NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *20 M 4.3848 8.3044 118.7933 53.9342 33.4195 175.1166 21 K 4.0671 8.2064 121.8323 53.3890 33.0384 174.2874 22 T 4.3501 8.7226 115.4374 60.8619 70.8764 172.5410 23 E 5.0638 6.9468 120.0392 54.9239 34.0736 175.4052 24 W 5.1631 9.4215 120.1048 53.2444 29.7493 174.6741 25 P 4.4235 0.0000 0.0000 65.3107 31.3548 179.0974 26 E 4.2064 8.2692 116.2502 58.0682 29.9293 177.9727 27 L 4.3600 8.1181 119.5513 55.5531 42.3075 176.9369 28 V 3.8200 7.3635 119.2583 64.2800 31.6900 176.3151 29 G 3.9790 9.1771 115.9324 45.3714 0.0000 173.7188 30 K 4.3716 7.8698 119.7293 55.0307 33.4496 176.4844 31 S 4.7205 8.5430 116.9185 57.8461 64.8262 175.5004 32 V 3.5866 8.5025 124.5322 65.3087 30.8806 178.6812 33 E 3.9009 8.0401 118.4626 59.1805 29.3209 178.7930 34 E 3.8789 8.3421 119.1379 58.9706 29.6188 178.3645 35 A 3.8863 8.0169 120.9221 55.2967 18.3457 179.7321 36 K 3.7235 8.0012 116.6648 59.3426 32.1711 179.4888 37 K 3.8365 7.8903 119.7636 59.4424 32.2095 178.9551 38 V 3.5459 7.9319 118.7110 66.1572 31.5003 177.9632 39 I 3.1371 7.6515 119.7681 64.2631 36.8036 178.4817 40 L 4.4399 8.0159 119.4702 57.4224 41.1194 179.5802 41 Q 4.0345 7.6871 117.7751 58.9063 28.7343 177.7588 42 D 4.7826 7.9318 118.7994 55.5601 42.5770 176.9676 43 K 4.6753 8.5653 120.3288 53.7278 32.3350 174.4307 44 P 4.5251 0.0000 0.0000 64.2001 31.8362 177.2767 45 A 4.3676 7.8904 118.3421 51.8304 18.8580 176.8553 46 A 4.2615 7.9195 119.6516 52.8325 19.3941 178.0536 47 Q 4.3367 9.1700 121.7553 54.7322 30.0251 174.6836 48 I 4.8077 8.1253 125.4558 59.7510 38.9028 175.3524 49 I 4.4816 8.3426 126.6087 59.0652 41.3131 173.8552 50 V 4.5912 8.2720 128.4858 61.3853 32.7893 174.6840 51 L 4.8788 8.6519 126.8989 51.9999 46.2970 174.0432 52 P 4.9791 0.0000 0.0000 62.2080 32.3778 176.6830 53 V 3.9450 8.8360 124.9530 62.5653 32.1542 176.0795 54 G 3.8431 8.6885 109.2559 46.7164 0.0000 173.3989 55 T 4.6036 7.3003 108.3840 59.5887 71.1590 173.4666 56 I 4.4690 7.9771 122.1394 59.9839 38.9129 175.7153 57 V 4.6575 7.8864 115.5453 59.3416 35.6951 175.5210 58 T 4.1124 8.4394 111.4179 62.5567 68.9964 173.9803 59 M 4.7491 8.2774 121.9023 54.9856 32.8460 176.3383 60 E 4.1911 8.2071 115.7422 56.2668 30.6469 175.2766 61 Y 4.6393 8.4777 121.0141 56.0479 40.1121 175.2252 62 R 4.3998 8.2217 127.9913 54.1621 31.3326 177.1098 63 I 3.5583 8.2083 124.1347 62.9502 38.4308 176.0804 64 D 4.5437 7.9814 118.0698 53.7772 40.3092 175.3449 65 A 5.1860 7.6438 122.5506 50.4009 22.2687 175.9893 66 V 4.6900 8.3332 119.0012 61.2835 34.7418 174.5069 67 R 4.7097 8.7140 127.2164 55.1367 31.5200 175.6828 68 L 4.5690 8.7971 124.3605 52.9951 44.2003 175.4465 69 F 5.0150 8.7977 123.1367 56.3879 40.4625 175.2821 70 V 4.9962 8.7290 118.2613 59.5033 34.8071 176.3936 71 D 4.7444 8.8642 123.8383 52.3770 40.9121 177.0373 72 R 4.1006 8.4270 114.2827 58.2517 29.5515 176.9487 73 L 4.3488 8.0155 117.3057 54.3257 42.1258 175.9228 74 D 4.4864 8.0770 118.2126 55.5227 38.2905 173.1416 75 N 5.2543 7.9991 115.3971 51.1552 41.0415 174.7813 76 I 4.2113 8.7791 122.4621 61.7525 37.4072 176.7374 77 A 4.7172 8.9411 127.2875 51.8531 20.0292 175.6271 78 Q 4.5294 7.7086 115.4121 53.6713 32.3066 174.2051 79 V 3.8099 8.4067 123.5182 62.6793 32.0678 173.9542 80 P 4.8121 0.0000 0.0000 62.8384 32.4399 175.5810 81 R 5.4868 8.5343 118.6787 54.4131 32.9476 174.7419 82 V 3.9795 8.7849 120.5065 62.9561 32.5704 176.3103 83 G 2.8918 8.3022 114.5091 45.0579 0.0000 173.0560 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 *20 M 8.30 4.38 0.00 1.77 1.91 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 21 K 8.21 4.07 0.00 1.63 1.62 0.00 1.47 0.00 0.00 1.75 0.00 0.00 2.18 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.53 0.63 7.81 22 T 8.72 4.35 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 23 E 6.95 5.06 0.00 1.75 1.80 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 2.20 2.22 0.00 24 W 9.42 5.16 0.00 3.36 2.97 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 25 P 0.00 4.42 0.00 2.24 2.34 0.00 3.75 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.95 0.00 26 E 8.27 4.21 0.00 2.19 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 2.47 2.36 0.00 27 L 8.12 4.36 0.00 1.96 1.77 0.77 0.62 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 28 V 7.36 3.82 2.12 0.00 0.00 0.00 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 1.06 0.00 0.00 29 G 9.18 3.98 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 0.00 0.00 0.00 30 K 7.87 4.37 0.00 1.91 1.74 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.57 1.53 7.81 31 S 8.54 4.72 0.00 4.21 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 32 V 8.50 3.59 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 0.85 0.00 0.00 0.87 0.00 0.00 33 E 8.04 3.90 0.00 2.05 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 2.38 2.40 0.00 34 E 8.34 3.88 0.00 2.03 1.92 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 2.29 2.31 0.00 35 A 8.02 3.89 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 36 K 8.00 3.72 0.00 1.90 1.79 0.00 1.61 0.00 0.00 1.51 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.48 7.81 37 K 7.89 3.84 0.00 1.80 1.92 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.42 7.81 38 V 7.93 3.55 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 1.05 0.00 0.00 0.94 0.00 0.00 39 I 7.65 3.14 1.52 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.37 0.00 0.00 40 L 8.02 4.44 0.00 1.69 1.68 0.86 0.69 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 41 Q 7.69 4.03 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.99 0.00 0.00 0.00 0.00 0.00 2.40 2.67 0.00 42 D 7.93 4.78 0.00 3.21 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.57 4.68 0.00 1.91 1.83 0.00 1.89 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.37 1.49 7.81 44 P 0.00 4.53 0.00 2.08 2.11 0.00 3.80 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 45 A 7.89 4.37 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 46 A 7.92 4.26 1.25 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 0.00 0.00 0.00 47 Q 9.17 4.34 0.00 1.90 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.52 0.00 48 I 8.13 4.81 1.78 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.41 0.79 0.00 0.00 49 I 8.34 4.48 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.40 0.78 0.00 0.00 50 V 8.27 4.59 1.99 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 0.78 0.00 0.00 0.84 0.00 0.00 51 L 8.65 4.88 0.00 0.93 1.39 0.73 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.98 0.00 2.13 2.00 0.00 3.65 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 53 V 8.84 3.94 2.20 0.00 0.00 0.00 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 0.94 0.00 0.00 54 G 8.69 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 55 T 7.30 4.60 4.32 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 1.30 0.00 0.00 56 I 7.98 4.47 1.89 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 1.41 0.62 0.93 0.00 0.00 57 V 7.89 4.66 2.21 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 1.04 0.00 0.00 1.08 0.00 0.00 58 T 8.44 4.11 4.30 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 1.23 0.00 0.00 59 M 8.28 4.75 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.61 0.00 60 E 8.21 4.19 0.00 2.12 1.99 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 2.30 2.26 0.00 61 Y 8.48 4.64 0.00 2.92 2.94 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 0.00 0.00 0.00 62 R 8.22 4.40 0.00 1.71 1.89 0.00 3.14 0.00 0.00 3.05 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.48 0.00 63 I 8.21 3.56 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.86 0.93 0.00 0.00 64 D 7.98 4.54 0.00 2.84 2.87 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 65 A 7.64 5.19 1.22 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 0.00 0.00 0.00 66 V 8.33 4.69 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.87 0.00 0.00 67 R 8.71 4.71 0.00 1.73 1.40 0.00 3.34 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 68 L 8.80 4.57 0.00 1.37 1.47 0.79 0.77 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 69 F 8.80 5.02 0.00 3.03 3.02 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 0.00 0.00 0.00 0.00 70 V 8.73 5.00 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 0.73 0.00 0.00 1.02 0.00 0.00 71 D 8.86 4.74 0.00 2.89 2.86 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 72 R 8.43 4.10 0.00 1.95 2.11 0.00 3.03 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 73 L 8.02 4.35 0.00 1.79 1.74 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.08 4.49 0.00 2.97 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.00 5.25 0.00 3.04 2.79 0.00 0.00 7.07 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 I 8.78 4.21 2.08 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.79 0.98 0.00 0.00 77 A 8.94 4.72 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 78 Q 7.71 4.53 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 79 V 8.41 3.81 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 0.95 0.00 0.00 0.98 0.00 0.00 80 P 0.00 4.81 0.00 2.31 1.97 0.00 3.93 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.15 0.00 81 R 8.53 5.49 0.00 1.98 1.99 0.00 3.14 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 82 V 8.78 3.98 2.20 0.00 0.00 0.00 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 1.18 0.00 0.00 83 G 8.30 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.