NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4157 8.2893 120.3260 54.5635 32.6117 174.8486 2 P 4.4650 0.0000 0.0000 60.8279 33.5897 173.9807 3 R 5.0253 8.2770 120.1319 55.9864 31.8835 176.0385 4 L 5.0363 8.9610 126.2407 53.0481 45.1792 174.8632 5 K 4.8229 9.5226 127.5974 54.9273 34.6654 174.7362 6 V 4.5544 8.2611 121.2636 59.4559 34.5202 175.1013 7 K 4.8275 8.5462 125.7464 54.1679 34.9416 174.8935 8 L 4.3037 8.4986 130.5231 55.6147 42.4754 177.2118 9 V 4.0306 8.5008 117.8008 62.3999 34.1402 175.8799 10 K 4.3156 7.9895 120.4482 54.6443 32.8042 176.2216 11 S 4.2637 8.5971 121.2885 57.9309 62.9764 172.2725 12 P 4.4871 0.0000 0.0000 64.4142 31.6659 174.4392 13 I 3.8324 7.1017 119.4708 65.2685 36.3206 175.2633 14 G 3.8772 8.6446 111.7708 45.3484 0.0000 171.7089 15 Y 4.4980 8.3083 117.8516 55.4054 40.0002 174.1838 16 P 4.2666 0.0000 0.0000 63.0672 33.2066 177.4881 17 K 3.9051 8.8673 121.0539 59.7506 31.7788 179.1212 18 D 4.3545 8.0277 117.6018 56.8258 39.5236 178.1982 19 Q 4.1366 8.1238 119.4933 58.3935 28.2948 178.8580 20 K 3.9818 8.3227 119.2521 59.2287 31.8235 178.2227 21 A 4.5044 7.9304 118.2367 52.4257 18.5458 178.1100 22 A 4.4524 8.1176 123.2059 54.0118 20.0443 179.6606 23 L 4.2034 7.5380 115.8986 56.7719 41.6486 179.1039 24 K 4.0019 8.0008 118.5791 59.1294 32.2088 178.1195 25 A 4.2072 7.7966 120.1854 54.1254 18.6471 177.5226 26 L 4.3790 7.3052 114.7792 57.0859 42.2906 177.2056 27 G 3.8234 7.7170 103.9516 46.6213 0.0000 175.9158 28 L 4.7042 7.8863 123.7600 52.9534 42.6772 177.5638 29 R 4.2237 9.4133 130.0140 56.6869 28.4441 181.5773 30 R 4.1830 8.8887 128.4236 56.7665 31.4993 175.5060 31 L 4.3589 8.2951 118.5052 54.9342 42.9829 177.3476 32 Q 3.4634 8.2034 115.8456 56.7714 27.8901 174.0483 33 Q 4.1972 8.0701 120.9420 55.9459 29.9986 174.4389 34 E 5.0715 8.7295 125.6797 54.8767 32.1791 175.5173 35 R 4.5567 8.8606 123.1376 55.1132 33.9525 173.9186 36 V 4.5779 8.4775 120.0783 60.4327 32.6094 175.4027 37 L 4.8285 9.2746 125.6431 52.5153 46.0690 175.8244 38 E 4.2970 8.6382 122.5365 55.4798 30.4068 174.2630 39 D 4.8554 8.0678 128.0488 55.0465 41.7381 175.9114 40 T 4.7467 8.2708 114.5911 59.0654 72.1271 172.9900 41 P 4.1149 0.0000 0.0000 65.8068 31.4349 177.5517 42 A 4.7204 7.8854 117.9235 51.9697 18.7637 177.3233 43 I 4.5196 8.3303 119.2551 61.8041 39.1883 178.3264 44 R 4.1278 8.2646 119.4552 59.1164 30.1333 178.6920 45 G 4.3865 7.6799 105.3381 48.0318 0.0000 175.4267 46 N 4.3810 8.0156 118.0203 56.1001 38.7238 177.5023 47 V 3.5612 7.2105 118.1057 66.0556 31.5527 177.3709 48 E 4.0578 9.2512 117.6491 60.0261 29.6005 178.7228 49 K 3.9109 7.8474 119.0878 60.0697 32.1187 178.8758 50 V 3.6911 8.0526 106.8607 62.7466 31.2130 178.0039 51 A 3.6427 8.2070 119.0835 55.9906 17.8890 179.5231 52 H 3.5716 7.9501 116.2615 57.3887 29.0562 176.3059 53 L 4.2877 7.6526 119.1443 55.1293 42.3410 176.0698 54 V 4.7833 8.2126 118.4103 61.0334 35.0789 174.6729 55 R 4.4947 8.4378 125.2318 54.9137 31.9038 176.6721 56 V 4.3219 8.1337 124.8572 62.7910 34.2537 174.1135 57 E 5.3720 7.3606 125.1748 56.2331 33.6250 176.2173 58 V 4.5343 8.3000 126.6553 61.9732 33.1188 174.9023 59 V 4.2786 8.4159 128.7365 62.6074 35.5809 174.9889 *60 E 4.1603 8.6299 116.1649 56.2763 30.3181 171.3904 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 4.42 0.00 2.25 2.13 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 4.46 0.00 2.19 2.18 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 2.06 2.02 0.00 3 R 8.28 5.03 0.00 2.05 1.87 0.00 3.07 0.00 0.00 3.19 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 4 L 8.96 5.04 0.00 1.69 1.52 1.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 5 K 9.52 4.82 0.00 1.78 1.62 0.00 1.65 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.36 7.81 6 V 8.26 4.55 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 0.62 0.00 0.00 0.95 0.00 0.00 7 K 8.55 4.83 0.00 1.80 1.61 0.00 1.80 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.30 1.33 7.81 8 L 8.50 4.30 0.00 1.72 1.51 0.95 0.97 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 9 V 8.50 4.03 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 0.82 0.00 0.00 0.97 0.00 0.00 10 K 7.99 4.32 0.00 1.69 1.64 0.00 1.86 0.00 0.00 1.65 0.00 0.00 3.17 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.41 7.81 11 S 8.60 4.26 0.00 3.90 3.82 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 0.00 0.00 0.00 12 P 0.00 4.49 0.00 2.32 2.29 0.00 3.82 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.00 0.00 13 I 7.10 3.83 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.43 0.92 0.00 0.00 14 G 8.64 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 15 Y 8.31 4.50 0.00 3.09 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 16 P 0.00 4.27 0.00 2.27 2.06 0.00 3.85 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 2.20 2.25 0.00 17 K 8.87 3.91 0.00 1.85 1.90 0.00 1.58 0.00 0.00 1.88 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.59 7.81 18 D 8.03 4.35 0.00 2.84 2.82 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 0.00 0.00 0.00 19 Q 8.12 4.14 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.93 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 20 K 8.32 3.98 0.00 2.04 1.88 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.38 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.82 7.81 21 A 7.93 4.50 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 22 A 8.12 4.45 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 23 L 7.54 4.20 0.00 1.78 1.86 0.91 0.69 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 24 K 8.00 4.00 0.00 1.73 1.84 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.56 7.81 25 A 7.80 4.21 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 26 L 7.31 4.38 0.00 1.67 1.67 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.72 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.89 4.70 0.00 1.59 1.64 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 29 R 9.41 4.22 0.00 1.89 1.35 0.00 3.33 0.00 0.00 3.22 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 30 R 8.89 4.18 0.00 1.80 1.92 0.00 3.20 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 31 L 8.30 4.36 0.00 1.70 1.59 0.93 1.07 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 32 Q 8.20 3.46 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.84 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 33 Q 8.07 4.20 0.00 2.13 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 34 E 8.73 5.07 0.00 1.87 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 2.21 2.39 0.00 35 R 8.86 4.56 0.00 1.81 1.70 0.00 3.23 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 36 V 8.48 4.58 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 0.75 0.00 0.00 0.93 0.00 0.00 37 L 9.27 4.83 0.00 1.50 1.50 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.64 4.30 0.00 2.09 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 2.37 2.36 0.00 39 D 8.07 4.86 0.00 2.78 2.89 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 40 T 8.27 4.75 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 1.24 0.00 0.00 41 P 0.00 4.11 0.00 2.19 2.18 0.00 3.58 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 2.12 2.12 0.00 42 A 7.89 4.72 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.33 4.52 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 1.29 1.20 0.90 0.00 0.00 44 R 8.26 4.13 0.00 1.84 1.95 0.00 3.21 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.76 0.00 45 G 7.68 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 4.38 0.00 2.81 2.84 0.00 0.00 6.75 7.68 0.00 0.00 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 7.21 3.56 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 0.80 0.00 0.00 0.96 0.00 0.00 48 E 9.25 4.06 0.00 2.17 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 2.49 2.47 0.00 49 K 7.85 3.91 0.00 1.79 1.86 0.00 1.63 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.51 7.81 50 V 8.05 3.69 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 0.74 0.00 0.00 0.99 0.00 0.00 51 A 8.21 3.64 1.28 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 52 H 7.95 3.57 0.00 3.20 3.49 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 7.65 4.29 0.00 1.67 1.70 0.58 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.21 4.78 2.02 0.00 0.00 0.00 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 0.87 0.00 0.00 55 R 8.44 4.49 0.00 1.82 1.81 0.00 3.16 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 56 V 8.13 4.32 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 0.73 0.00 0.00 0.91 0.00 0.00 57 E 7.36 5.37 0.00 2.28 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 2.05 2.00 0.00 58 V 8.30 4.53 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 0.84 0.00 0.00 0.92 0.00 0.00 59 V 8.42 4.28 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 0.81 0.00 0.00 0.96 0.00 0.00 *60 E 8.63 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.