NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9364 8.3393 109.7362 45.4744 0.0000 175.2371 3 S 4.0955 7.8726 114.5192 57.2794 64.7563 169.9518 4 V 3.6259 9.1735 123.5437 66.3055 31.5434 179.5261 5 E 3.9700 8.1004 118.0343 59.2415 29.3160 178.6059 6 D 4.3524 8.0019 118.7234 57.5865 40.8622 179.2021 7 R 3.9513 7.7898 117.9778 59.2586 30.1339 179.5106 8 V 3.6580 8.1641 112.4856 64.2219 31.5599 178.5861 9 T 4.0095 8.0968 116.0251 67.0626 68.3158 176.4920 10 Q 4.0245 8.2996 119.7839 58.9401 28.6760 178.8710 11 L 3.9930 8.1777 120.1912 57.7294 41.6276 179.3880 12 E 4.0780 8.4135 118.7884 58.9870 29.3410 179.3779 13 R 3.8264 7.7963 118.6745 59.5450 30.1794 178.5641 14 I 3.5983 7.8265 119.6946 64.4190 37.0083 178.3247 15 S 4.0206 8.4138 114.3261 61.4934 62.2038 175.8222 16 N 4.2876 8.3125 119.4845 56.2810 38.5571 176.7634 17 A 3.9830 7.9287 122.4056 55.5767 18.5368 179.3278 18 H 4.2159 8.4824 115.0199 59.0534 28.7562 178.1798 19 S 4.1400 8.3586 117.1428 61.7396 62.7173 176.8488 20 Q 3.9832 8.0964 120.5519 58.9194 28.4923 178.5853 21 L 3.9628 8.2173 121.6088 58.0945 42.0233 178.9614 22 L 3.9828 8.4564 119.2708 58.1222 41.5969 179.5303 23 T 3.8569 7.9558 115.5592 66.9345 68.3329 176.6534 24 Q 4.2016 8.0532 119.7503 58.8588 28.5908 178.6976 25 L 3.9698 8.0266 121.5127 58.1476 42.1397 179.0181 26 Q 3.9916 8.3305 118.3694 58.7979 28.6309 178.7645 27 Q 3.9766 8.1869 119.2295 59.1960 28.8097 178.7118 28 Q 4.0779 8.3808 119.1101 58.3353 28.6547 178.4899 29 L 3.9103 8.1751 122.0384 58.0997 42.0884 178.7515 30 S 4.0776 8.1477 113.0991 61.5253 62.2412 175.7522 31 D 4.3414 7.9741 121.2827 57.5948 40.5516 178.4085 32 N 4.3221 8.3142 117.3890 56.8904 38.9082 176.9090 33 Q 3.9877 8.5901 119.8987 58.8385 28.6589 178.8124 34 S 4.1038 8.3577 116.5350 61.7577 62.8236 176.4038 35 D 4.3470 8.4778 121.9045 57.3724 40.4510 178.7401 36 I 3.6852 7.9990 120.4942 64.7594 37.1987 178.1625 37 D 4.3464 8.0659 119.3805 57.4766 40.5321 179.1201 38 S 4.1247 8.3929 116.0168 61.5028 62.8388 176.5225 39 L 3.9427 8.2474 123.3634 57.8367 41.7779 178.8551 40 R 3.9759 8.3565 119.2853 59.3823 30.0536 178.6651 41 G 3.6147 7.9926 105.3240 47.9267 0.0000 175.4263 42 Q 3.9824 8.3081 122.4557 58.8028 29.0963 178.1451 43 I 3.6947 8.2026 121.2955 64.7023 37.1902 178.3361 44 Q 4.1003 8.0622 118.6868 58.9965 28.4936 178.6781 45 E 4.0034 8.2242 120.3039 59.0946 29.6788 178.2664 46 N 4.2995 8.4454 117.4051 56.7796 38.9506 176.5646 47 Q 3.9682 8.6634 121.3131 59.2718 29.1307 177.6600 48 Y 4.0048 8.0769 120.4901 60.9224 38.8932 178.1219 49 Q 4.0442 8.1960 118.9791 58.7312 28.6918 178.5533 50 L 3.8987 8.0647 121.4476 58.1532 42.2433 178.5305 51 N 4.2083 8.3022 116.7625 56.7114 38.5075 177.4096 52 Q 3.8444 7.7160 119.1029 58.7109 28.7040 178.7381 53 V 3.5416 7.8048 119.3807 65.9787 31.4921 178.1261 54 V 3.5338 7.9303 118.0786 66.1228 31.3129 177.6772 55 E 3.9021 8.0765 118.7495 59.1775 29.4346 178.7453 56 R 3.8910 8.1142 118.9333 59.1585 30.1130 178.3327 57 Q 3.9051 8.2774 119.6023 59.0716 29.1984 178.1002 58 K 3.8548 8.1092 119.5631 59.7242 32.2389 179.0748 59 Q 3.9753 8.0034 117.9261 59.1459 28.6546 178.9156 60 I 3.7001 8.0897 121.0214 64.7301 37.2184 178.5199 61 L 4.0289 8.5179 120.0216 57.4797 41.3586 179.5564 62 L 4.1978 7.9300 119.8960 58.7603 40.4536 179.3735 63 Q 3.9673 7.9760 118.4716 58.7821 28.6676 178.7336 64 I 3.6714 7.8922 120.7806 64.5221 36.9452 177.9879 65 D 4.4030 7.9164 118.5306 57.4065 40.7450 178.8978 66 S 4.2656 7.7580 113.1765 61.7209 63.1046 176.5003 67 L 4.0207 7.7444 123.9236 57.3855 41.3410 178.0648 *68 S 4.2705 7.7950 119.4778 58.2013 63.0192 178.0186 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 8.34 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 3 S 7.87 4.10 0.00 4.28 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 4 V 9.17 3.63 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 1.15 0.00 0.00 0.93 0.00 0.00 5 E 8.10 3.97 0.00 2.09 1.97 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 2.40 2.45 0.00 6 D 8.00 4.35 0.00 2.92 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 7.79 3.95 0.00 2.03 1.96 0.00 3.23 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 8 V 8.16 3.66 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 0.89 0.00 0.00 0.93 0.00 0.00 9 T 8.10 4.01 4.42 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 1.21 0.00 0.00 10 Q 8.30 4.02 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 11 L 8.18 3.99 0.00 1.88 1.70 0.92 0.77 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 12 E 8.41 4.08 0.00 2.23 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 2.32 2.30 0.00 13 R 7.80 3.83 0.00 2.04 2.08 0.00 3.09 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 14 I 7.83 3.60 1.80 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 1.36 0.69 0.70 0.00 0.00 15 S 8.41 4.02 0.00 3.89 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.31 4.29 0.00 2.88 2.97 0.00 0.00 7.11 7.70 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 17 A 7.93 3.98 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 18 H 8.48 4.22 0.00 3.35 3.34 0.00 5.65 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.36 4.14 0.00 4.01 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 8.10 3.98 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 21 L 8.22 3.96 0.00 1.76 1.84 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.46 3.98 0.00 1.92 1.70 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 23 T 7.96 3.86 4.39 0.00 0.00 0.00 0.00 0.00 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 24 Q 8.05 4.20 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.58 2.52 0.00 25 L 8.03 3.97 0.00 2.01 1.82 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.33 3.99 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 27 Q 8.19 3.98 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 28 Q 8.38 4.08 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 29 L 8.18 3.91 0.00 1.86 1.87 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.15 4.08 0.00 3.93 3.99 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 0.00 0.00 0.00 0.00 31 D 7.97 4.34 0.00 2.94 2.71 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 32 N 8.31 4.32 0.00 2.93 2.91 0.00 0.00 7.31 7.09 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 33 Q 8.59 3.99 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.68 0.00 34 S 8.36 4.10 0.00 4.03 3.91 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 35 D 8.48 4.35 0.00 2.82 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 8.00 3.69 2.04 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 1.52 0.83 0.91 0.00 0.00 37 D 8.07 4.35 0.00 2.89 2.71 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 38 S 8.39 4.12 0.00 3.85 3.91 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 39 L 8.25 3.94 0.00 1.79 1.74 0.92 1.16 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 40 R 8.36 3.98 0.00 2.03 2.05 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 41 G 7.99 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.31 3.98 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 43 I 8.20 3.69 2.02 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 1.53 0.48 0.92 0.00 0.00 44 Q 8.06 4.10 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 45 E 8.22 4.00 0.00 2.12 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 0.00 2.33 2.60 0.00 46 N 8.45 4.30 0.00 2.89 2.96 0.00 0.00 6.84 7.56 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 47 Q 8.66 3.97 0.00 2.34 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 48 Y 8.08 4.00 0.00 3.17 3.14 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 0.00 0.00 0.00 0.00 49 Q 8.20 4.04 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.48 2.74 0.00 50 L 8.06 3.90 0.00 2.00 1.72 0.91 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.30 4.21 0.00 2.74 2.74 0.00 0.00 7.08 7.42 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 52 Q 7.72 3.84 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.79 0.00 0.00 0.00 0.00 0.00 2.03 1.69 0.00 53 V 7.80 3.54 2.16 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 1.04 0.00 0.00 0.95 0.00 0.00 54 V 7.93 3.53 2.18 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 0.91 0.00 0.00 0.96 0.00 0.00 55 E 8.08 3.90 0.00 2.32 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 2.27 2.33 0.00 56 R 8.11 3.89 0.00 1.94 2.03 0.00 3.19 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 57 Q 8.28 3.91 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.52 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 58 K 8.11 3.85 0.00 1.96 1.85 0.00 1.89 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.64 7.81 59 Q 8.00 3.98 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 60 I 8.09 3.70 1.98 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 1.51 0.58 0.90 0.00 0.00 61 L 8.52 4.03 0.00 1.80 1.71 0.91 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.93 4.20 0.00 1.95 1.92 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 7.98 3.97 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.63 0.00 64 I 7.89 3.67 1.99 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 1.52 0.75 0.91 0.00 0.00 65 D 7.92 4.40 0.00 2.84 2.74 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 0.00 0.00 0.00 66 S 7.76 4.27 0.00 4.04 3.99 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 0.00 0.00 0.00 0.00 67 L 7.74 4.02 0.00 1.79 1.78 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 *68 S 7.80 4.27 0.00 3.75 3.67 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.