NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.3129 8.3149 121.8056 56.2188 33.1445 174.9698 5 E 4.3900 8.5503 125.6180 55.1820 31.3670 173.9325 6 W 5.3250 8.5762 122.7384 53.9428 29.8240 173.0080 7 P 4.5742 0.0000 0.0000 62.2639 32.9422 175.7726 8 L 4.6989 8.3182 122.6044 54.6709 43.6380 175.3633 9 W 5.2631 9.3323 124.8245 55.0028 33.2087 174.0804 10 E 5.0534 9.8103 123.6202 54.8894 31.6367 175.0902 11 V 5.0141 8.5568 123.3855 61.1163 34.6699 174.1013 12 F 5.3213 9.4361 126.2170 55.6494 42.2772 174.4085 13 V 4.8075 9.0593 122.8370 60.9691 35.0295 174.0261 14 R 4.7550 8.6156 128.1132 54.2376 32.2898 175.5768 15 S 4.5585 8.4957 121.0724 57.3724 64.2938 174.8569 16 K 3.9420 8.7211 121.8880 58.9681 31.7953 177.8053 17 Q 4.0188 8.1009 117.7237 58.7284 29.1791 176.5880 18 G 3.8445 7.6100 105.7822 45.3246 0.0000 173.0878 19 L 4.5929 7.6216 118.1045 54.4047 43.0693 176.5925 20 E 4.6992 7.4879 114.9719 54.7601 32.6897 174.6150 21 H 4.1994 8.5271 118.8659 55.8957 29.4133 174.8158 22 K 4.6770 8.9712 123.7743 54.6400 34.4213 175.5231 23 H 4.4329 9.0607 124.9129 56.4208 30.2194 174.3615 24 C 4.4596 9.5697 118.5781 56.8838 31.2353 174.8511 25 G 3.7281 5.9697 106.8249 45.4200 0.0000 171.3020 26 S 5.7921 8.2020 113.1419 56.1853 66.1434 173.2928 27 L 4.8079 8.4846 120.1058 55.0932 43.8774 173.7892 28 H 5.6845 8.9510 117.0845 55.3034 30.0742 174.3941 29 A 4.7786 9.0833 122.9736 51.1217 21.9195 176.7115 30 T 3.7400 8.8663 109.9009 63.5013 69.3074 174.5676 31 D 4.8095 7.2510 120.1058 51.1402 43.4393 175.6443 32 A 2.7627 8.3374 120.3802 55.0088 18.2411 179.7698 33 Q 3.7765 7.7900 116.1119 58.9485 28.6487 178.4614 34 Q 3.8694 8.8258 120.0913 59.0435 29.1527 177.6562 35 A 3.8598 7.2395 120.7065 54.9844 18.4066 179.4125 36 L 4.0898 7.5938 117.2795 58.1217 41.6319 180.6116 37 H 4.5012 7.8635 113.6366 56.1139 28.4038 177.3613 *39 A 4.2693 7.9570 125.3764 52.3483 20.1295 179.9308 40 R 3.9029 8.2342 116.1032 59.5462 30.3909 178.2604 41 D 4.3355 7.9323 116.3575 56.6419 41.3507 177.1480 42 V 3.9348 7.4952 116.4757 62.4409 32.3948 175.9488 43 Y 4.7934 7.9739 115.6927 57.6207 39.1806 174.6475 44 T 4.7712 7.5235 108.2508 59.9534 72.1132 173.7750 45 R 4.6039 8.3569 117.9086 56.3624 30.3125 176.0953 46 R 3.8332 7.5169 109.5302 57.3004 28.7012 177.1333 47 Q 4.4535 7.9297 114.7422 54.3024 30.2446 176.1049 48 E 3.8826 8.5768 121.7346 58.2871 29.5438 177.3255 49 G 3.8894 9.1924 111.1839 45.1958 0.0000 171.9166 50 V 4.4861 7.4752 118.9378 61.3556 32.8773 174.9207 51 S 4.7833 8.6466 122.9354 56.9318 64.0689 172.5125 52 I 5.0598 8.5158 127.4106 59.3732 39.6198 174.7684 53 W 5.1906 9.6800 126.5950 55.0991 31.8267 175.1616 54 V 5.2240 8.6651 116.7458 59.8004 34.1900 175.3576 55 V 4.7125 9.1135 123.2172 60.5835 35.2150 172.9336 56 P 4.0811 0.0000 0.0000 62.3824 32.0747 177.3039 57 S 4.1165 8.4954 119.5356 61.9627 62.9866 177.0535 58 T 3.8158 7.8131 108.6455 64.4220 68.3566 175.0816 59 A 4.0849 7.8444 124.1734 54.0550 18.6793 177.5337 60 I 4.1506 7.4577 117.2981 60.8500 37.9839 175.3706 61 T 4.5029 8.4515 121.0697 61.6442 70.5369 173.5556 62 A 4.7970 8.2797 128.8678 49.9212 21.4732 176.3608 63 S 4.2791 8.3414 114.6035 57.7771 63.9470 174.2224 64 A 4.1866 8.2852 125.8801 51.3413 18.9905 175.8661 65 P 4.4334 0.0000 0.0000 62.8667 31.3767 176.5587 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 4 K 8.31 4.31 0.00 1.84 2.01 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.48 7.81 5 E 8.55 4.39 0.00 2.05 1.91 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 2.41 2.38 0.00 6 W 8.58 5.32 0.00 3.10 3.29 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 7 P 0.00 4.57 0.00 1.76 2.09 0.00 4.06 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 1.98 0.00 8 L 8.32 4.70 0.00 1.79 1.49 0.79 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 9 W 9.33 5.26 0.00 3.44 3.20 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 0.00 0.00 0.00 0.00 10 E 9.81 5.05 0.00 2.02 1.75 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 2.31 2.45 0.00 11 V 8.56 5.01 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 1.12 0.00 0.00 1.11 0.00 0.00 12 F 9.44 5.32 0.00 3.14 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 13 V 9.06 4.81 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 0.95 0.00 0.00 0.90 0.00 0.00 14 R 8.62 4.76 0.00 1.11 1.23 0.00 3.02 0.00 0.00 2.97 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.47 0.00 15 S 8.50 4.56 0.00 4.01 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 16 K 8.72 3.94 0.00 2.11 1.89 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 0.99 7.81 17 Q 8.10 4.02 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 18 G 7.61 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 19 L 7.62 4.59 0.00 1.71 1.67 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 20 E 7.49 4.70 0.00 1.86 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 2.13 2.26 0.00 21 H 8.53 4.20 0.00 2.41 3.02 0.00 5.87 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.97 4.68 0.00 1.63 1.70 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.32 7.81 23 H 9.06 4.43 0.00 3.19 3.18 0.00 5.69 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 C 9.57 4.46 0.00 2.55 2.68 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 0.00 0.00 0.00 0.00 25 G 5.97 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.20 5.79 0.00 3.89 4.02 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 27 L 8.48 4.81 0.00 1.85 1.86 1.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.95 5.68 0.00 3.33 3.81 0.00 5.92 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 9.08 4.78 1.07 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 30 T 8.87 3.74 3.93 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 0.07 0.00 0.00 31 D 7.25 4.81 0.00 2.90 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 32 A 8.34 2.76 1.26 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 0.00 0.00 33 Q 7.79 3.78 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 34 Q 8.83 3.87 0.00 1.90 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.94 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 35 A 7.24 3.86 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.59 4.09 0.00 1.68 1.61 0.87 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 37 H 7.86 4.50 0.00 3.17 3.27 0.00 5.66 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *39 A 7.96 4.27 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.23 3.90 0.00 1.87 2.03 0.00 3.13 0.00 0.00 3.11 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 41 D 7.93 4.34 0.00 2.71 2.63 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 42 V 7.50 3.93 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 -0.41 0.00 0.00 0.75 0.00 0.00 43 Y 7.97 4.79 0.00 3.10 2.88 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 44 T 7.52 4.77 4.43 0.00 0.00 0.00 0.00 0.00 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 45 R 8.36 4.60 0.00 1.79 1.92 0.00 3.52 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 46 R 7.52 3.83 0.00 1.88 2.00 0.00 3.15 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 47 Q 7.93 4.45 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.38 6.89 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 48 E 8.58 3.88 0.00 1.95 1.91 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 2.32 2.32 0.00 49 G 9.19 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 0.00 0.00 0.00 50 V 7.48 4.49 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 0.78 0.00 0.00 0.92 0.00 0.00 51 S 8.65 4.78 0.00 3.96 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.52 5.06 1.96 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 1.40 0.83 1.03 0.00 0.00 53 W 9.68 5.19 0.00 3.37 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 54 V 8.67 5.22 2.26 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 0.71 0.00 0.00 0.84 0.00 0.00 55 V 9.11 4.71 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 1.04 0.00 0.00 1.21 0.00 0.00 56 P 0.00 4.08 0.00 1.95 1.32 0.00 3.66 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.24 0.00 57 S 8.50 4.12 0.00 3.82 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 58 T 7.81 3.82 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 59 A 7.84 4.08 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 60 I 7.46 4.15 2.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.66 0.95 0.00 0.00 61 T 8.45 4.50 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 1.21 0.00 0.00 62 A 8.28 4.80 1.23 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 63 S 8.34 4.28 0.00 3.99 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 64 A 8.29 4.19 1.26 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 0.00 0.00 65 P 0.00 4.43 0.00 2.06 1.98 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.