NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 M 4.4439 8.4045 118.7952 53.7767 33.0415 179.5429 *2 V 3.6447 8.9225 114.5302 61.9601 31.7775 175.2378 *3 L 4.7238 8.8302 123.9434 53.3830 44.2269 174.4372 *4 K 4.8645 7.9189 122.0622 55.2397 34.2721 181.7943 *5 T 4.6809 8.2163 116.3570 60.0056 72.8026 170.0650 6 E 4.8323 9.2190 120.8017 55.0904 34.1505 174.5858 7 L 4.8282 8.0628 121.1662 53.7769 45.2936 175.0773 8 C 4.6070 9.1091 127.8109 58.3870 32.4933 174.0108 9 R 4.5731 8.6565 129.4697 55.9330 29.4659 176.8326 10 F 4.7244 7.7075 120.0900 59.0777 47.6855 173.9644 11 S 4.5239 8.5183 113.0345 57.6712 62.8548 176.1271 12 G 4.2118 8.2628 110.0919 46.7666 0.0000 174.7196 13 Q 4.3538 7.9177 117.8299 55.8689 29.6635 176.7347 14 K 4.2443 8.6389 120.7471 57.5703 33.5004 175.9156 15 I 3.9373 8.0993 124.4422 59.8904 38.6997 174.9220 16 Y 4.5373 7.8087 125.4668 57.3847 38.3016 174.4157 17 P 4.2946 0.0000 0.0000 63.0496 32.6406 175.9974 18 G 3.8563 9.2056 108.7513 46.0545 0.0000 172.7851 19 K 4.2900 8.0707 118.3560 55.9285 35.2094 175.0894 20 G 4.0294 8.7851 109.9130 44.8234 0.0000 172.5116 21 I 4.6878 8.4967 118.0130 59.3809 41.4025 175.0037 22 R 4.8484 8.7147 126.5599 54.5760 31.7903 174.4407 23 F 4.7931 8.9119 130.4222 57.4183 40.9454 174.3367 24 I 4.3350 7.8984 127.2283 59.9007 37.9009 175.6753 25 R 3.8911 8.7369 127.9714 54.7609 31.0882 177.1107 26 A 3.9932 8.5014 124.6697 54.4514 18.5591 178.0916 27 D 4.6975 8.0865 113.9985 53.3416 39.6074 177.1685 28 S 4.1295 8.2893 113.8034 59.2116 61.0063 169.1840 29 Q 4.3276 7.7549 119.6813 55.5979 30.0989 175.0671 30 V 4.8320 8.1088 115.7525 59.6028 34.0916 174.9685 31 F 4.5648 9.1110 124.1590 55.3886 42.2295 174.3588 32 L 4.8688 8.1843 122.2445 53.0082 44.1862 175.1544 33 F 5.4670 8.9073 123.2411 55.4908 41.2082 176.7825 34 A 4.0224 9.1408 127.1387 55.0718 18.7471 176.5267 35 N 4.8802 7.5883 110.7337 51.8329 39.8912 175.2360 36 S 4.1753 8.4706 112.8682 60.4515 62.7481 175.0394 37 K 3.9552 7.9941 120.6292 59.6142 31.9943 178.0030 38 C 4.1232 8.2095 117.1211 62.6892 28.1480 176.2465 39 K 3.4325 7.6753 119.5996 58.9410 32.2706 179.1729 40 R 3.7714 7.6086 117.3425 59.5711 29.2929 178.3476 41 Y 4.1475 7.2370 117.0743 60.4122 37.6838 178.0182 42 F 4.2257 7.6859 121.0772 61.9327 39.1139 176.8001 43 H 4.1737 7.6095 113.9556 58.8007 28.5612 177.1290 44 N 4.4854 8.2644 116.9455 54.0634 38.5246 175.4290 45 R 3.8591 7.6292 118.2308 56.8289 27.6318 176.3456 46 L 4.2921 7.8913 118.9317 53.4753 41.6988 177.2663 47 K 3.9993 8.6024 126.2477 55.9403 32.8002 175.7112 48 P 3.9293 0.0000 0.0000 64.3728 31.6320 177.3643 49 A 4.5971 7.6180 119.7731 52.4513 18.8064 177.0946 50 K 4.3574 7.7970 116.9680 56.2107 32.6648 175.5963 51 L 3.5204 7.5843 112.4592 55.3942 38.7500 177.2747 52 T 3.5908 7.8454 110.0845 63.9239 69.1059 175.0869 53 W 4.8806 7.7744 117.3818 57.0636 29.7596 176.4774 54 T 4.2480 8.0195 107.3585 59.8463 70.3109 171.8129 55 A 2.5800 8.2509 126.7077 52.5213 19.3491 178.0724 56 M 4.3032 8.2823 120.6336 53.6302 33.6460 174.0212 57 Y 4.6547 6.8388 126.8197 56.5535 38.2634 178.6943 58 R 4.0477 8.8131 116.5610 55.5527 28.1493 176.1883 59 K 3.7906 7.1804 117.4973 56.8731 32.8358 176.3911 60 Q 3.6525 8.2157 122.0436 56.2117 29.9458 178.7163 *61 H 4.6987 8.5216 126.3824 55.1618 27.7398 172.2981 *62 K 4.6943 7.4941 117.3611 55.2962 39.3807 176.6536 *63 K 4.2166 7.1622 123.7315 55.9259 37.4646 175.3013 *64 D 4.9562 8.4892 117.8777 54.9775 41.8389 171.7486 *65 I 4.6811 7.9505 112.1409 60.1317 39.3058 170.6441 66 H 4.3105 8.8936 121.5206 55.8050 28.8923 174.8752 67 A 4.5535 8.3188 121.2174 52.0427 19.3229 177.5287 68 E 4.0473 8.0753 115.7220 57.5280 31.3789 176.8065 69 A 3.4913 8.7867 125.5376 52.3768 18.1458 178.9097 70 V 3.0693 9.6750 108.3148 64.2915 28.9059 171.8355 71 K 3.6789 7.9301 124.2404 57.2592 30.6777 174.8620 72 K 4.7887 8.6351 131.2481 56.9872 34.8120 174.6823 73 R 3.8229 8.4147 114.2580 58.0050 28.6354 176.2195 *74 R 4.6800 8.0804 115.0187 54.8206 33.4189 178.1287 *75 R 4.3171 8.4938 119.5811 55.5773 30.5044 172.8237 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 8.40 4.44 0.00 2.05 1.05 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 *2 V 8.92 3.64 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 0.83 0.00 0.00 0.93 0.00 0.00 *3 L 8.83 4.72 0.00 1.62 1.55 0.92 0.68 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 *4 K 7.92 4.86 0.00 1.50 1.58 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.25 0.97 7.81 *5 T 8.22 4.68 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 1.21 0.00 0.00 6 E 9.22 4.83 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 2.18 2.33 0.00 7 L 8.06 4.83 0.00 1.55 1.45 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 8 C 9.11 4.61 0.00 3.19 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 9 R 8.66 4.57 0.00 1.92 1.99 0.00 3.13 0.00 0.00 2.92 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 10 F 7.71 4.72 0.00 3.34 3.18 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 11 S 8.52 4.52 0.00 4.42 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 12 G 8.26 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 7.92 4.35 0.00 2.31 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.92 0.00 0.00 0.00 0.00 0.00 2.56 2.41 0.00 14 K 8.64 4.24 0.00 1.73 1.81 0.00 1.59 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.13 7.81 15 I 8.10 3.94 1.80 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 1.24 0.50 0.90 0.00 0.00 16 Y 7.81 4.54 0.00 2.92 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 17 P 0.00 4.29 0.00 2.10 2.10 0.00 4.06 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 2.05 2.14 0.00 18 G 9.21 3.86 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 0.00 0.00 0.00 19 K 8.07 4.29 0.00 1.88 1.76 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.55 7.81 20 G 8.79 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.50 4.69 1.99 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.71 1.00 0.00 0.00 22 R 8.71 4.85 0.00 1.76 1.81 0.00 3.20 0.00 0.00 3.11 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 23 F 8.91 4.79 0.00 3.06 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.90 4.33 1.70 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.91 0.80 0.00 0.00 25 R 8.74 3.89 0.00 1.84 1.95 0.00 3.45 0.00 0.00 3.71 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.80 0.00 26 A 8.50 3.99 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 27 D 8.09 4.70 0.00 2.80 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.29 4.13 0.00 4.04 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 7.75 4.33 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.39 6.86 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 30 V 8.11 4.83 1.98 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 0.64 0.00 0.00 0.81 0.00 0.00 31 F 9.11 4.56 0.00 2.74 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 0.00 0.00 0.00 32 L 8.18 4.87 0.00 1.50 1.60 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.91 5.47 0.00 2.87 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 34 A 9.14 4.02 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.59 4.88 0.00 2.83 2.91 0.00 0.00 5.92 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.47 4.18 0.00 3.83 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 37 K 7.99 3.96 0.00 1.67 1.93 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.38 7.81 38 C 8.21 4.12 0.00 3.04 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 7.68 3.43 0.00 1.73 1.89 0.00 1.46 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.40 7.81 40 R 7.61 3.77 0.00 1.85 2.05 0.00 2.21 0.00 0.00 2.82 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.42 0.00 41 Y 7.24 4.15 0.00 2.82 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 42 F 7.69 4.23 0.00 2.23 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 43 H 7.61 4.17 0.00 3.29 3.24 0.00 5.73 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 8.26 4.49 0.00 2.91 2.92 0.00 0.00 7.21 8.40 0.00 0.00 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 R 7.63 3.86 0.00 1.94 2.18 0.00 3.13 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 46 L 7.89 4.29 0.00 2.03 1.78 0.91 1.07 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 47 K 8.60 4.00 0.00 1.84 1.66 0.00 1.62 0.00 0.00 1.91 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.45 7.81 48 P 0.00 3.93 0.00 1.74 0.49 0.00 3.53 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.05 0.00 49 A 7.62 4.60 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 50 K 7.80 4.36 0.00 1.68 1.81 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.34 7.81 51 L 7.58 3.52 0.00 1.81 1.65 0.68 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.85 3.59 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 53 W 7.77 4.88 0.00 3.49 3.35 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 54 T 8.02 4.25 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 1.15 0.00 0.00 55 A 8.25 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 M 8.28 4.30 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 57 Y 6.84 4.65 0.00 2.87 1.87 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 58 R 8.81 4.05 0.00 1.90 2.04 0.00 3.31 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.63 0.00 59 K 7.18 3.79 0.00 1.64 1.58 0.00 1.45 0.00 0.00 1.52 0.00 0.00 2.81 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.71 0.36 7.81 60 Q 8.22 3.65 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.98 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 *61 H 8.52 4.70 0.00 2.93 2.77 0.00 7.20 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *62 K 7.49 4.69 0.00 1.71 1.53 0.00 1.88 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.26 1.00 7.81 *63 K 7.16 4.22 0.00 1.79 1.66 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.11 0.76 7.81 *64 D 8.49 4.96 0.00 2.69 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.95 4.68 1.87 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 1.41 1.11 0.91 0.00 0.00 66 H 8.89 4.31 0.00 3.10 3.60 0.00 5.85 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.32 4.55 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 68 E 8.08 4.05 0.00 1.96 1.91 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 2.33 2.39 0.00 69 A 8.79 3.49 1.01 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 70 V 9.67 3.07 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 0.94 0.00 0.00 71 K 7.93 3.68 0.00 1.88 1.85 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.44 7.81 72 K 8.64 4.79 0.00 1.78 1.76 0.00 1.95 0.00 0.00 1.63 0.00 0.00 3.15 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.19 1.36 7.81 73 R 8.41 3.82 0.00 1.93 1.98 0.00 3.18 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 *74 R 8.08 4.68 0.00 1.80 1.61 0.00 3.26 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.16 0.00 *75 R 8.49 4.32 0.00 1.76 1.65 0.00 3.26 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.15 0.00 * Residues marked with a * may have inaccurate shift predictions.