NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9306 8.3549 109.7368 45.1877 0.0000 174.4836 3 K 3.9757 8.3809 118.2826 54.6246 33.9335 171.2552 4 V 4.4823 8.6227 121.9493 61.4200 35.5296 173.5417 5 Y 4.9812 8.8552 124.4154 56.1744 40.8036 174.7123 6 K 4.4934 8.1963 122.6779 54.4924 35.2532 174.7577 7 K 5.0163 8.4680 125.0865 54.6162 34.5018 175.6917 8 V 4.4482 8.6621 123.7415 61.0351 34.9953 173.7090 9 E 4.9791 8.8912 128.5989 55.1089 30.3032 174.7766 10 L 4.8569 8.9928 127.2121 52.8501 45.7860 176.1125 11 V 4.5940 8.2965 120.4972 61.1537 33.3851 174.9451 12 G 4.5241 8.9179 116.3711 45.1708 0.0000 171.5394 13 T 5.3685 8.1800 113.5971 60.1652 72.0649 173.0641 14 S 4.6713 8.7624 115.4609 57.9260 65.9039 175.3593 15 E 4.7401 8.9403 123.7783 57.0753 30.1315 177.7206 16 E 4.1849 8.2714 118.5987 57.7309 30.2329 176.3729 17 G 3.4288 7.1838 104.7897 43.9757 0.0000 173.7798 18 L 3.7730 7.3279 118.2241 57.7848 41.4279 179.4956 19 E 3.8950 8.0373 117.7718 59.4824 29.4538 179.2098 20 A 3.9258 7.9001 119.9535 54.9022 18.4778 179.4513 21 A 3.9346 7.7906 119.1909 55.3361 18.4778 179.9271 22 I 3.5052 7.6535 118.3418 64.6706 37.0824 178.7630 23 Q 3.9000 8.2439 118.7485 58.6101 28.5253 178.6768 24 A 3.9086 8.0908 121.6858 55.0832 18.4644 179.4983 25 A 3.8862 7.8228 118.6735 55.4536 18.5502 179.7815 26 L 3.8807 7.8296 117.2256 57.6387 41.3945 179.5843 27 A 3.9746 7.9982 120.5140 54.9774 18.4205 179.3930 28 R 3.9225 7.9001 116.6570 59.3533 30.1846 178.4429 29 A 3.8765 8.0015 120.6589 55.2727 16.9114 179.6250 30 R 3.9709 7.9871 116.9327 59.3175 29.8398 178.8658 31 K 4.2397 7.6916 117.6517 58.7436 32.0123 177.8553 32 T 4.4110 7.2384 113.2284 63.3310 71.0523 174.1230 33 L 4.4748 8.0063 120.2070 52.7585 43.6094 175.9401 34 R 4.5051 7.9405 120.0995 55.4952 33.0122 174.9261 35 H 4.1745 8.4598 113.3424 56.7688 26.1703 175.2297 36 L 4.5008 8.1457 118.8185 55.5033 42.1073 175.6611 37 D 5.2117 9.3097 122.6744 55.1878 42.9978 176.3125 38 W 5.5835 7.8985 113.4140 54.9835 32.0834 172.9706 39 F 5.4220 8.5221 114.1650 55.3405 41.1673 173.8533 40 E 4.6906 9.3584 118.9337 54.7012 33.3426 174.9656 41 V 4.1622 8.6973 125.4032 62.9432 31.7164 175.5322 42 K 4.4978 9.3270 128.5729 58.5547 33.0406 176.7896 43 E 4.7993 7.8313 115.0391 55.4139 32.8908 174.0493 44 I 4.8898 8.3642 121.2261 59.9748 39.7796 174.9492 45 R 4.7425 9.4130 126.2606 55.1272 34.7649 174.0814 46 G 4.4043 7.8146 106.6196 47.2777 0.0000 172.0117 47 T 4.8038 7.7961 109.7235 59.8562 71.9483 173.3689 48 I 4.7625 8.2574 122.6062 59.8063 39.7599 175.4418 49 G 4.3261 8.7702 116.4069 43.9829 0.0000 172.5743 50 E 3.8322 8.9301 118.5439 58.5310 29.8015 178.2470 51 A 4.6717 8.0168 119.7814 51.8239 20.5790 176.4000 52 G 4.0129 7.3838 108.7559 45.2129 0.0000 176.9926 53 V 3.8170 8.2391 124.2592 62.8288 32.0798 174.3399 54 K 4.3457 8.8166 127.7589 57.5453 34.2577 175.4538 55 E 4.6290 7.5525 120.0215 54.6128 33.0393 173.7182 56 Y 4.6106 9.3050 125.5100 57.8990 39.8046 174.9553 57 Q 4.8388 9.2776 121.7460 54.4303 32.7307 174.5251 58 V 4.5843 8.7802 126.4309 61.1353 33.1437 174.9443 59 V 4.3742 8.6389 129.7990 62.5257 32.7949 174.6456 60 L 5.1973 9.0740 129.2372 53.5780 45.9647 174.2750 61 E 5.0538 9.5516 125.8154 54.7379 31.9809 174.8671 62 V 4.5176 8.8916 125.1269 60.9980 34.0533 174.2744 63 G 3.2081 8.2383 115.9576 43.9949 0.0000 172.3437 64 F 5.6621 8.3926 118.5901 54.8620 41.9525 173.7172 65 R 4.0456 8.8798 121.9029 56.1379 30.4642 176.0747 66 L 4.3848 8.2798 127.1032 54.5021 42.3819 177.1037 67 E 4.1104 8.7866 122.4190 56.6198 30.4451 176.3760 68 E 3.7022 8.4464 123.4994 56.6606 28.7315 175.7266 *69 T 4.1515 8.2346 110.2654 61.2778 69.2274 173.2095 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 G 8.35 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 0.00 0.00 0.00 0.00 3 K 8.38 3.98 0.00 1.80 1.41 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.50 7.81 4 V 8.62 4.48 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 1.08 0.00 0.00 0.91 0.00 0.00 5 Y 8.86 4.98 0.00 3.01 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 6 K 8.20 4.49 0.00 1.44 0.74 0.00 1.58 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.17 1.26 7.81 7 K 8.47 5.02 0.00 1.64 1.65 0.00 2.05 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.12 1.34 7.81 8 V 8.66 4.45 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 1.04 0.00 0.00 1.08 0.00 0.00 9 E 8.89 4.98 0.00 2.03 1.86 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 2.23 2.45 0.00 10 L 8.99 4.86 0.00 1.55 1.48 0.87 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.30 4.59 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 0.81 0.00 0.00 0.94 0.00 0.00 12 G 8.92 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.18 5.37 4.36 0.00 0.00 0.00 0.00 0.00 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 14 S 8.76 4.67 0.00 3.91 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 15 E 8.94 4.74 0.00 2.03 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 2.41 2.30 0.00 16 E 8.27 4.18 0.00 1.98 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 2.34 2.40 0.00 17 G 7.18 3.43 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 0.00 0.00 0.00 0.00 18 L 7.33 3.77 0.00 1.54 1.63 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.04 3.89 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 20 A 7.90 3.93 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 21 A 7.79 3.93 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.65 3.51 1.87 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.60 0.39 0.00 0.00 23 Q 8.24 3.90 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 24 A 8.09 3.91 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 25 A 7.82 3.89 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 26 L 7.83 3.88 0.00 1.60 1.63 0.54 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.00 3.97 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 28 R 7.90 3.92 0.00 1.92 2.04 0.00 3.12 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 29 A 8.00 3.88 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 30 R 7.99 3.97 0.00 1.92 2.12 0.00 3.08 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 31 K 7.69 4.24 0.00 1.85 1.82 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.64 7.81 32 T 7.24 4.41 4.16 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 1.10 0.00 0.00 33 L 8.01 4.47 0.00 1.27 0.79 0.40 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.94 4.51 0.00 1.68 1.47 0.00 3.29 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.52 0.00 35 H 8.46 4.17 0.00 3.65 3.49 0.00 5.62 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.15 4.50 0.00 1.66 1.66 0.85 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.31 5.21 0.00 3.10 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 38 W 7.90 5.58 0.00 3.26 3.19 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 0.00 39 F 8.52 5.42 0.00 3.01 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 40 E 9.36 4.69 0.00 1.97 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 2.43 2.50 0.00 41 V 8.70 4.16 2.17 0.00 0.00 0.00 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 1.13 0.00 0.00 42 K 9.33 4.50 0.00 1.78 1.87 0.00 1.85 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.56 7.81 43 E 7.83 4.80 0.00 2.02 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 2.29 2.35 0.00 44 I 8.36 4.89 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.73 1.00 0.00 0.00 45 R 9.41 4.74 0.00 1.70 1.82 0.00 3.41 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 46 G 7.81 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 0.00 0.00 0.00 0.00 47 T 7.80 4.80 4.20 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 1.18 0.00 0.00 48 I 8.26 4.76 1.84 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 1.22 0.63 0.92 0.00 0.00 49 G 8.77 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.93 3.83 0.00 1.93 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 2.28 2.30 0.00 51 A 8.02 4.67 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 52 G 7.38 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.24 3.82 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 -0.35 0.00 0.00 0.72 0.00 0.00 54 K 8.82 4.35 0.00 1.89 1.78 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.76 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.32 7.81 55 E 7.55 4.63 0.00 2.12 1.67 0.00 0.00 0.00 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 2.28 0.00 56 Y 9.30 4.61 0.00 3.09 2.83 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 0.00 0.00 0.00 57 Q 9.28 4.84 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 58 V 8.78 4.58 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 0.95 0.00 0.00 0.95 0.00 0.00 59 V 8.64 4.37 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 0.95 0.00 0.00 60 L 9.07 5.20 0.00 1.91 1.53 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.55 5.05 0.00 1.94 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 2.25 2.25 0.00 62 V 8.89 4.52 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 0.93 0.00 0.00 0.89 0.00 0.00 63 G 8.24 3.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.39 5.66 0.00 3.35 3.01 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 0.00 0.00 0.00 65 R 8.88 4.05 0.00 1.91 1.93 0.00 3.07 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.13 0.00 66 L 8.28 4.38 0.00 1.60 1.55 0.85 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.79 4.11 0.00 2.00 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 2.36 2.44 0.00 68 E 8.45 3.70 0.00 2.13 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 2.20 2.29 0.00 *69 T 8.23 4.15 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 * Residues marked with a * may have inaccurate shift predictions.