NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.0197 0.0000 0.0000 63.3474 32.5303 177.4522 3 K 4.2226 7.9087 117.6992 56.1936 29.8585 172.9363 4 M 4.1877 9.1949 127.6341 55.5381 33.4791 175.8176 5 K 4.4727 8.2816 121.4123 54.9484 33.7481 176.6585 6 T 3.9743 8.3477 113.8686 61.2990 69.5081 173.6124 7 H 4.1511 8.5972 126.4893 56.1360 28.8438 175.5701 8 K 4.1836 8.5347 127.4969 59.0435 31.6734 179.2086 9 G 3.6377 7.8472 104.9211 47.3809 0.0000 175.3501 10 A 4.1104 8.3757 122.6786 54.8584 18.4349 179.3116 11 K 3.5640 8.0906 116.3537 59.9319 32.3076 178.2065 12 K 4.3489 7.7364 116.5379 57.8857 31.9531 177.7945 13 R 4.7264 8.5637 116.9031 55.0168 30.1286 175.0920 14 V 4.3664 7.5890 114.2146 61.7723 33.7918 171.7010 15 K 4.5905 8.9151 126.8914 54.6390 34.6087 174.4303 16 I 4.7910 8.2751 126.4137 59.9444 39.5091 175.4479 17 T 4.5654 8.8750 119.4917 60.3417 71.3324 174.7997 18 A 4.0708 8.5737 122.8801 55.9033 18.4937 179.2717 19 S 4.1951 7.9434 109.3792 59.8381 63.0965 175.1178 20 G 3.9020 7.7420 107.6510 45.1857 0.0000 173.6448 21 K 4.2090 7.6736 118.5804 55.5049 34.0004 175.9002 22 V 4.6726 8.1231 122.3641 61.2396 33.8608 174.3533 23 V 5.4341 9.6066 127.7713 60.3948 34.2508 174.1459 24 A 5.1966 8.3594 127.4794 50.2687 23.5151 174.5638 25 M 4.3899 8.5221 118.7076 55.1888 33.6509 176.0060 26 K 4.4990 8.3267 119.1532 54.9506 33.5900 176.8934 27 T 4.0542 8.2404 114.6797 62.2100 69.4795 173.4499 28 G 3.6611 8.1687 112.2189 45.4265 0.0000 174.4626 29 K 4.6794 7.6429 117.8879 56.8270 33.2371 177.4663 30 R 4.2109 8.2439 119.9863 59.2767 30.3416 176.6636 31 H 4.6815 7.9275 109.8491 55.5611 31.5144 174.5759 32 L 4.0013 8.4834 121.1133 58.2799 41.6120 177.2758 33 N 4.2563 7.5196 113.4294 52.3361 39.4078 174.5213 34 W 4.7885 8.1983 135.0000 58.6590 30.7756 173.9556 35 Q 4.2187 7.0960 113.7782 55.2899 29.3908 172.1493 36 K 4.5929 8.0758 123.0908 53.7300 36.4070 176.8520 37 S 4.1978 8.6455 116.8688 58.3216 63.4057 175.5764 38 G 3.6332 8.7109 110.3568 48.6501 0.0000 175.5872 39 K 3.7596 7.6153 118.8525 59.3404 31.7084 177.5703 40 E 4.1408 7.5933 118.4815 57.6650 29.8693 178.0189 41 I 3.7991 7.9669 123.5859 65.0594 37.9697 177.2756 42 R 4.0300 8.1352 118.8067 59.7665 30.0486 179.3073 43 Q 4.4045 7.7205 116.3075 56.0421 27.6632 177.8845 44 K 4.6567 7.6353 114.9800 54.5083 33.5148 177.2082 45 G 4.2306 7.6549 114.6177 45.4449 0.0000 169.9253 46 R 4.7255 8.7815 126.5768 55.3458 29.9319 175.5822 47 K 4.3290 7.9103 124.7345 57.6208 33.3119 174.2218 48 F 5.4893 7.7446 118.1671 56.8090 40.6458 175.3724 49 V 4.3843 7.6233 110.7586 61.2043 34.8637 172.2989 50 L 4.5974 7.9438 123.3435 54.3694 45.1431 174.9399 51 A 4.9609 9.6014 130.0047 53.8420 17.9873 180.7077 52 K 3.9899 7.7855 113.9038 58.9179 32.1059 177.7500 53 P 4.2446 0.0000 0.0000 65.4831 31.4702 178.1779 54 E 3.8989 7.8987 117.9340 58.3949 29.2154 178.6959 55 A 4.1492 7.6448 120.3448 54.2804 19.7128 178.4095 56 E 3.7757 8.0692 118.1386 59.8403 29.6027 179.5596 57 R 3.8415 8.2471 117.9312 59.3205 29.9694 178.9596 58 I 3.7474 7.5286 118.0478 63.7373 37.2678 177.5540 59 K 4.3169 7.9272 118.4784 56.4354 33.4835 176.6232 60 L 4.7949 7.3718 121.1457 53.1751 39.6920 175.5479 61 L 4.1307 6.9207 120.5629 57.9215 41.6897 179.1559 62 L 4.1086 7.9089 123.1068 55.7044 42.3639 176.1750 63 P 4.6298 0.0000 0.0000 62.3559 32.8366 176.2221 64 Y 3.1933 8.0787 119.0745 59.1733 37.2251 171.5209 *65 E 4.1515 8.5284 114.1935 56.7403 30.5285 171.4514 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 2 P 0.00 4.02 0.00 2.20 2.12 0.00 3.74 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 1.89 1.96 0.00 3 K 7.91 4.22 0.00 1.89 2.07 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.53 7.81 4 M 9.19 4.19 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.58 0.00 5 K 8.28 4.47 0.00 1.74 1.73 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.41 7.81 6 T 8.35 3.97 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 1.26 0.00 0.00 7 H 8.60 4.15 0.00 3.15 3.25 0.00 5.59 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.53 4.18 0.00 1.86 1.84 0.00 1.75 0.00 0.00 1.83 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.59 7.81 9 G 7.85 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.38 4.11 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 11 K 8.09 3.56 0.00 1.80 1.95 0.00 1.88 0.00 0.00 1.84 0.00 0.00 3.42 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.56 1.84 7.81 12 K 7.74 4.35 0.00 1.73 1.87 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.15 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.80 7.81 13 R 8.56 4.73 0.00 1.76 1.93 0.00 3.10 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.55 0.00 14 V 7.59 4.37 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.94 0.00 0.00 15 K 8.92 4.59 0.00 1.90 1.72 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.53 7.81 16 I 8.28 4.79 1.77 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 1.44 1.13 0.93 0.00 0.00 17 T 8.88 4.57 4.29 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 1.32 0.00 0.00 18 A 8.57 4.07 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 19 S 7.94 4.20 0.00 3.85 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 20 G 7.74 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.67 4.21 0.00 1.64 1.39 0.00 1.65 0.00 0.00 0.77 0.00 0.00 2.62 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.05 1.24 7.81 22 V 8.12 4.67 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 0.94 0.00 0.00 0.92 0.00 0.00 23 V 9.61 5.43 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 1.23 0.00 0.00 1.07 0.00 0.00 24 A 8.36 5.20 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 25 M 8.52 4.39 0.00 1.92 2.06 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 2.61 2.53 0.00 26 K 8.33 4.50 0.00 1.73 1.73 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.61 1.33 7.81 27 T 8.24 4.05 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 28 G 8.17 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.64 4.68 0.00 1.99 1.83 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.47 7.81 30 R 8.24 4.21 0.00 1.86 2.05 0.00 3.42 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 31 H 7.93 4.68 0.00 3.23 3.31 0.00 5.55 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.48 4.00 0.00 1.70 1.82 0.94 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.52 4.26 0.00 2.77 2.82 0.00 0.00 6.71 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 34 W 8.20 4.79 0.00 3.27 3.30 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 35 Q 7.10 4.22 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.50 0.00 0.00 0.00 0.00 0.00 1.53 1.74 0.00 36 K 8.08 4.59 0.00 1.69 1.61 0.00 1.97 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.42 7.81 37 S 8.65 4.20 0.00 3.96 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 38 G 8.71 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.62 3.76 0.00 1.75 1.81 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.43 7.81 40 E 7.59 4.14 0.00 2.15 1.83 0.00 0.00 0.00 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 2.42 0.00 41 I 7.97 3.80 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.62 0.91 0.00 0.00 42 R 8.14 4.03 0.00 1.76 2.13 0.00 3.25 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 43 Q 7.72 4.40 0.00 2.31 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.99 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 44 K 7.64 4.66 0.00 1.93 1.70 0.00 1.61 0.00 0.00 1.84 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.46 7.81 45 G 7.65 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.78 4.73 0.00 1.80 1.76 0.00 3.44 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 47 K 7.91 4.33 0.00 2.02 1.98 0.00 1.52 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.22 7.81 48 F 7.74 5.49 0.00 3.02 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 49 V 7.62 4.38 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 0.61 0.00 0.00 0.98 0.00 0.00 50 L 7.94 4.60 0.00 1.50 1.47 0.93 1.03 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 51 A 9.60 4.96 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 52 K 7.79 3.99 0.00 1.85 1.86 0.00 1.55 0.00 0.00 1.86 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.55 7.81 53 P 0.00 4.24 0.00 2.21 2.27 0.00 3.68 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.26 0.00 54 E 7.90 3.90 0.00 2.21 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 0.00 2.30 2.29 0.00 55 A 7.64 4.15 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 56 E 8.07 3.78 0.00 2.03 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 2.27 2.36 0.00 57 R 8.25 3.84 0.00 1.84 1.93 0.00 3.17 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 58 I 7.53 3.75 1.99 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 1.73 0.72 0.90 0.00 0.00 59 K 7.93 4.32 0.00 1.95 1.82 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.38 1.41 7.81 60 L 7.37 4.79 0.00 1.48 1.44 0.48 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 61 L 6.92 4.13 0.00 1.75 1.67 1.02 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.91 4.11 0.00 1.69 1.80 0.98 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.63 0.00 2.69 2.19 0.00 3.88 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 2.18 2.11 0.00 64 Y 8.08 3.19 0.00 3.00 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 *65 E 8.53 4.15 0.00 1.73 1.76 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.