62.7586 176.5237 13 Q 3.8803 7.5739 121.2847 58.8333 28.1167 178.3191 14 Y 4.2412 7.5715 117.7900 60.6407 37.9267 177.9811 15 F 4.7019 7.5336 117.1670 59.0811 39.3553 177.9167 16 Q 4.1370 8.3225 117.9979 58.4851 28.4437 178.1700 17 T 4.2202 7.4926 118.4370 65.1232 68.6223 177.1615 18 V 3.1779 6.9698 120.3870 65.8760 31.4221 177.9890 19 T 3.9528 7.7914 112.6741 64.9986 67.0067 176.1173 20 D 4.3780 7.4838 120.6600 57.3625 40.7626 178.3019 21 Y 4.7596 7.2772 118.9976 60.6737 37.9159 178.7326 22 G 3.7145 8.2840 106.6661 47.5660 0.0000 175.9640 23 K 4.1296 8.4346 121.1507 59.2131 32.2020 179.2074 24 D 4.5397 8.5072 119.8456 57.4099 40.2929 178.7891 25 L 4.1417 8.0658 119.6089 57.9005 41.5987 179.2122 26 M 4.0970 8.1536 118.2538 58.5207 31.9763 178.1499 27 E 4.0562 8.4322 119.2390 58.9808 29.5302 178.7452 28 K 4.1876 7.9721 116.4725 57.7443 32.3158 178.7555 29 V 3.9551 7.2292 118.7012 65.3403 31.7951 177.8962 30 K 4.3274 8.2030 118.0979 58.4236 31.8397 179.3674 31 S 4.2476 7.7664 114.9418 61.1896 63.0434 174.7890 32 P 4.2994 0.0000 0.0000 63.9909 31.0967 178.2831 33 E 4.0691 8.0308 117.5233 58.3541 30.0455 177.0178 34 L 4.8583 7.2944 117.7484 52.5232 41.7267 174.2066 35 Q 4.3324 7.1448 124.9761 56.3547 36.7849 174.9241 36 A 3.7251 7.1707 123.2122 54.9955 19.4368 178.6687 37 E 4.5000 7.8220 113.0141 56.2642 31.1755 178.2928 38 A 3.5766 7.4958 119.4959 54.9452 18.5857 179.0784 39 K 3.8650 7.1902 116.7928 58.5538 32.3674 179.5218 40 S 4.4868 7.3941 115.3264 60.8107 62.7602 176.0196 41 Y 4.3373 7.4257 120.7769 61.1787 37.3994 178.4498 42 F 4.6935 7.3571 119.6129 60.3614 38.7724 177.1107 43 E 4.1481 8.2963 118.2778 59.2471 28.9236 178.9997 44 K 4.0853 8.3092 120.0414 59.4160 32.3596 179.3701 45 S 3.9780 8.0394 114.6852 61.2887 62.8809 176.4395 46 K 4.1752 7.8703 120.1835 58.2663 31.7529 178.1222 47 E 4.3423 8.0258 116.8153 56.7236 29.4084 177.0656 48 Q 4.5226 7.5560 114.8367 54.4565 31.7814 175.9592 49 L 4.3289 7.4350 118.6476 57.1838 42.7846 177.9486 50 T 4.1818 7.8892 115.6543 65.7107 68.7308 175.2108 51 P 4.4351 0.0000 0.0000 64.5312 31.2069 178.2680 52 L 4.1102 7.8597 117.7193 58.0446 40.9168 178.6055 53 I 4.0521 7.4567 120.4650 63.7912 37.6436 177.8397 54 K 4.1688 8.0261 118.4908 58.3839 31.5572 179.0446 55 K 4.0683 8.2465 119.9484 58.6470 32.1084 178.1752 56 A 4.3531 7.9781 120.6003 54.2900 17.8310 179.7388 57 G 3.4507 7.8419 104.6226 48.2092 0.0000 175.8697 58 T 4.2348 7.7772 113.7552 63.2819 67.5945 173.7795 59 E 4.0005 7.7923 121.0521 58.1769 29.6501 177.1364 60 L 4.1070 6.9885 119.8970 57.8616 42.7011 178.9851 61 V 3.7439 7.8529 116.6890 66.1413 31.0988 177.5191 62 N 4.5617 7.6651 115.3828 53.3166 37.6901 176.9355 *64 L 4.4475 8.0249 120.4058 54.9890 44.0992 179.5203 65 S 4.1357 7.9235 111.9041 61.4950 62.4394 175.6214 66 Y 3.9125 8.1817 118.9728 61.2866 37.0957 178.7415 67 F 4.6018 7.7816 118.0641 60.6045 39.1269 177.8428 68 V 3.7211 7.8781 117.7332 65.8928 31.2426 178.0088 69 E 3.9910 8.3932 118.4383 59.3382 29.1884 178.5950 70 L 4.5413 7.7400 114.9848 55.4525 41.8506 178.1091 71 G 4.0087 7.6224 105.1549 45.6999 0.0000 175.2424 72 T 4.3621 7.9238 116.9588 65.4534 69.1743 177.1017 73 Q 4.1144 7.6150 120.0957 57.9768 28.7721 176.8984 74 P 4.4060 0.0000 0.0000 65.2306 31.6033 178.1208 75 A 4.1535 7.9385 118.8235 55.1011 18.1924 177.2582 76 T 4.0174 7.9312 111.8895 62.0218 68.9572 174.1884 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 4.21 0.00 1.94 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 2.19 2.31 0.00 5 P 0.00 4.59 0.00 2.24 2.01 0.00 3.82 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 1.86 2.01 0.00 6 C 8.27 4.44 0.00 3.00 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 7 V 7.85 3.81 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 0.81 0.00 0.00 0.92 0.00 0.00 8 E 8.05 4.15 0.00 2.02 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 2.41 2.37 0.00 9 S 7.72 4.05 0.00 3.94 4.06 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 10 L 7.71 3.64 0.00 1.56 1.06 0.88 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.32 3.35 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 1.29 0.00 0.00 1.02 0.00 0.00 12 S 8.19 4.24 0.00 4.08 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 13 Q 7.57 3.88 0.00 1.90 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.28 2.48 0.00 14 Y 7.57 4.24 0.00 2.43 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.53 4.70 0.00 3.13 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 16 Q 8.32 4.14 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 17 T 7.49 4.22 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 0.99 0.00 0.00 18 V 6.97 3.18 2.35 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 1.09 0.00 0.00 1.20 0.00 0.00 19 T 7.79 3.95 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 1.23 0.00 0.00 20 D 7.48 4.38 0.00 2.95 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 7.28 4.76 0.00 3.25 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 8.28 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.43 4.13 0.00 2.01 1.89 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.74 7.81 24 D 8.51 4.54 0.00 2.93 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 25 L 8.07 4.14 0.00 1.90 1.73 0.95 0.87 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 26 M 8.15 4.10 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.59 0.00 27 E 8.43 4.06 0.00 2.24 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 2.34 2.61 0.00 28 K 7.97 4.19 0.00 1.91 1.86 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.69 7.81 29 V 7.23 3.96 2.25 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 1.12 0.00 0.00 0.97 0.00 0.00 30 K 8.20 4.33 0.00 1.78 1.88 0.00 1.73 0.00 0.00 1.62 0.00 0.00 3.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.56 7.81 31 S 7.77 4.25 0.00 4.00 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 32 P 0.00 4.30 0.00 2.15 2.09 0.00 3.73 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 33 E 8.03 4.07 0.00 1.99 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 2.33 2.53 0.00 34 L 7.29 4.86 0.00 1.56 1.59 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 7.14 4.33 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.79 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 36 A 7.17 3.73 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.82 4.50 0.00 1.65 1.15 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 2.13 2.05 0.00 38 A 7.50 3.58 1.18 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 0.00 0.00 39 K 7.19 3.86 0.00 2.11 1.90 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.66 1.46 7.81 40 S 7.39 4.49 0.00 3.97 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 41 Y 7.43 4.34 0.00 2.71 2.74 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 0.00 0.00 0.00 42 F 7.36 4.69 0.00 3.25 3.01 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 0.00 0.00 0.00 43 E 8.30 4.15 0.00 2.22 2.13 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 2.46 2.61 0.00 44 K 8.31 4.09 0.00 1.81 1.86 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.66 1.47 7.81 45 S 8.04 3.98 0.00 4.12 4.25 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 46 K 7.87 4.18 0.00 2.07 1.92 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.48 1.69 7.81 47 E 8.03 4.34 0.00 2.09 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 2.36 2.60 0.00 48 Q 7.56 4.52 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.85 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 49 L 7.44 4.33 0.00 2.06 1.84 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.89 4.18 4.25 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 1.22 0.00 0.00 51 P 0.00 4.44 0.00 2.16 2.10 0.00 3.61 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.14 0.00 52 L 7.86 4.11 0.00 1.78 1.80 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.46 4.05 2.02 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 1.64 1.10 0.91 0.00 0.00 54 K 8.03 4.17 0.00 1.87 1.85 0.00 1.55 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.49 7.81 55 K 8.25 4.07 0.00 1.97 2.00 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.42 1.44 7.81 56 A 7.98 4.35 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 57 G 7.84 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.78 4.23 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 1.24 0.00 0.00 59 E 7.79 4.00 0.00 1.94 1.85 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 0.00 2.24 2.23 0.00 60 L 6.99 4.11 0.00 1.81 1.73 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.85 3.74 2.25 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 0.80 0.00 0.00 0.93 0.00 0.00 62 N 7.67 4.56 0.00 2.91 2.70 0.00 0.00 6.94 6.62 0.00 0.00 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 8.02 4.45 0.00 2.04 1.81 1.07 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.92 4.14 0.00 3.98 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 66 Y 8.18 3.91 0.00 2.47 2.74 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 0.00 0.00 0.00 67 F 7.78 4.60 0.00 3.17 3.01 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 0.00 0.00 0.00 68 V 7.88 3.72 2.25 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 1.07 0.00 0.00 1.04 0.00 0.00 69 E 8.39 3.99 0.00 2.16 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 2.29 2.53 0.00 70 L 7.74 4.54 0.00 1.75 1.78 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 71 G 7.62 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 72 T 7.92 4.36 4.25 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 1.22 0.00 0.00 73 Q 7.62 4.11 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.00 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 74 P 0.00 4.41 0.00 2.03 2.11 0.00 3.70 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.15 0.00 75 A 7.94 4.15 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 76 T 7.93 4.02 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 1.27 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.