NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.2779 8.3449 121.7109 55.8392 30.2274 174.0775 3 V 4.2240 8.3149 118.1500 59.0810 33.8401 170.0162 4 V 4.2651 8.9721 118.9538 59.4679 34.0528 175.3984 5 R 4.1750 8.5866 124.7905 55.8377 30.1497 175.9800 6 T 4.4225 8.3106 113.6452 60.0238 70.4113 174.4546 7 K 4.4612 8.3405 123.2583 54.5003 33.7774 175.6513 8 N 4.5752 8.6958 122.5043 52.8548 39.1180 175.1248 9 V 4.3335 8.0997 121.9060 61.1716 34.6914 174.6022 10 T 4.2693 8.3349 120.9386 60.1255 67.0251 173.9658 11 L 4.0311 8.5095 129.4741 55.6414 41.7358 177.0504 12 K 4.8381 8.7192 123.3247 53.8465 35.0676 174.0538 13 P 4.7895 0.0000 0.0000 62.6178 32.5402 175.2921 *15 D 4.5122 8.4877 120.7104 52.9470 40.6446 176.7046 16 V 3.8564 8.2239 112.3007 64.7105 31.2786 178.3504 17 E 3.9226 8.0821 118.3149 58.9782 29.1990 178.2830 18 E 3.7756 8.1993 118.5043 59.5210 29.8917 178.5628 19 A 3.6646 8.0758 120.8101 55.1450 18.1319 179.6451 20 R 3.7818 7.8084 116.0487 59.2980 30.5550 178.2047 21 L 4.0102 7.8255 120.3034 57.4856 42.2467 177.1507 22 Q 4.0275 7.2292 118.2422 55.9911 29.4706 178.0595 *24 E 4.1448 8.0970 120.0299 56.5531 31.0907 177.9558 25 L 3.8606 6.7014 115.4264 58.2066 41.9547 178.7424 26 L 3.8496 8.1470 120.8386 55.7670 41.8627 177.8315 27 G 3.8635 7.4323 105.9734 46.9354 0.0000 173.2510 28 H 4.9853 7.9024 114.5126 54.0055 31.4061 174.2234 29 D 5.0675 8.5662 120.5253 54.4557 41.7929 175.5203 30 F 6.0363 7.3470 112.5173 56.9639 41.3246 173.4428 31 F 4.5962 8.8696 117.9826 57.7149 42.2697 172.2816 32 I 4.9122 7.8697 127.0554 59.9631 39.8095 174.0935 33 Y 4.5861 8.2465 122.3973 57.5708 41.5707 173.6703 34 T 4.5887 7.6385 116.7157 63.3549 72.2885 172.3749 *41 T 5.1286 8.0258 107.4730 62.7105 68.8141 171.4054 42 N 4.6717 8.4754 125.8803 52.5021 41.3473 174.1256 43 I 5.5437 7.8847 123.8684 58.1289 40.2013 173.8459 44 L 4.9225 8.7775 129.8334 55.0355 43.5034 174.9329 45 Y 5.5191 9.0801 123.4029 55.9360 41.8923 175.1028 46 R 4.4618 8.7736 121.9078 56.5478 32.2432 177.2206 47 R 3.8016 9.0274 116.4059 56.8030 29.4738 176.9344 48 E 3.9152 9.6674 127.3804 58.3621 28.7465 176.0192 49 D 4.4119 9.3499 116.4987 55.6438 40.3961 176.7825 50 G 3.6146 7.1755 106.7118 45.0764 0.0000 172.3228 51 N 5.1255 7.9676 116.6410 50.8890 43.3770 174.0044 52 L 4.0793 8.6239 119.1945 56.0324 42.2864 177.6773 53 G 3.8000 8.7552 109.2469 44.5191 0.0000 171.3415 54 L 4.8518 8.3888 127.0193 53.0527 41.3386 175.8494 55 I 3.9499 8.4010 127.6117 60.9943 38.6115 176.3911 56 E 4.0691 8.7620 124.3832 56.7070 29.4411 176.6286 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 Q 8.34 4.28 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.65 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 3 V 8.31 4.22 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 0.77 0.00 0.00 0.93 0.00 0.00 4 V 8.97 4.27 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 0.73 0.00 0.00 0.93 0.00 0.00 5 R 8.59 4.17 0.00 1.79 1.90 0.00 3.25 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 6 T 8.31 4.42 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 1.27 0.00 0.00 7 K 8.34 4.46 0.00 1.76 1.80 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.44 7.81 8 N 8.70 4.58 0.00 2.72 2.77 0.00 0.00 6.86 7.68 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 9 V 8.10 4.33 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 0.82 0.00 0.00 0.97 0.00 0.00 10 T 8.33 4.27 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 1.23 0.00 0.00 11 L 8.51 4.03 0.00 1.54 1.64 0.86 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.72 4.84 0.00 1.75 1.76 0.00 1.71 0.00 0.00 1.91 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.72 1.40 7.81 13 P 0.00 4.79 0.00 2.14 2.10 0.00 3.85 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 *15 D 8.49 4.51 0.00 2.88 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 16 V 8.22 3.86 2.13 0.00 0.00 0.00 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 0.95 0.00 0.00 17 E 8.08 3.92 0.00 2.01 1.92 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 2.48 2.28 0.00 18 E 8.20 3.78 0.00 1.86 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 0.00 2.22 2.30 0.00 19 A 8.08 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.81 3.78 0.00 1.84 2.13 0.00 3.24 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 21 L 7.83 4.01 0.00 1.80 1.68 0.85 0.58 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 22 Q 7.23 4.03 0.00 0.96 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.17 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 *24 E 8.10 4.14 0.00 1.94 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 2.42 2.22 0.00 25 L 6.70 3.86 0.00 1.79 1.59 0.82 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.15 3.85 0.00 1.48 1.40 1.08 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.43 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 0.00 0.00 0.00 28 H 7.90 4.99 0.00 2.96 2.58 0.00 5.69 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.57 5.07 0.00 2.81 2.82 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 0.00 0.00 0.00 30 F 7.35 6.04 0.00 3.11 3.10 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 0.00 0.00 0.00 31 F 8.87 4.60 0.00 3.12 3.05 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 0.00 0.00 0.00 0.00 32 I 7.87 4.91 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.03 0.80 0.00 0.00 33 Y 8.25 4.59 0.00 3.36 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 34 T 7.64 4.59 4.21 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 1.21 0.00 0.00 *41 T 8.03 5.13 4.17 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 0.00 0.00 0.00 1.16 0.00 0.00 42 N 8.48 4.67 0.00 1.57 2.07 0.00 0.00 6.76 6.84 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 43 I 7.88 5.54 1.96 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.96 1.09 0.00 0.00 44 L 8.78 4.92 0.00 2.07 1.84 1.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 9.08 5.52 0.00 3.33 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.77 4.46 0.00 1.95 2.03 0.00 3.43 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 47 R 9.03 3.80 0.00 2.25 1.96 0.00 3.35 0.00 0.00 3.32 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 48 E 9.67 3.92 0.00 2.43 1.71 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 2.29 2.42 0.00 49 D 9.35 4.41 0.00 2.83 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.18 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 51 N 7.97 5.13 0.00 2.61 2.68 0.00 0.00 6.92 7.62 0.00 0.00 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 L 8.62 4.08 0.00 1.50 1.61 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.76 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 54 L 8.39 4.85 0.00 1.70 1.63 1.08 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.40 3.95 2.26 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 1.27 1.21 0.95 0.00 0.00 56 E 8.76 4.07 0.00 1.93 1.85 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 2.28 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.