NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4335 8.2893 120.3261 54.3973 33.8015 174.9275 2 P 4.1910 0.0000 0.0000 66.9645 29.7011 174.8988 3 R 3.5521 7.0561 119.0191 52.5941 31.2422 177.2905 4 L 4.8444 10.3643 122.6948 52.8597 44.7813 175.5585 5 K 4.7479 9.8965 125.8586 54.8654 34.0588 174.4033 6 V 4.6893 8.2934 120.5450 59.2496 34.2066 174.7907 7 K 4.6401 8.9847 126.3147 54.2882 34.7612 175.7732 8 L 5.0571 8.0062 131.5456 52.9664 40.3448 177.0042 9 V 4.3443 7.2837 113.2561 60.2509 32.6159 177.1230 10 K 4.1176 8.1360 119.9489 56.2465 32.7333 173.7196 11 S 3.8409 8.1266 119.7997 56.1521 63.8764 172.3495 12 P 4.1183 0.0000 0.0000 66.0718 31.5744 175.7763 13 I 3.5226 6.8349 128.6071 62.4281 35.3944 175.6517 14 G 4.6032 8.4368 121.8989 46.7100 0.0000 171.5571 15 Y 4.1398 7.8169 118.2614 56.0837 37.3498 174.4900 16 P 4.3775 0.0000 0.0000 62.7558 32.4344 177.7118 17 K 3.8886 8.4637 116.9843 59.9292 31.9785 179.2530 18 D 4.4738 8.2397 118.8324 56.6821 38.7600 178.8678 19 Q 4.0325 7.6104 119.3256 58.8801 28.4032 178.2047 20 K 4.0774 7.8726 116.5218 57.5790 31.7936 177.8438 21 A 4.6816 7.4470 119.8805 51.8516 20.0040 177.2211 22 A 4.4039 8.8585 121.4506 52.8858 19.6187 179.1882 23 L 4.3485 7.5192 116.8139 56.1837 42.5576 178.2189 24 K 4.0867 7.5060 114.0458 57.2277 31.5480 176.1305 25 A 4.5517 7.4480 117.6271 54.0356 21.0935 178.4016 26 L 4.0137 7.6409 113.7952 59.0415 42.1496 178.8385 27 G 3.6871 7.5093 105.9392 46.3179 0.0000 175.3495 28 L 4.6431 7.5778 119.9351 52.6471 43.7743 177.9171 29 R 4.3577 8.3857 130.1171 55.5510 28.5636 180.9979 30 R 3.8307 8.9653 127.3650 56.4710 30.8267 174.9189 31 L 4.2269 8.2121 119.9560 55.1833 42.9001 176.2079 32 Q 3.4124 8.2051 118.0265 56.5921 27.0764 173.6200 33 Q 4.4771 7.6228 120.9161 54.7815 29.6597 174.8532 34 E 4.6228 8.6240 124.9008 55.7404 31.7405 175.7633 35 R 4.6068 9.0333 120.6666 54.9053 33.8837 173.9686 36 V 4.6628 8.4178 119.6421 60.4490 32.6007 175.2017 37 L 4.5031 9.5738 125.3586 53.5128 46.9928 175.3788 38 E 4.3594 8.4509 117.7323 57.2628 29.4979 176.6952 39 D 4.7301 8.1267 114.5757 53.8473 41.3127 176.1248 40 T 4.3210 7.6595 109.1020 60.2744 70.4477 173.3894 41 P 4.1908 0.0000 0.0000 65.7711 31.7242 176.9523 42 A 4.0345 8.0499 121.7522 52.8495 18.1523 179.4719 43 I 3.6039 7.8672 121.8295 63.3489 38.2701 177.5745 44 R 3.9980 8.1274 120.3496 58.9379 30.5602 178.7999 45 G 3.7952 8.2929 106.1974 49.0134 0.0000 174.3752 46 N 4.4630 8.1820 114.4353 54.4195 39.1606 175.2964 47 V 4.1667 7.9690 117.0036 64.9683 32.8953 177.0777 48 E 3.9773 7.9659 117.7506 59.3708 29.2030 179.0059 49 K 4.4419 8.0790 114.4377 57.5943 32.0102 177.6453 50 V 3.9556 7.9490 107.4331 61.4931 35.1748 176.0159 51 A 3.7103 7.9171 124.6644 54.6064 18.2749 178.3994 52 H 4.6188 7.3758 109.3733 56.4616 29.6439 175.6833 53 L 4.7612 8.7686 120.6203 54.1351 43.5036 175.8374 54 V 5.4420 7.5312 116.9102 61.8330 35.1276 174.2671 55 R 4.4634 8.3715 124.5084 54.4946 31.7665 176.1317 56 V 4.3055 8.2165 124.5118 61.3214 33.1549 174.3672 57 E 5.3714 7.8817 127.6186 56.3263 32.0660 176.1049 58 V 4.5389 8.1141 126.5439 60.8044 30.9324 175.0620 59 V 3.9909 7.9493 128.7550 61.6608 33.7685 175.8581 *60 E 4.1603 8.4640 117.2651 56.0886 30.3181 173.3625 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 8.29 4.43 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 2 P 0.00 4.19 0.00 2.25 2.12 0.00 3.78 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 1.99 2.05 0.00 3 R 7.06 3.55 0.00 2.06 2.02 0.00 3.25 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.65 0.00 4 L 10.36 4.84 0.00 1.88 1.54 1.02 0.59 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 5 K 9.90 4.75 0.00 1.59 1.78 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.51 7.81 6 V 8.29 4.69 2.05 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 0.58 0.00 0.00 0.96 0.00 0.00 7 K 8.98 4.64 0.00 1.74 1.61 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.33 7.81 8 L 8.01 5.06 0.00 1.69 1.62 1.03 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.28 4.34 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 0.80 0.00 0.00 0.91 0.00 0.00 10 K 8.14 4.12 0.00 1.62 1.61 0.00 1.84 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.34 7.81 11 S 8.13 3.84 0.00 3.88 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 12 P 0.00 4.12 0.00 2.24 2.22 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 13 I 6.83 3.52 1.89 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 1.36 0.53 0.93 0.00 0.00 14 G 8.44 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.82 4.14 0.00 2.92 2.99 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 16 P 0.00 4.38 0.00 2.30 2.07 0.00 3.91 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 2.16 2.21 0.00 17 K 8.46 3.89 0.00 1.78 1.86 0.00 1.72 0.00 0.00 1.89 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.45 7.81 18 D 8.24 4.47 0.00 2.88 2.97 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 19 Q 7.61 4.03 0.00 2.48 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 20 K 7.87 4.08 0.00 1.84 1.85 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 3.39 0.00 0.00 0.00 0.00 1.48 1.68 7.81 21 A 7.45 4.68 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 22 A 8.86 4.40 1.33 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 23 L 7.52 4.35 0.00 1.67 1.67 0.86 0.80 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 24 K 7.51 4.09 0.00 1.96 1.80 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.38 7.81 25 A 7.45 4.55 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 26 L 7.64 4.01 0.00 1.70 1.74 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.51 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.58 4.64 0.00 1.59 1.61 0.89 0.98 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 29 R 8.39 4.36 0.00 1.74 1.17 0.00 3.20 0.00 0.00 3.22 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 30 R 8.97 3.83 0.00 1.78 1.94 0.00 3.19 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 31 L 8.21 4.23 0.00 1.66 1.51 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.21 3.41 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.61 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 33 Q 7.62 4.48 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.85 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 34 E 8.62 4.62 0.00 2.09 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 2.23 2.29 0.00 35 R 9.03 4.61 0.00 1.79 1.73 0.00 3.06 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 36 V 8.42 4.66 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 0.75 0.00 0.00 0.92 0.00 0.00 37 L 9.57 4.50 0.00 1.46 1.51 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.45 4.36 0.00 1.93 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 2.32 2.39 0.00 39 D 8.13 4.73 0.00 2.55 2.53 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 40 T 7.66 4.32 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 41 P 0.00 4.19 0.00 2.06 2.20 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 42 A 8.05 4.03 1.24 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 0.00 0.00 0.00 43 I 7.87 3.60 1.87 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 1.41 0.83 0.90 0.00 0.00 44 R 8.13 4.00 0.00 2.05 1.94 0.00 3.15 0.00 0.00 3.17 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 45 G 8.29 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.18 4.46 0.00 2.69 2.83 0.00 0.00 6.72 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 47 V 7.97 4.17 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 1.06 0.00 0.00 0.96 0.00 0.00 48 E 7.97 3.98 0.00 2.10 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 2.60 2.33 0.00 49 K 8.08 4.44 0.00 1.73 1.83 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.51 1.55 7.81 50 V 7.95 3.96 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 0.63 0.00 0.00 0.92 0.00 0.00 51 A 7.92 3.71 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 52 H 7.38 4.62 0.00 3.31 3.52 0.00 5.67 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.77 4.76 0.00 1.22 1.59 0.61 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.53 5.44 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 0.88 0.00 0.00 0.86 0.00 0.00 55 R 8.37 4.46 0.00 1.77 1.83 0.00 3.17 0.00 0.00 3.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 56 V 8.22 4.31 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 0.85 0.00 0.00 0.91 0.00 0.00 57 E 7.88 5.37 0.00 2.20 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 58 V 8.11 4.54 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 1.08 0.00 0.00 0.93 0.00 0.00 59 V 7.95 3.99 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 0.93 0.00 0.00 *60 E 8.46 4.16 0.00 1.77 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.