NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4617 8.3049 120.3197 55.0700 34.6409 175.8574 2 K 4.4109 7.5485 128.5778 53.4844 30.6260 177.3706 3 E 3.6557 10.3896 125.0814 57.8430 29.5799 174.2285 4 G 3.8545 11.3000 104.4200 45.5222 0.0000 174.0821 5 I 4.4157 7.3475 107.1640 59.7686 37.8794 172.5338 6 H 5.0322 7.8984 117.4484 54.1620 32.2085 173.2697 7 P 4.3309 0.0000 0.0000 64.0708 31.3750 176.6886 8 K 4.3010 7.5361 120.7053 55.6346 32.2701 176.3155 9 L 4.2188 7.8723 114.0513 53.6043 41.7286 172.7033 10 V 4.6918 7.9614 122.3760 60.5009 34.3654 169.3235 11 P 4.4921 0.0000 0.0000 63.4350 32.0204 174.8799 12 A 4.6965 8.7777 123.1631 51.1644 22.2677 174.6731 13 R 4.7413 8.7137 114.3329 54.7002 33.1618 174.5602 14 I 4.7483 8.2775 119.8002 59.6002 41.1537 175.6945 15 I 4.4414 8.1875 123.1873 59.8853 40.1005 175.1556 16 C 4.7114 8.4652 128.4847 58.4468 32.6813 173.4796 17 G 4.3417 8.9425 106.6920 45.9830 0.0000 174.3069 18 C 4.8201 7.2995 114.2960 56.4261 30.3275 173.9781 19 G 3.4650 7.4096 114.3102 46.2180 0.0000 173.1516 20 N 3.6918 7.6454 117.8573 50.2031 38.4571 172.5140 21 V 4.6722 7.8987 124.7558 60.7493 32.9685 174.8902 22 I 4.0078 8.1383 127.6483 61.0763 38.8753 174.7389 23 E 4.6142 8.5080 124.0838 54.8091 31.7184 173.6297 24 T 4.4772 8.4347 124.0102 61.1276 72.6644 172.3744 25 Y 5.3203 9.6586 119.0096 55.5218 43.1483 177.1375 26 S 5.1233 7.8816 116.0626 59.5681 65.7447 177.6267 27 T 4.5771 8.5887 114.1165 60.8392 69.7149 170.5578 28 K 3.7150 8.6481 132.3693 55.2626 29.6062 174.0426 29 P 4.2363 0.0000 0.0000 64.4813 31.6785 175.6164 30 E 4.7243 7.4900 116.3599 54.6527 30.9433 175.8849 31 I 3.9935 7.8452 125.6961 59.6062 40.7213 174.4380 32 Y 4.6719 7.3735 126.9653 55.7282 37.2272 174.5774 33 V 4.1898 8.3353 126.9521 62.4488 33.1027 175.3803 34 E 4.2105 8.9858 126.6800 58.9477 29.8616 176.9288 35 V 4.7740 7.6005 116.6586 61.2875 35.5102 174.3500 36 C 4.9962 8.3014 119.1328 57.7025 30.8666 173.3527 37 S 4.5406 8.6553 116.5648 57.5022 63.0096 173.9744 38 K 5.1065 8.1027 135.0000 57.2241 32.9616 174.4445 39 C 4.4849 7.7851 119.2040 57.2487 30.0258 170.2687 40 H 3.3950 7.1935 124.2456 54.2539 31.5185 173.3435 41 P 3.9976 0.0000 0.0000 61.6480 32.5677 174.0615 42 F 4.6596 8.9121 113.0451 57.8920 39.9504 171.1552 43 Y 3.5813 9.2908 115.2559 56.6543 42.5079 172.9388 44 T 3.4030 7.4557 109.1594 60.1846 69.0961 174.1316 45 G 3.7717 8.2468 117.2696 46.7023 0.0000 171.4518 46 Q 4.4455 7.9362 116.2248 55.8143 32.0410 174.3540 47 Q 4.2696 8.3211 123.4129 57.4260 31.9280 174.4484 48 R 4.8668 7.9502 118.9430 57.7973 31.4844 174.2820 49 F 4.8629 8.7117 123.6988 56.9988 43.5689 174.9618 50 V 3.3171 7.6024 116.2378 63.3942 31.1043 176.0841 51 D 5.0594 9.5141 115.3664 53.6936 37.4730 176.5178 52 T 3.9774 7.6367 108.5180 64.1331 69.0608 174.6182 53 E 4.2180 8.0474 121.3855 55.6036 30.6975 177.1062 54 G 4.3058 8.4521 112.0775 45.1727 0.0000 172.7518 55 R 4.6375 7.5540 110.1925 56.0873 32.2851 177.1402 56 V 4.2122 8.3633 114.5076 60.5199 30.8123 175.4638 57 E 5.7766 7.9044 135.0000 58.3298 28.6185 177.1268 *58 R 4.1530 7.4705 120.8263 56.3771 30.1652 177.2854 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 8.30 4.46 0.00 1.95 2.10 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.62 0.00 2 K 7.55 4.41 0.00 1.84 1.16 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.45 7.81 3 E 10.39 3.66 0.00 2.14 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 0.00 2.24 2.27 0.00 4 G 11.30 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 7.35 4.42 1.89 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 1.42 0.66 0.93 0.00 0.00 6 H 7.90 5.03 0.00 3.15 3.24 0.00 5.64 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.33 0.00 2.06 2.12 0.00 3.75 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 8 K 7.54 4.30 0.00 1.99 2.08 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.50 7.81 9 L 7.87 4.22 0.00 1.72 2.02 1.04 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.96 4.69 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 0.76 0.00 0.00 0.94 0.00 0.00 11 P 0.00 4.49 0.00 1.91 1.98 0.00 3.82 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 1.96 1.99 0.00 12 A 8.78 4.70 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 13 R 8.71 4.74 0.00 1.82 1.93 0.00 2.66 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.53 0.00 14 I 8.28 4.75 1.85 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 1.21 0.52 0.90 0.00 0.00 15 I 8.19 4.44 2.01 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 1.24 0.98 0.95 0.00 0.00 16 C 8.47 4.71 0.00 2.97 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 17 G 8.94 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 C 7.30 4.82 0.00 3.04 2.91 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 19 G 7.41 3.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 N 7.65 3.69 0.00 2.83 2.90 0.00 0.00 6.27 7.71 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 21 V 7.90 4.67 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 0.92 0.00 0.00 0.98 0.00 0.00 22 I 8.14 4.01 1.86 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 1.23 0.26 0.91 0.00 0.00 23 E 8.51 4.61 0.00 1.86 1.74 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 2.02 2.16 0.00 24 T 8.43 4.48 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 1.25 0.00 0.00 25 Y 9.66 5.32 0.00 2.83 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.88 5.12 0.00 4.05 3.70 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 27 T 8.59 4.58 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 1.21 0.00 0.00 28 K 8.65 3.72 0.00 2.03 1.81 0.00 1.67 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.27 1.42 7.81 29 P 0.00 4.24 0.00 2.18 2.07 0.00 3.60 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 2.10 2.27 0.00 30 E 7.49 4.72 0.00 1.79 1.78 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 2.27 2.29 0.00 31 I 7.85 3.99 1.91 0.00 0.00 0.72 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 0.87 0.84 0.00 0.00 32 Y 7.37 4.67 0.00 2.88 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 33 V 8.34 4.19 2.22 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 0.84 0.00 0.00 0.94 0.00 0.00 34 E 8.99 4.21 0.00 2.03 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 0.00 2.41 2.38 0.00 35 V 7.60 4.77 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 0.86 0.00 0.00 0.93 0.00 0.00 36 C 8.30 5.00 0.00 3.08 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.66 4.54 0.00 3.89 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 38 K 8.10 5.11 0.00 1.75 1.84 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.18 1.23 7.81 39 C 7.79 4.48 0.00 3.09 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 40 H 7.19 3.39 0.00 3.05 3.00 0.00 5.75 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.00 0.00 1.98 1.97 0.00 3.60 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.98 0.00 42 F 8.91 4.66 0.00 3.13 3.03 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 43 Y 9.29 3.58 0.00 3.20 3.32 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 44 T 7.46 3.40 4.11 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 0.00 0.00 0.00 1.34 0.00 0.00 45 G 8.25 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 0.00 0.00 0.00 46 Q 7.94 4.45 0.00 1.87 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.65 0.00 0.00 0.00 0.00 0.00 2.11 2.31 0.00 47 Q 8.32 4.27 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.01 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 48 R 7.95 4.87 0.00 1.81 1.87 0.00 3.40 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.54 0.00 49 F 8.71 4.86 0.00 2.90 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 50 V 7.60 3.32 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 0.74 0.00 0.00 0.48 0.00 0.00 51 D 9.51 5.06 0.00 2.90 3.27 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 52 T 7.64 3.98 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 1.20 0.00 0.00 53 E 8.05 4.22 0.00 1.95 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 0.00 2.27 2.21 0.00 54 G 8.45 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 0.00 0.00 0.00 0.00 55 R 7.55 4.64 0.00 1.72 1.87 0.00 3.22 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 56 V 8.36 4.21 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 0.79 0.00 0.00 0.98 0.00 0.00 57 E 7.90 5.78 0.00 2.06 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 2.06 2.09 0.00 *58 R 7.47 4.15 0.00 1.62 1.73 0.00 3.28 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.