NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8327 8.3549 109.7358 45.2349 0.0000 173.3565 2 K 4.2403 8.3972 120.7481 52.3500 33.0085 174.6425 3 K 4.3250 8.2650 124.0773 55.9111 34.9509 177.0836 4 S 4.5900 8.1612 116.3638 57.0123 66.2298 175.1228 5 K 3.8568 8.4462 121.6066 59.5216 31.7383 178.3943 6 A 3.9560 7.8871 120.4075 55.5313 18.3989 179.2945 7 T 3.7956 7.5241 114.0365 66.9590 68.5576 176.6038 8 K 3.9237 8.3580 121.4541 59.3496 32.1253 179.0425 9 K 3.9781 7.8831 118.5243 59.4010 31.9490 179.5201 10 R 3.9264 8.1876 118.4465 59.3679 30.0560 179.1132 11 L 3.9768 8.2931 118.8258 57.5791 41.5700 179.4372 12 A 3.9787 7.9789 120.7427 55.0777 18.3134 179.5128 13 K 3.8689 8.1421 118.0579 59.7828 32.0538 178.8061 14 L 4.0089 7.8795 118.0389 57.9331 41.8466 178.8156 15 D 4.4653 8.1671 117.9533 57.3436 40.9649 177.8392 16 N 4.3677 8.2528 117.6362 56.6913 38.7720 176.6747 17 Q 4.1646 8.3445 118.4323 57.7942 28.7827 176.8449 18 N 4.7646 7.6142 117.4520 52.9577 39.0766 174.4952 19 S 4.5486 7.2147 114.1257 57.1088 64.7457 173.2812 20 R 4.3340 7.9878 120.4249 54.4794 31.1064 175.7822 21 V 3.5660 8.0931 122.2574 61.8660 31.9312 174.1364 22 P 4.2555 0.0000 0.0000 62.9849 31.7927 176.6912 23 A 3.9657 8.9856 123.1945 55.4568 18.1233 180.1416 24 W 4.2659 8.3223 114.3749 59.7619 28.1827 178.5173 25 V 2.8853 6.7410 118.8959 65.4018 30.7326 178.0166 26 M 3.9737 7.6625 118.8503 58.2899 31.6667 178.6771 27 L 4.0241 7.7943 118.6667 57.6948 41.7386 179.3244 28 K 4.1425 8.3177 118.6947 58.5174 32.2104 177.8645 29 T 4.4113 7.4357 107.2600 60.3060 69.2799 173.7159 30 D 4.3079 8.4664 119.8374 55.2917 39.2540 170.1864 31 E 3.7530 7.9212 123.3037 55.7433 30.2079 174.6056 *35 R 3.8408 8.3011 120.2003 56.0420 31.1899 174.7451 36 N 4.6458 8.2155 121.1913 52.0870 38.8640 174.3742 37 H 4.5948 8.4985 121.7741 56.9576 29.0112 176.4080 38 K 4.5706 8.0131 118.6688 55.9212 32.2979 176.4415 39 R 3.9785 7.4647 117.8477 56.2766 30.2507 176.3774 40 R 4.4571 8.3503 122.0733 54.6477 32.5255 173.8219 41 H 4.7148 8.6146 125.5597 54.7312 30.9272 175.9652 42 W 4.2190 8.4768 122.8474 59.2738 28.3681 177.4115 43 R 3.7816 6.1516 117.8529 58.4711 29.7559 177.6383 44 R 3.9128 7.7174 114.8606 58.1939 30.2435 176.2248 45 N 4.9435 7.8027 113.9463 51.3108 41.0564 173.2806 46 D 4.7520 8.1918 117.7359 52.7969 43.9920 175.1412 47 T 4.3492 8.3250 116.2795 60.5373 70.5943 173.3181 48 D 4.6142 8.1712 121.9307 53.7200 42.4046 176.8239 49 E 4.1879 8.6681 118.4121 56.9419 28.8467 175.0922 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 G 8.35 3.83 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 0.00 0.00 0.00 2 K 8.40 4.24 0.00 1.81 1.75 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.43 7.81 3 K 8.26 4.32 0.00 1.86 1.80 0.00 1.55 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.41 7.81 4 S 8.16 4.59 0.00 4.06 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.45 3.86 0.00 1.84 1.85 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.51 7.81 6 A 7.89 3.96 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 7 T 7.52 3.80 4.47 0.00 0.00 0.00 0.00 0.00 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 8 K 8.36 3.92 0.00 1.88 1.99 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 9 K 7.88 3.98 0.00 2.07 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.69 7.81 10 R 8.19 3.93 0.00 2.03 1.98 0.00 3.35 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 1.66 1.80 0.00 11 L 8.29 3.98 0.00 1.67 1.72 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.98 3.98 1.43 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 13 K 8.14 3.87 0.00 1.85 1.98 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 14 L 7.88 4.01 0.00 1.88 1.75 0.94 0.97 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 15 D 8.17 4.47 0.00 2.81 2.86 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 16 N 8.25 4.37 0.00 2.86 2.95 0.00 0.00 7.25 6.25 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 17 Q 8.34 4.16 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.10 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 18 N 7.61 4.76 0.00 3.02 2.90 0.00 0.00 7.14 7.59 0.00 0.00 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 S 7.21 4.55 0.00 4.02 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 7.99 4.33 0.00 1.78 1.85 0.00 3.23 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 21 V 8.09 3.57 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 0.69 0.00 0.00 0.85 0.00 0.00 22 P 0.00 4.26 0.00 2.16 2.32 0.00 3.61 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.98 0.00 23 A 8.99 3.97 1.40 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 24 W 8.32 4.27 0.00 3.63 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.74 2.89 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 -0.79 0.00 0.00 26 M 7.66 3.97 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.83 0.00 27 L 7.79 4.02 0.00 1.91 1.76 0.99 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.32 4.14 0.00 2.04 1.88 0.00 2.21 0.00 0.00 2.05 0.00 0.00 3.20 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.53 1.56 7.81 29 T 7.44 4.41 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 1.21 0.00 0.00 30 D 8.47 4.31 0.00 2.76 2.76 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 31 E 7.92 3.75 0.00 2.13 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 2.21 2.25 0.00 *35 R 8.30 3.84 0.00 1.73 1.63 0.00 3.20 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 36 N 8.22 4.65 0.00 2.64 2.65 0.00 0.00 7.24 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 H 8.50 4.59 0.00 3.16 3.33 0.00 5.91 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.01 4.57 0.00 1.86 1.80 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.39 7.81 39 R 7.46 3.98 0.00 1.84 1.88 0.00 3.12 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 40 R 8.35 4.46 0.00 1.72 1.80 0.00 3.26 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 41 H 8.61 4.71 0.00 3.16 3.02 0.00 5.92 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.48 4.22 0.00 3.50 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 R 6.15 3.78 0.00 0.67 1.25 0.00 2.34 0.00 0.00 2.85 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.20 0.00 44 R 7.72 3.91 0.00 1.76 1.91 0.00 3.32 0.00 0.00 3.13 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 45 N 7.80 4.94 0.00 2.93 2.74 0.00 0.00 6.70 7.47 0.00 0.00 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 D 8.19 4.75 0.00 2.57 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 8.33 4.35 4.26 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 0.00 0.00 0.00 1.24 0.00 0.00 48 D 8.17 4.61 0.00 2.70 2.68 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 0.00 0.00 0.00 0.00 49 E 8.67 4.19 0.00 2.07 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 0.00 2.17 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.