NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3339 0.0000 0.0000 62.9613 32.6267 175.8242 3 K 4.4078 7.7705 119.3495 53.4197 31.7791 173.9473 4 M 4.2259 9.3141 124.8781 55.4554 33.8822 174.9560 5 K 4.6186 8.2097 123.3618 54.6783 34.3076 176.5264 6 T 4.0840 8.1561 112.2993 61.4831 69.7061 173.8275 7 H 4.3974 8.7613 124.8232 55.6113 30.1514 176.2157 8 K 4.1686 8.6531 127.8091 59.3467 31.7588 179.4966 9 G 3.7098 7.9651 104.6275 47.2740 0.0000 174.9511 10 A 4.2925 8.1247 122.3189 54.5889 18.9968 179.0848 11 K 3.9520 7.6910 116.7963 59.4277 32.1850 178.0017 12 K 4.5091 7.8909 116.2479 56.2576 32.1647 177.4438 13 R 4.6697 8.1548 113.2995 55.7845 31.2324 174.7465 14 V 4.7072 7.5328 116.8431 61.6444 34.8878 173.6020 15 K 4.6694 9.1039 127.5333 54.5592 35.6085 174.3229 16 I 4.8147 8.2504 126.6682 59.6524 39.0558 175.7335 17 T 4.2659 8.9040 121.1155 60.8604 70.5749 174.7540 18 A 4.0293 8.4998 123.2914 55.0695 18.5802 178.8066 19 S 4.3158 7.8054 107.9160 58.3637 63.7456 174.7073 20 G 4.0749 7.4721 108.9266 45.1481 0.0000 174.1720 21 K 4.3229 8.1884 119.6920 56.0388 34.0789 175.9484 22 V 4.7371 8.3130 121.4953 61.3967 33.8244 174.5920 23 V 5.4426 9.3134 121.0085 58.9888 34.8041 174.6638 24 A 5.0093 8.1500 123.9996 50.5732 23.2322 175.9333 25 M 4.5498 8.3051 119.0316 55.0041 32.8250 175.8994 26 K 4.4661 8.3443 120.3924 55.1978 34.9378 175.7557 27 T 3.9585 8.3818 114.6800 62.8030 69.1629 173.0864 28 G 3.9433 8.9683 114.4506 46.4291 0.0000 175.9721 29 K 3.8808 7.8752 117.5444 58.4088 32.3483 174.6082 30 R 3.6628 7.6954 120.2294 57.5740 28.8309 175.4212 31 H 4.1127 9.0585 115.8827 58.0790 24.8453 176.4954 32 L 3.6119 6.4832 120.9273 54.9403 43.4673 178.1551 33 N 4.6176 8.2157 119.9301 53.7109 38.9447 175.3153 34 W 4.5379 7.9354 126.0067 58.9594 32.5069 175.7939 35 Q 4.0429 8.4057 114.4076 56.0206 24.7820 174.7926 36 K 4.5953 8.0334 120.2014 57.2945 30.2474 175.8801 37 S 4.0605 5.8895 114.8344 58.8032 66.3842 174.6611 38 G 4.5639 9.2144 112.7128 45.1427 0.0000 174.3127 39 K 3.9934 7.8194 119.6972 56.8616 31.5264 176.0791 40 E 3.9197 8.1189 118.0341 58.2057 30.0484 177.8085 41 I 3.2233 8.1661 111.6324 64.0229 37.3568 176.6711 42 R 3.9414 7.4448 120.0590 59.1795 30.4073 177.0160 43 Q 4.4340 8.4776 119.4210 54.9207 27.5604 177.5702 44 K 4.4750 7.3779 117.1121 54.3105 33.1498 176.5208 45 G 4.0740 7.6514 110.2189 43.8430 0.0000 170.6860 46 R 4.6160 8.2322 118.9573 56.0336 31.6738 176.1583 47 K 4.7527 8.6388 117.9027 55.2696 36.0308 175.5119 48 F 4.6124 9.3518 118.0847 57.8749 38.0643 174.5305 49 V 4.2754 8.2042 121.1142 61.1405 33.6213 174.4732 50 L 4.4584 8.1439 126.6580 55.1813 43.8199 177.5574 51 A 3.7068 8.1695 121.8257 51.9551 14.8302 175.0258 52 K 4.8928 7.6493 135.0000 56.2037 31.4724 174.5090 53 P 4.4640 0.0000 0.0000 63.8871 31.4736 177.4398 54 E 3.9407 8.2884 117.0979 59.6124 29.5852 178.5750 55 A 4.1004 7.8980 121.0954 54.7640 18.5683 178.9778 56 E 3.8392 7.5090 117.3130 60.0074 29.5036 179.9060 57 R 4.0816 8.4864 117.9416 59.5120 29.8440 179.1214 58 I 3.8730 7.5070 118.5377 63.4554 37.3949 177.4634 59 K 4.4067 8.3282 118.3607 56.0546 33.0333 176.4898 60 L 4.9239 7.3604 118.3237 53.8284 41.9802 176.7844 61 L 4.2397 7.9142 121.5555 58.1864 42.7043 179.6060 62 L 4.0534 8.0331 118.2112 57.1837 41.8168 177.5117 63 P 4.2033 0.0000 0.0000 64.1019 31.5998 176.9833 64 Y 3.3795 8.1226 118.4259 59.8505 37.9710 171.9111 *65 E 4.1515 8.6210 117.1488 57.2187 30.5285 171.8818 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 4.33 0.00 2.19 2.13 0.00 3.76 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 2.00 0.00 3 K 7.77 4.41 0.00 1.88 1.78 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.48 7.81 4 M 9.31 4.23 0.00 1.99 1.98 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 2.60 2.58 0.00 5 K 8.21 4.62 0.00 1.78 1.70 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.40 7.81 6 T 8.16 4.08 4.27 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 1.23 0.00 0.00 7 H 8.76 4.40 0.00 3.23 3.24 0.00 5.58 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.65 4.17 0.00 1.76 1.83 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.43 7.81 9 G 7.97 3.71 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 0.00 0.00 0.00 10 A 8.12 4.29 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 11 K 7.69 3.95 0.00 1.75 2.06 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.52 7.81 12 K 7.89 4.51 0.00 1.79 1.82 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.73 7.81 13 R 8.15 4.67 0.00 1.80 1.93 0.00 3.04 0.00 0.00 3.15 7.29 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 7.53 4.71 2.25 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 0.75 0.00 0.00 0.92 0.00 0.00 15 K 9.10 4.67 0.00 1.83 1.59 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.35 7.81 16 I 8.25 4.81 1.86 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.99 0.91 0.00 0.00 17 T 8.90 4.27 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 1.26 0.00 0.00 18 A 8.50 4.03 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 19 S 7.81 4.32 0.00 3.97 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 20 G 7.47 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.19 4.32 0.00 1.78 1.78 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.38 7.81 22 V 8.31 4.74 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 0.93 0.00 0.00 23 V 9.31 5.44 2.10 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 0.93 0.00 0.00 0.98 0.00 0.00 24 A 8.15 5.01 1.16 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 0.00 0.00 25 M 8.31 4.55 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.49 0.00 26 K 8.34 4.47 0.00 1.67 1.59 0.00 1.61 0.00 0.00 1.77 0.00 0.00 2.81 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.35 7.81 27 T 8.38 3.96 4.19 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 0.00 0.00 0.00 1.16 0.00 0.00 28 G 8.97 3.94 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 0.00 0.00 0.00 29 K 7.88 3.88 0.00 1.80 1.79 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.45 7.81 30 R 7.70 3.66 0.00 1.79 1.87 0.00 3.32 0.00 0.00 3.11 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 31 H 9.06 4.11 0.00 3.29 3.62 0.00 5.78 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 6.48 3.61 0.00 2.00 2.13 1.28 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.22 4.62 0.00 3.06 3.07 0.00 0.00 6.85 7.95 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 34 W 7.94 4.54 0.00 3.28 3.26 0.00 0.00 0.00 0.00 0.00 0.00 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 8.41 4.04 0.00 1.91 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.55 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 36 K 8.03 4.60 0.00 1.49 1.57 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.71 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.33 7.81 37 S 5.89 4.06 0.00 4.11 3.77 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 0.00 0.00 0.00 38 G 9.21 4.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 7.82 3.99 0.00 1.98 1.95 0.00 1.77 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.39 7.81 40 E 8.12 3.92 0.00 2.06 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 2.22 2.30 0.00 41 I 8.17 3.22 1.98 0.00 0.00 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 1.45 0.80 1.33 0.00 0.00 42 R 7.44 3.94 0.00 1.76 2.15 0.00 3.26 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 43 Q 8.48 4.43 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.94 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 44 K 7.38 4.47 0.00 1.76 1.67 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.27 1.39 7.81 45 G 7.65 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 R 8.23 4.62 0.00 1.73 1.91 0.00 3.24 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 47 K 8.64 4.75 0.00 1.43 1.70 0.00 0.92 0.00 0.00 1.37 0.00 0.00 2.83 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.18 1.46 7.81 48 F 9.35 4.61 0.00 3.10 3.05 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 0.00 0.00 0.00 0.00 49 V 8.20 4.28 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 0.69 0.00 0.00 1.01 0.00 0.00 50 L 8.14 4.46 0.00 1.71 1.56 0.99 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.17 3.71 1.46 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 0.00 0.00 0.00 52 K 7.65 4.89 0.00 1.95 2.09 0.00 1.59 0.00 0.00 1.86 0.00 0.00 3.25 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.27 1.19 7.81 53 P 0.00 4.46 0.00 2.30 2.27 0.00 3.71 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.18 0.00 54 E 8.29 3.94 0.00 2.13 2.13 0.00 0.00 0.00 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 2.38 0.00 55 A 7.90 4.10 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 56 E 7.51 3.84 0.00 2.18 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 2.32 2.39 0.00 57 R 8.49 4.08 0.00 1.94 1.96 0.00 3.07 0.00 0.00 3.35 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.89 0.00 58 I 7.51 3.87 2.03 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 1.71 0.74 0.92 0.00 0.00 59 K 8.33 4.41 0.00 1.88 1.83 0.00 1.48 0.00 0.00 1.56 0.00 0.00 2.84 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.43 1.45 7.81 60 L 7.36 4.92 0.00 1.58 1.65 0.94 1.12 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 61 L 7.91 4.24 0.00 1.68 1.79 0.97 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.03 4.05 0.00 1.69 1.63 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.20 0.00 2.22 2.22 0.00 4.01 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.05 0.00 64 Y 8.12 3.38 0.00 2.93 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 *65 E 8.62 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.