NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4678 8.2893 120.3260 54.2683 32.9634 175.0930 2 P 4.2058 0.0000 0.0000 62.0676 32.1930 174.9179 3 R 4.3332 9.3020 121.3930 56.3992 32.5764 176.4886 4 L 5.1249 9.0737 121.6376 52.9729 45.1606 175.3665 5 K 5.0131 8.5803 123.3553 54.9312 34.4152 175.2677 6 V 4.9325 8.5530 120.6333 59.5253 35.2479 174.7820 7 K 5.6302 8.3386 123.0928 53.6258 35.9909 174.8257 8 L 4.6082 8.5195 129.1458 55.0980 42.7560 177.0372 9 V 4.4378 8.7045 117.4097 60.2508 34.2304 175.5799 10 K 4.4648 7.9215 121.0052 53.7885 32.9755 175.3205 11 S 4.1914 8.8160 121.2003 58.0104 62.8404 173.1351 12 P 4.6194 0.0000 0.0000 65.0273 31.4884 176.1054 13 I 3.7587 6.8910 119.5869 63.7223 37.1105 175.8013 14 G 3.8155 9.2557 113.1758 45.2601 0.0000 172.0129 15 Y 4.7378 7.3984 115.9394 54.6762 41.1454 174.2110 16 P 4.3211 0.0000 0.0000 62.7965 33.5881 177.5442 17 K 3.9708 8.7977 120.1906 59.6734 31.9942 179.3436 18 D 4.3210 8.0323 118.7332 56.8392 39.3943 178.4791 19 Q 4.1055 7.8376 120.1494 58.4488 28.1244 179.2383 20 K 4.0771 8.1387 118.8519 59.0684 31.9451 179.3511 21 A 4.0110 7.9284 121.0788 54.8242 18.3008 179.2047 22 A 3.9106 8.5277 119.6368 55.6697 18.5265 179.7571 23 L 4.0253 7.7257 116.6779 57.9268 41.7418 179.9518 24 K 4.0171 7.7168 118.4877 59.0882 31.8976 178.8183 25 A 3.9698 7.9491 120.4964 55.2397 18.5540 179.4590 26 L 4.1380 8.2726 115.4964 55.7396 41.5929 178.3736 27 G 3.7591 7.5828 106.3406 45.8179 0.0000 173.7201 28 L 4.5240 8.2320 120.5325 53.4773 40.2940 176.7167 29 R 4.0700 8.4884 125.7554 56.6458 30.6410 180.2654 30 R 4.4197 7.4356 119.0565 54.9736 32.0928 176.0305 31 L 4.3297 8.1322 117.1067 54.8465 42.6411 176.6105 32 Q 4.0550 8.8913 116.4347 57.0185 27.0419 173.2189 33 Q 4.6119 7.4755 118.8147 54.6198 30.8342 174.1841 34 E 5.8347 8.6284 125.1693 54.5874 32.2838 175.6582 35 R 4.6294 8.2066 120.1375 54.9477 34.8493 174.1553 36 V 5.3888 8.3687 117.0965 59.3754 33.0839 175.3074 37 L 4.9265 8.2426 124.1179 52.4512 46.6881 175.9459 38 E 4.2397 8.7354 120.0531 56.6139 30.6786 177.0438 39 D 4.5889 8.5932 120.3664 54.6098 41.4880 176.6211 40 T 3.8970 7.3115 111.0146 62.1535 69.3053 172.6483 41 P 4.4135 0.0000 0.0000 64.5230 31.4521 178.7342 42 A 4.0662 7.9389 120.6603 54.8525 18.4664 179.7626 43 I 3.7198 7.5905 118.0668 64.5608 37.4477 178.7819 44 R 4.1050 8.0970 116.8876 58.8570 28.9320 178.7567 45 G 3.7443 7.8462 106.3966 47.8290 0.0000 175.3281 46 N 4.2705 7.7503 117.5574 56.0257 38.6762 177.6477 47 V 3.6240 7.3547 117.6764 65.9793 31.6550 177.6689 48 E 4.0371 8.2763 118.5677 59.1970 29.1956 178.6367 49 K 3.9710 7.3199 118.6806 58.9820 32.3628 177.6233 50 V 4.0115 7.4671 110.1124 60.8161 32.2243 177.2000 51 A 3.9410 8.3039 125.9309 55.8194 18.0099 180.5453 52 H 4.2112 8.0967 108.4626 57.6037 28.6362 175.4071 53 L 4.5931 8.0437 119.3159 54.3376 43.9450 176.1678 54 V 4.7623 7.7885 118.3864 60.9827 34.5000 175.2887 55 R 4.4549 8.5534 123.7596 54.6530 32.2593 175.2164 56 V 4.8252 8.1772 119.5693 60.3437 33.6861 174.2815 57 E 4.6938 7.9584 120.9924 56.1419 32.8982 173.6899 58 V 4.7498 8.3285 120.5253 61.6985 34.1616 174.0845 59 V 4.3903 9.3894 127.1945 64.8008 36.5250 175.1248 *60 E 4.1603 8.0610 119.3136 56.0697 30.3181 177.4699 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 4.47 0.00 2.02 2.10 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 2.53 0.00 2 P 0.00 4.21 0.00 2.25 2.05 0.00 3.76 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 1.98 2.04 0.00 3 R 9.30 4.33 0.00 1.85 1.96 0.00 3.08 0.00 0.00 3.65 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.66 0.00 4 L 9.07 5.12 0.00 1.56 1.65 1.02 0.78 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 5 K 8.58 5.01 0.00 1.83 1.64 0.00 1.58 0.00 0.00 1.86 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.37 7.81 6 V 8.55 4.93 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.96 0.00 0.00 7 K 8.34 5.63 0.00 1.74 1.56 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.20 7.81 8 L 8.52 4.61 0.00 1.76 1.51 0.96 0.99 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 9 V 8.70 4.44 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 0.76 0.00 0.00 0.96 0.00 0.00 10 K 7.92 4.46 0.00 1.67 1.67 0.00 2.06 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.39 7.81 11 S 8.82 4.19 0.00 3.93 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 12 P 0.00 4.62 0.00 2.34 2.34 0.00 3.83 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.02 0.00 13 I 6.89 3.76 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 1.25 0.56 0.90 0.00 0.00 14 G 9.26 3.82 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 0.00 0.00 0.00 15 Y 7.40 4.74 0.00 3.18 2.87 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 16 P 0.00 4.32 0.00 2.30 2.15 0.00 4.01 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 17 K 8.80 3.97 0.00 1.78 1.89 0.00 1.70 0.00 0.00 1.89 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.47 7.81 18 D 8.03 4.32 0.00 2.88 2.94 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 19 Q 7.84 4.11 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 20 K 8.14 4.08 0.00 2.01 1.88 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.77 7.81 21 A 7.93 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.53 3.91 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 23 L 7.73 4.03 0.00 1.81 1.74 0.90 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.72 4.02 0.00 1.86 1.95 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.45 7.81 25 A 7.95 3.97 1.36 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 0.00 0.00 0.00 26 L 8.27 4.14 0.00 1.56 1.73 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 27 G 7.58 3.76 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 0.00 0.00 0.00 28 L 8.23 4.52 0.00 1.68 1.65 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.49 4.07 0.00 1.77 1.83 0.00 3.31 0.00 0.00 3.28 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 30 R 7.44 4.42 0.00 1.91 1.97 0.00 3.19 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 31 L 8.13 4.33 0.00 1.73 1.63 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.89 4.06 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.61 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 33 Q 7.48 4.61 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.89 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 34 E 8.63 5.83 0.00 1.87 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 2.22 2.15 0.00 35 R 8.21 4.63 0.00 1.69 1.75 0.00 3.23 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 36 V 8.37 5.39 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 0.84 0.00 0.00 0.93 0.00 0.00 37 L 8.24 4.93 0.00 1.53 1.48 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.74 4.24 0.00 1.88 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 2.40 2.26 0.00 39 D 8.59 4.59 0.00 2.84 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 7.31 3.90 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 1.26 0.00 0.00 41 P 0.00 4.41 0.00 2.19 2.07 0.00 3.64 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 2.11 2.14 0.00 42 A 7.94 4.07 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 43 I 7.59 3.72 2.08 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 1.69 1.01 0.93 0.00 0.00 44 R 8.10 4.10 0.00 2.05 2.18 0.00 2.78 0.00 0.00 3.16 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.63 0.00 45 G 7.85 3.74 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 0.00 0.00 0.00 46 N 7.75 4.27 0.00 3.04 2.84 0.00 0.00 6.57 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 V 7.35 3.62 2.20 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 0.80 0.00 0.00 0.93 0.00 0.00 48 E 8.28 4.04 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.45 0.00 49 K 7.32 3.97 0.00 1.77 2.01 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.46 1.52 7.81 50 V 7.47 4.01 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 0.60 0.00 0.00 0.92 0.00 0.00 51 A 8.30 3.94 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 4.21 0.00 3.19 3.43 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 8.04 4.59 0.00 1.46 1.57 0.64 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.79 4.76 2.03 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 0.80 0.00 0.00 0.92 0.00 0.00 55 R 8.55 4.45 0.00 1.88 1.74 0.00 3.13 0.00 0.00 3.16 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 56 V 8.18 4.83 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 1.06 0.00 0.00 0.92 0.00 0.00 57 E 7.96 4.69 0.00 1.98 1.84 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 2.20 2.22 0.00 58 V 8.33 4.75 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 0.88 0.00 0.00 0.93 0.00 0.00 59 V 9.39 4.39 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 *60 E 8.06 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.