NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4759 8.2893 120.3260 54.5655 33.4852 176.5328 2 P 4.4861 0.0000 0.0000 61.7357 28.6618 173.9490 3 R 4.2819 8.2110 127.9581 57.0633 32.8060 176.1579 4 L 4.7564 8.7148 121.0976 53.7179 45.5791 174.3187 5 K 4.9597 8.2844 127.8401 54.1901 33.2132 175.7340 6 V 4.6436 8.3137 120.0776 59.3548 35.6895 174.2129 7 K 5.5580 8.8697 126.7269 53.3935 34.3870 174.9496 8 L 4.2573 8.6176 130.0395 55.9288 42.5165 176.8406 9 V 4.2435 8.6375 118.1022 62.0199 34.3454 175.9603 10 K 4.5156 8.1463 120.7634 53.9316 33.8774 175.7454 11 S 4.3358 8.6651 120.7197 58.0869 63.0067 171.9001 12 P 4.9035 0.0000 0.0000 63.4623 31.9885 173.4813 13 I 3.7923 7.1461 121.4456 63.5865 36.5263 173.4605 14 G 3.2763 8.3912 118.3120 45.5453 0.0000 172.0602 15 Y 4.3627 8.1874 118.6716 56.2760 38.9932 173.5896 16 P 4.3215 0.0000 0.0000 62.8210 31.6979 176.7085 17 K 3.7435 8.6474 118.7746 60.3106 32.9629 179.2193 18 D 4.3989 7.8615 117.8422 56.5837 39.9490 179.1783 19 Q 3.9438 8.0166 120.2804 58.4486 28.6459 178.9618 20 K 3.9473 7.9348 117.5744 58.9936 31.8319 178.9500 21 A 4.1302 7.7500 120.7613 55.0706 18.7110 179.0970 22 A 4.1434 7.9509 119.2173 55.8226 18.1877 179.8943 23 L 3.9900 7.8984 116.4047 57.4423 41.4397 179.3425 24 K 3.9873 9.0913 119.6006 58.8220 32.2568 178.0753 25 A 4.3703 7.9368 120.2501 53.7176 18.9650 177.6284 26 L 4.2676 7.3042 119.8964 53.8772 39.8416 176.1677 27 G 3.8851 7.2481 112.7247 46.0207 0.0000 172.7291 28 L 5.6059 7.8496 126.0938 52.7358 43.8794 177.6095 29 R 4.6234 7.7695 132.9333 55.5535 29.5238 178.1707 30 R 3.7103 8.5298 124.6225 56.6257 30.5042 175.6827 31 L 3.8472 8.6357 122.7093 55.9829 42.6077 176.1153 32 Q 3.3728 8.1000 114.0121 56.1393 26.2394 174.0296 33 Q 4.6999 7.5442 119.0329 54.4264 32.1462 174.8316 34 E 4.9957 8.5310 124.7399 54.7225 31.5890 176.0886 35 R 4.2890 7.9934 120.9120 55.7101 32.7939 174.1242 36 V 4.3138 8.4355 121.4220 61.3153 32.5234 176.1426 37 L 4.6036 9.4554 126.0425 52.8288 45.9044 175.1668 38 E 4.1011 9.1482 123.6797 56.7616 29.9976 176.8181 39 D 4.4031 8.3261 124.9033 55.1021 41.7152 175.7996 40 T 4.2524 8.7283 115.8797 59.9505 70.4022 172.2388 41 P 4.1685 0.0000 0.0000 65.3842 31.2138 178.4405 42 A 4.1159 7.9626 119.1530 55.4692 18.0323 179.6708 43 I 3.7383 7.5941 117.7720 64.1764 37.1767 178.8002 44 R 4.0066 9.7187 119.2258 59.3777 30.1691 179.0535 45 G 3.9302 8.8323 106.6002 48.2635 0.0000 175.2344 46 N 4.4773 7.7372 118.0267 55.8177 38.7415 177.6973 47 V 3.5252 7.3787 118.4000 66.1525 31.4092 177.6412 48 E 3.9829 8.2185 117.3521 59.8311 29.3316 179.0888 49 K 4.0466 7.3623 117.6029 59.3635 32.5025 179.1210 50 V 3.3061 8.6669 112.6150 62.3462 31.5791 181.2842 51 A 3.0784 9.1404 115.9495 51.5110 19.9833 178.1560 52 H 3.9077 8.8566 120.7766 56.6964 29.7669 176.4068 53 L 4.4019 8.6536 120.6773 54.9751 42.5668 175.8475 54 V 4.8811 8.2555 117.5785 60.9549 35.3773 174.5262 55 R 4.4622 8.8487 125.2482 53.9122 31.4505 175.2556 56 V 4.6196 8.1959 133.8009 63.4504 33.3765 174.6186 57 E 4.8768 8.6686 116.5117 54.0706 30.1821 174.9107 58 V 4.4064 7.9149 122.1282 61.3491 34.5420 174.7036 59 V 4.1670 7.6583 125.3044 62.7923 34.5947 174.6360 *60 E 4.1630 8.6018 115.7654 56.2218 30.2635 171.5662 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 M 8.29 4.48 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 2 P 0.00 4.49 0.00 2.19 2.21 0.00 3.73 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 2.07 2.06 0.00 3 R 8.21 4.28 0.00 1.93 1.95 0.00 3.09 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.83 0.00 4 L 8.71 4.76 0.00 1.70 1.45 0.96 0.64 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 5 K 8.28 4.96 0.00 1.79 1.68 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.71 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.23 7.81 6 V 8.31 4.64 2.06 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 0.77 0.00 0.00 0.97 0.00 0.00 7 K 8.87 5.56 0.00 1.77 1.64 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.81 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.18 7.81 8 L 8.62 4.26 0.00 1.76 1.53 0.92 0.95 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 9 V 8.64 4.24 2.08 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 0.82 0.00 0.00 0.93 0.00 0.00 10 K 8.15 4.52 0.00 1.66 1.68 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.16 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.40 7.81 11 S 8.67 4.34 0.00 3.91 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.90 0.00 2.36 2.33 0.00 3.84 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 2.08 2.01 0.00 13 I 7.15 3.79 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.82 0.91 0.00 0.00 14 G 8.39 3.28 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 0.00 0.00 0.00 15 Y 8.19 4.36 0.00 2.98 2.93 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 0.00 0.00 0.00 16 P 0.00 4.32 0.00 2.43 2.02 0.00 3.84 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 2.20 2.19 0.00 17 K 8.65 3.74 0.00 1.79 1.83 0.00 1.73 0.00 0.00 1.89 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.43 7.81 18 D 7.86 4.40 0.00 2.89 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 19 Q 8.02 3.94 0.00 2.41 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 20 K 7.93 3.95 0.00 1.87 1.93 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.21 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.83 7.81 21 A 7.75 4.13 1.37 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 22 A 7.95 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 23 L 7.90 3.99 0.00 1.90 1.72 0.92 0.62 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 24 K 9.09 3.99 0.00 1.76 2.01 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.45 7.81 25 A 7.94 4.37 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 26 L 7.30 4.27 0.00 1.75 1.68 0.90 0.75 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 27 G 7.25 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 28 L 7.85 5.61 0.00 1.68 1.55 0.90 1.33 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 29 R 7.77 4.62 0.00 1.80 1.50 0.00 3.25 0.00 0.00 3.22 7.58 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 R 8.53 3.71 0.00 1.80 1.89 0.00 3.25 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 31 L 8.64 3.85 0.00 1.60 1.66 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.10 3.37 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.47 0.00 0.00 0.00 0.00 0.00 2.30 2.23 0.00 33 Q 7.54 4.70 0.00 2.42 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.87 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 34 E 8.53 5.00 0.00 1.86 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 2.24 2.18 0.00 35 R 7.99 4.29 0.00 1.84 1.74 0.00 3.39 0.00 0.00 3.33 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 36 V 8.44 4.31 2.08 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 0.73 0.00 0.00 0.93 0.00 0.00 37 L 9.46 4.60 0.00 1.49 1.50 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 38 E 9.15 4.10 0.00 1.82 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 2.32 2.40 0.00 39 D 8.33 4.40 0.00 2.77 2.60 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 40 T 8.73 4.25 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 41 P 0.00 4.17 0.00 2.20 2.06 0.00 3.65 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 2.20 0.00 42 A 7.96 4.12 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 43 I 7.59 3.74 1.95 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 1.63 1.38 0.90 0.00 0.00 44 R 9.72 4.01 0.00 1.99 1.96 0.00 3.21 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.82 0.00 45 G 8.83 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 46 N 7.74 4.48 0.00 2.68 2.84 0.00 0.00 6.59 7.56 0.00 0.00 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 V 7.38 3.53 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 0.98 0.00 0.00 1.01 0.00 0.00 48 E 8.22 3.98 0.00 2.12 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 2.41 2.47 0.00 49 K 7.36 4.05 0.00 1.96 1.87 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.46 7.81 50 V 8.67 3.31 1.94 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 0.71 0.00 0.00 0.97 0.00 0.00 51 A 9.14 3.08 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 52 H 8.86 3.91 0.00 3.20 3.46 0.00 5.71 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.65 4.40 0.00 1.48 1.75 0.57 0.41 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 54 V 8.26 4.88 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 0.75 0.00 0.00 0.89 0.00 0.00 55 R 8.85 4.46 0.00 1.85 1.75 0.00 3.14 0.00 0.00 3.09 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 56 V 8.20 4.62 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 0.78 0.00 0.00 0.91 0.00 0.00 57 E 8.67 4.88 0.00 2.11 2.08 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 2.18 2.10 0.00 58 V 7.91 4.41 2.08 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 0.90 0.00 0.00 0.92 0.00 0.00 59 V 7.66 4.17 2.08 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 0.72 0.00 0.00 0.93 0.00 0.00 *60 E 8.60 4.16 0.00 1.77 1.75 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.