NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4604 8.1633 118.3239 55.2435 33.4800 173.8458 2 Q 4.7512 8.2243 118.8698 53.1019 30.8014 173.2663 3 I 4.5446 8.9821 116.5990 58.9938 42.2066 173.5599 4 F 5.4426 8.6638 120.8145 55.6850 42.4746 174.7821 5 V 4.7213 9.3217 122.9536 61.1462 34.0340 173.9968 6 K 5.0492 9.2060 130.4294 55.2252 34.5940 175.7036 7 T 4.8684 8.6460 117.2458 59.9988 71.7341 174.8914 8 L 4.3790 8.5656 119.5450 55.8547 41.7453 177.7211 9 T 4.2908 7.7460 108.3937 61.0975 68.9107 175.8928 10 G 3.9089 8.0164 109.7222 45.4313 0.0000 173.8423 11 K 4.2592 7.4588 121.8967 56.3530 33.5331 175.5888 12 T 5.0859 8.4458 122.9527 61.8854 71.2048 173.2680 13 I 4.4137 8.8596 127.7405 60.2646 39.0938 174.7858 14 T 4.9842 8.5925 123.8264 62.3430 70.0198 174.2007 15 L 4.7992 8.7284 125.4640 52.8153 45.8752 175.0224 16 E 4.8796 8.6745 123.2508 55.0902 30.5932 175.1889 17 V 4.7300 8.7284 119.6862 60.0115 36.6018 174.2319 18 E 4.7135 9.4099 120.2138 54.0003 32.8409 176.0726 19 P 4.1953 0.0000 0.0000 65.8155 31.5515 178.4862 20 S 4.4058 7.9290 109.3816 59.2164 63.3058 174.0301 21 D 4.4822 8.1184 123.2090 54.5181 41.3516 176.1369 22 T 4.6922 8.2103 113.4838 61.3211 71.3110 175.8916 23 I 3.7387 8.7229 124.2507 64.5643 37.1568 178.5984 24 E 3.9787 8.3430 118.5256 59.5842 29.3474 178.8732 25 N 4.3334 8.0409 117.5600 56.1529 39.0134 177.1469 26 V 3.5570 7.8133 119.8622 65.9158 31.5704 178.0074 27 K 4.3964 8.4446 119.3452 58.8528 31.8801 179.0341 28 A 3.9751 7.9768 120.7867 55.1676 18.3116 179.7935 29 K 3.9217 7.9671 116.7802 59.6927 32.0184 179.7038 30 I 3.7074 7.8815 120.0469 64.3210 36.9622 178.1478 31 Q 4.2305 8.2086 121.9399 58.7848 28.6146 178.2157 32 D 4.3384 7.9668 118.7501 57.3859 40.9390 178.5968 33 K 4.2215 7.9258 117.8246 58.2407 32.3173 177.6231 34 E 4.4944 8.3604 115.3732 55.0424 31.2816 176.9124 35 G 3.8849 8.3746 106.9039 45.5685 0.0000 173.3494 36 I 4.1290 7.3736 121.3308 59.2236 38.0493 173.7098 37 P 4.4448 0.0000 0.0000 61.8848 32.0917 175.5294 38 P 4.2240 0.0000 0.0000 65.7994 31.3697 178.0226 39 D 4.5009 8.0441 115.4165 55.1867 39.7048 176.6144 40 Q 4.3991 8.2545 118.7377 55.9407 29.5457 174.4273 41 Q 4.8125 7.9557 118.9319 54.3550 31.0431 174.7907 42 R 4.8002 8.9461 122.7786 54.4739 33.1988 174.6372 43 L 5.1095 8.4779 123.9683 53.3615 44.3782 175.6650 44 I 5.1273 8.7184 122.8865 59.6998 41.4410 174.4785 45 F 4.9443 9.1403 127.2301 57.2997 43.1242 174.0486 46 A 3.6055 8.6328 129.1255 53.2590 15.6758 177.7693 47 G 3.9471 8.2721 106.8210 45.8515 0.0000 173.6048 48 K 4.6495 7.6530 118.6721 54.2073 35.1417 175.3853 49 Q 4.6212 8.5369 122.0389 55.8251 29.5102 175.5256 50 L 4.1200 8.5826 124.3733 53.9668 43.0091 176.0921 51 E 4.5156 9.2900 123.3580 55.1657 31.0615 177.0476 52 D 4.3494 9.1229 124.2920 57.6495 41.0329 178.5596 53 G 3.8448 8.0286 104.0635 46.2202 0.0000 173.4953 54 R 4.4713 7.9860 120.2535 55.2171 31.6212 175.3695 55 T 5.0543 8.4703 109.8169 59.5925 71.3975 174.6909 56 L 4.1942 8.5658 122.6557 58.0843 42.0292 180.3496 57 S 4.1590 8.3754 113.2389 61.2309 63.0830 176.0884 58 D 4.2354 7.7065 120.1570 56.8362 39.5577 176.8340 59 Y 4.6073 7.9776 114.5196 57.0290 38.1794 175.4507 60 N 4.4095 8.0493 116.9652 54.4331 37.9838 173.9023 61 I 3.3153 7.0248 117.7977 60.5587 37.5485 175.4605 62 Q 4.6411 8.6461 124.6038 53.3201 32.3461 174.2636 63 K 4.0876 8.4730 119.5715 58.3037 32.3649 176.3059 64 E 3.7647 9.2534 124.3577 57.2868 27.7763 174.7396 65 S 4.5118 7.9432 115.3651 59.0706 64.1763 173.3741 66 T 5.1570 8.7711 119.8087 62.1371 70.2595 174.1840 67 L 4.9736 9.0149 127.0448 54.1771 44.2841 175.3078 68 H 5.4374 8.9428 116.9641 54.0944 32.2692 173.2996 69 L 5.1735 8.5954 122.2675 53.4237 44.5000 175.7570 70 V 4.5183 8.8766 126.1982 61.0956 34.4984 174.0481 71 L 5.1337 8.3428 126.4248 53.1301 43.4081 176.6086 72 R 4.1160 8.6658 122.7801 56.3086 30.5930 176.5942 73 L 4.2146 8.5132 125.7030 54.5783 43.0118 177.7370 *74 R 4.1415 8.3980 119.1106 56.5683 30.0397 174.8898 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 8.16 4.46 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.66 0.00 2 Q 8.22 4.75 0.00 1.93 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.74 0.00 0.00 0.00 0.00 0.00 2.26 2.46 0.00 3 I 8.98 4.54 1.80 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.99 0.77 0.00 0.00 4 F 8.66 5.44 0.00 3.05 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 5 V 9.32 4.72 2.11 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 0.89 0.00 0.00 0.93 0.00 0.00 6 K 9.21 5.05 0.00 1.73 1.31 0.00 1.58 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.33 7.81 7 T 8.65 4.87 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 8 L 8.57 4.38 0.00 1.67 1.76 0.93 0.83 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 9 T 7.75 4.29 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 1.22 0.00 0.00 10 G 8.02 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.46 4.26 0.00 1.83 1.68 0.00 1.58 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.43 7.81 12 T 8.45 5.09 4.22 0.00 0.00 0.00 0.00 0.00 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 13 I 8.86 4.41 1.90 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 1.37 1.24 0.98 0.00 0.00 14 T 8.59 4.98 4.31 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 1.19 0.00 0.00 15 L 8.73 4.80 0.00 1.44 1.45 0.89 0.76 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 16 E 8.67 4.88 0.00 1.91 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 2.19 2.35 0.00 17 V 8.73 4.73 2.11 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 0.68 0.00 0.00 0.88 0.00 0.00 18 E 9.41 4.71 0.00 1.93 1.77 0.00 0.00 0.00 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 2.37 0.00 19 P 0.00 4.20 0.00 2.15 2.07 0.00 3.57 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 2.09 2.05 0.00 20 S 7.93 4.41 0.00 3.96 3.97 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 21 D 8.12 4.48 0.00 2.80 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.21 4.69 4.45 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 1.26 0.00 0.00 23 I 8.72 3.74 2.17 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 1.99 1.30 0.91 0.00 0.00 24 E 8.34 3.98 0.00 2.21 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 25 N 8.04 4.33 0.00 2.82 3.04 0.00 0.00 6.83 6.99 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 26 V 7.81 3.56 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 0.94 0.00 0.00 0.98 0.00 0.00 27 K 8.44 4.40 0.00 2.00 1.86 0.00 1.88 0.00 0.00 1.92 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.63 1.51 7.81 28 A 7.98 3.98 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 29 K 7.97 3.92 0.00 2.02 1.86 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.44 1.62 7.81 30 I 7.88 3.71 2.13 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 1.40 0.90 0.91 0.00 0.00 31 Q 8.21 4.23 0.00 2.22 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00 32 D 7.97 4.34 0.00 2.90 2.71 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 33 K 7.93 4.22 0.00 1.93 1.87 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.47 7.81 34 E 8.36 4.49 0.00 1.96 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 2.23 2.36 0.00 35 G 8.37 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 36 I 7.37 4.13 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 1.42 1.42 0.91 0.00 0.00 37 P 0.00 4.44 0.00 2.29 1.97 0.00 3.75 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.22 0.00 2.17 2.12 0.00 3.59 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.25 0.00 39 D 8.04 4.50 0.00 2.77 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 40 Q 8.25 4.40 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.84 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 41 Q 7.96 4.81 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.55 0.00 42 R 8.95 4.80 0.00 1.95 1.80 0.00 3.16 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 43 L 8.48 5.11 0.00 1.55 1.53 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.72 5.13 1.91 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 1.09 0.93 0.88 0.00 0.00 45 F 9.14 4.94 0.00 3.05 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 46 A 8.63 3.61 0.96 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 0.00 0.00 47 G 8.27 3.95 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 0.00 0.00 0.00 48 K 7.65 4.65 0.00 1.98 1.74 0.00 1.98 0.00 0.00 1.80 0.00 0.00 3.33 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.44 1.42 7.81 49 Q 8.54 4.62 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 50 L 8.58 4.12 0.00 1.34 1.26 0.72 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.29 4.52 0.00 2.08 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 0.00 2.34 2.42 0.00 52 D 9.12 4.35 0.00 2.72 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 53 G 8.03 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.99 4.47 0.00 2.24 1.83 0.00 3.06 0.00 0.00 2.89 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 55 T 8.47 5.05 4.46 0.00 0.00 0.00 0.00 0.00 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 56 L 8.57 4.19 0.00 1.91 1.71 0.90 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.38 4.16 0.00 3.98 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 58 D 7.71 4.24 0.00 2.32 2.37 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 59 Y 7.98 4.61 0.00 3.14 3.09 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 60 N 8.05 4.41 0.00 2.95 3.08 0.00 0.00 7.13 8.02 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 61 I 7.02 3.32 1.77 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.09 0.59 0.00 0.00 62 Q 8.65 4.64 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.99 0.00 0.00 0.00 0.00 0.00 2.25 2.44 0.00 63 K 8.47 4.09 0.00 1.68 1.72 0.00 1.89 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.42 7.81 64 E 9.25 3.76 0.00 2.20 2.29 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 2.58 2.23 0.00 65 S 7.94 4.51 0.00 3.69 3.65 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 66 T 8.77 5.16 4.40 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 1.27 0.00 0.00 67 L 9.01 4.97 0.00 1.67 1.63 0.79 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.94 5.44 0.00 3.12 3.19 0.00 5.75 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.60 5.17 0.00 1.61 1.51 0.99 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.88 4.52 2.09 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 1.01 0.00 0.00 0.94 0.00 0.00 71 L 8.34 5.13 0.00 1.55 1.57 0.93 0.94 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 72 R 8.67 4.12 0.00 1.68 1.87 0.00 3.35 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 73 L 8.51 4.21 0.00 1.63 1.59 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 *74 R 8.40 4.14 0.00 1.57 1.74 0.00 3.23 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 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.