NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4762 8.2893 120.3259 54.4048 33.4895 176.5388 2 P 4.3774 0.0000 0.0000 61.9048 28.6426 174.1531 3 R 4.2502 8.9115 127.6829 57.5628 32.9971 176.3020 4 L 4.9412 9.1741 119.2571 52.9149 45.6178 176.0035 5 K 4.7026 9.1543 125.3603 55.0097 33.9259 174.8116 6 V 4.6307 8.8120 129.0367 60.9402 33.8843 174.1231 7 K 4.9477 8.3272 128.9293 54.3790 35.1192 174.5536 8 L 4.2995 8.5511 129.7779 55.0521 42.3421 176.9425 9 V 4.5686 9.0379 119.4735 60.7927 33.5505 175.9939 10 K 4.4228 7.7874 121.2738 53.9210 34.3778 175.3903 11 S 4.1142 8.9722 120.7541 58.5691 62.5994 172.4514 12 P 4.4643 0.0000 0.0000 64.0921 31.7557 174.9411 13 I 3.6377 7.3126 120.0117 65.1157 36.6005 175.6485 14 G 3.9197 9.0469 113.6788 45.2995 0.0000 172.3052 15 Y 4.4277 8.3210 118.0209 56.0373 39.6303 174.1381 16 P 4.5232 0.0000 0.0000 61.9773 33.4396 177.6697 17 K 3.8897 8.6988 120.1455 60.0375 31.8784 178.5291 18 D 4.3666 8.2502 118.3254 57.2310 38.9529 178.7651 19 Q 3.5004 8.1502 119.5357 58.0308 28.5626 179.0384 20 K 4.0730 8.0365 119.2473 58.9481 32.0841 179.3195 21 A 3.9598 8.5695 121.4713 54.8851 18.3874 179.1110 22 A 3.9100 8.7959 120.7026 55.7301 18.3391 179.8358 23 L 3.9266 7.7044 116.6962 57.8161 41.4292 179.7098 24 K 3.8856 7.5466 118.5216 59.4535 32.2024 178.3026 25 A 4.1292 8.2832 120.2778 55.2877 18.3700 179.3363 26 L 4.1724 7.7541 116.5407 56.0207 41.7190 178.2810 27 G 3.9889 8.1141 106.5884 45.3611 0.0000 172.8958 28 L 5.2878 7.6631 118.9687 52.6386 41.7993 175.2184 29 R 4.4368 8.3034 121.1837 57.6683 32.7066 176.6127 30 R 4.1541 7.4892 116.5801 55.5504 31.0643 176.7637 31 L 4.0775 8.2423 121.4219 55.9366 42.1509 177.6315 32 Q 3.5581 9.1399 117.7878 56.4389 27.6713 173.4761 33 Q 4.3986 7.4916 119.6269 55.1990 30.2204 174.9220 34 E 4.9034 8.7094 125.7635 56.1740 31.4553 175.9324 35 R 4.4517 8.7296 120.7255 55.6579 34.2679 174.0144 36 V 4.7923 8.5300 120.3567 60.1756 32.6713 175.0611 37 L 4.8497 8.6044 126.1758 52.2636 44.8793 176.3275 38 E 4.1046 8.7831 121.9425 56.9466 30.0430 177.6635 39 D 4.5560 8.7387 124.6853 53.2482 39.8920 175.6062 40 T 4.6509 7.5118 114.3422 58.6987 72.9581 173.4512 41 P 4.2256 0.0000 0.0000 65.4565 30.9136 178.6541 42 A 3.9900 7.6976 119.5166 55.4000 18.2451 179.8716 43 I 3.5570 7.6362 117.4764 64.4553 37.2457 178.2821 44 R 3.9962 8.2980 119.6034 59.5053 29.7456 178.7878 45 G 4.0915 8.0650 103.9962 48.2480 0.0000 175.0469 46 N 4.4658 7.6857 118.6903 55.9525 37.2420 177.5440 47 V 3.5643 7.8361 119.6235 66.1700 31.4243 177.7702 48 E 3.9102 9.0679 119.2607 59.4696 29.1693 179.2618 49 K 3.9622 7.7909 117.9002 58.8474 32.4511 178.2124 50 V 3.9953 6.8952 108.1550 61.0018 31.8337 177.8284 51 A 3.8304 7.6384 125.2356 55.6453 18.2365 180.2223 52 H 4.4549 7.6149 108.0060 57.1567 28.9666 175.4624 53 L 4.5690 8.3032 120.0260 54.6273 43.4066 175.8114 54 V 4.8643 7.6411 117.9320 60.9203 34.9546 174.9961 55 R 4.5049 8.5798 120.5961 54.5787 33.3881 174.6803 56 V 4.4808 8.4107 124.2083 61.3332 33.6164 174.8842 57 E 4.5331 8.6790 127.0098 54.3475 32.6143 174.4297 58 V 4.2576 8.4644 127.9688 62.9623 31.9529 175.1942 59 V 4.3788 8.8511 128.7988 62.3183 35.7048 174.7224 *60 E 4.1603 8.6049 119.3705 56.1994 30.3181 176.8144 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 2.08 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 4.38 0.00 2.25 2.09 0.00 3.79 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 3 R 8.91 4.25 0.00 1.90 1.93 0.00 3.06 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 4 L 9.17 4.94 0.00 1.59 1.50 0.94 1.02 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 5 K 9.15 4.70 0.00 1.78 1.67 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.35 7.81 6 V 8.81 4.63 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 0.85 0.00 0.00 0.91 0.00 0.00 7 K 8.33 4.95 0.00 1.82 1.59 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.33 7.81 8 L 8.55 4.30 0.00 1.77 1.54 0.91 0.74 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 9 V 9.04 4.57 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 0.74 0.00 0.00 0.98 0.00 0.00 10 K 7.79 4.42 0.00 1.64 1.63 0.00 1.87 0.00 0.00 1.69 0.00 0.00 3.14 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.41 7.81 11 S 8.97 4.11 0.00 3.90 3.85 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 0.00 0.00 0.00 12 P 0.00 4.46 0.00 2.32 2.26 0.00 3.82 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.99 0.00 13 I 7.31 3.64 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.83 0.92 0.00 0.00 14 G 9.05 3.92 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 0.00 0.00 0.00 15 Y 8.32 4.43 0.00 3.04 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 4.52 0.00 2.48 2.00 0.00 3.98 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.21 0.00 17 K 8.70 3.89 0.00 1.77 1.91 0.00 1.72 0.00 0.00 1.89 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.50 7.81 18 D 8.25 4.37 0.00 2.88 2.96 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 0.00 0.00 0.00 19 Q 8.15 3.50 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.96 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 20 K 8.04 4.07 0.00 2.01 1.87 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.51 7.81 21 A 8.57 3.96 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 22 A 8.80 3.91 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 23 L 7.70 3.93 0.00 1.84 1.88 0.90 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.55 3.89 0.00 1.69 2.04 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.46 7.81 25 A 8.28 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 26 L 7.75 4.17 0.00 1.63 1.72 0.89 0.79 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 27 G 8.11 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 0.00 0.00 0.00 28 L 7.66 5.29 0.00 1.62 1.62 0.90 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.30 4.44 0.00 1.77 1.87 0.00 3.20 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 1.53 1.61 0.00 30 R 7.49 4.15 0.00 1.87 1.84 0.00 3.13 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 31 L 8.24 4.08 0.00 1.64 1.62 0.93 0.99 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 9.14 3.56 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 33 Q 7.49 4.40 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 34 E 8.71 4.90 0.00 1.89 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 2.28 2.29 0.00 35 R 8.73 4.45 0.00 1.85 1.71 0.00 3.18 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 36 V 8.53 4.79 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 0.76 0.00 0.00 0.93 0.00 0.00 37 L 8.60 4.85 0.00 1.54 1.52 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.78 4.10 0.00 1.82 1.89 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 2.31 2.38 0.00 39 D 8.74 4.56 0.00 2.72 2.62 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 0.00 0.00 0.00 0.00 40 T 7.51 4.65 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 4.23 0.00 2.17 2.13 0.00 3.61 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 2.15 0.00 42 A 7.70 3.99 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 7.64 3.56 1.86 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 1.08 0.90 0.00 0.00 44 R 8.30 4.00 0.00 1.98 2.00 0.00 3.15 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 1.65 1.94 0.00 45 G 8.06 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.69 4.47 0.00 2.75 2.85 0.00 0.00 6.70 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 7.84 3.56 2.14 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 1.00 0.00 0.00 0.99 0.00 0.00 48 E 9.07 3.91 0.00 2.09 1.97 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 2.51 2.46 0.00 49 K 7.79 3.96 0.00 1.87 1.92 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.48 7.81 50 V 6.90 4.00 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 0.66 0.00 0.00 0.95 0.00 0.00 51 A 7.64 3.83 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.61 4.45 0.00 3.21 3.46 0.00 5.69 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 53 L 8.30 4.57 0.00 1.43 1.78 0.66 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.64 4.86 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 0.82 0.00 0.00 0.93 0.00 0.00 55 R 8.58 4.50 0.00 1.76 1.77 0.00 3.16 0.00 0.00 3.09 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 56 V 8.41 4.48 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 0.74 0.00 0.00 0.91 0.00 0.00 57 E 8.68 4.53 0.00 2.06 1.73 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 2.18 2.23 0.00 58 V 8.46 4.26 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 8.85 4.38 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.97 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.