NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7552 8.3393 109.7365 45.3731 0.0000 176.4766 *2 N 4.5195 8.9602 120.7545 52.2876 40.2420 174.3484 3 I 3.6533 8.0207 119.6919 64.3580 38.0376 177.4801 4 D 4.3490 8.0800 119.3039 57.2628 40.7193 178.2683 5 E 3.9109 9.1158 120.1386 59.2253 29.5982 178.7715 6 I 3.6958 7.8834 119.9135 64.5803 37.2485 178.1477 7 E 3.9651 8.2927 119.2338 59.5240 29.2811 179.6845 8 R 3.9133 7.9842 117.9349 59.4051 30.1229 179.3851 9 K 4.0526 8.1970 118.0579 59.1281 31.9729 179.6214 10 I 3.7178 7.9856 120.7378 64.5486 37.0508 178.2020 11 D 4.3774 8.0790 119.6472 57.2082 40.5355 178.5556 12 E 3.9278 8.3497 118.9577 59.5203 29.4689 179.3113 13 A 3.9214 8.3371 120.9927 55.1749 18.3842 179.7728 14 I 3.6766 7.7670 118.3345 64.4759 36.9710 178.2575 15 E 3.9295 8.0564 119.0310 59.2392 29.6082 178.7379 16 K 4.0349 8.1199 116.7769 56.8466 32.1299 176.9463 17 E 3.0499 7.4743 117.4553 57.4330 27.4778 175.4903 18 D 4.4045 7.6285 120.4358 53.4769 39.8965 175.0796 19 Y 4.4075 7.5548 122.7810 59.8586 38.3924 177.0719 20 E 4.0307 8.1898 119.7175 59.7194 29.6510 179.1364 21 T 3.8982 8.0189 115.3510 66.2389 68.3642 176.2843 22 L 3.9440 7.9385 122.4124 58.3475 42.0856 178.9343 23 L 3.9981 7.9648 118.5457 58.1735 41.6793 179.8409 24 S 4.1520 7.9273 114.2729 61.5485 62.6898 176.7964 25 L 3.9950 8.1828 121.8190 57.8631 41.3807 179.5662 26 L 3.9974 8.2529 119.1883 57.9230 41.2987 179.3850 27 N 4.4441 8.2666 118.0798 56.8390 38.8605 177.9807 28 K 4.1794 8.0920 125.0886 59.5745 31.8157 181.6142 29 R 4.1652 8.3167 119.4193 59.0918 29.7134 178.2222 30 K 3.8607 7.8120 119.0244 59.8934 32.1431 178.2184 31 E 4.0917 7.7130 116.5071 58.2069 30.3758 177.6265 32 L 4.4682 8.1213 121.4648 53.9491 41.1864 177.6119 *34 E 4.2708 7.9489 117.6242 56.1028 31.7396 177.7149 35 G 3.9030 7.7083 105.2368 45.4964 0.0000 174.1265 36 L 4.2461 7.5403 119.9059 53.3382 42.6606 175.6413 37 P 4.4262 0.0000 0.0000 62.5785 33.1933 177.2099 38 K 3.8474 8.6582 120.3348 60.2304 32.0440 178.8666 39 D 4.3476 8.0117 118.4199 56.9232 40.7933 178.5376 40 K 3.9235 7.9522 119.9256 59.2204 32.2462 178.3824 41 L 3.8889 7.9536 120.5642 58.3412 42.0425 178.7429 42 S 4.1419 8.1820 115.4590 61.9082 62.8710 176.8422 43 E 3.9987 8.1883 119.8513 59.5300 29.1941 179.2204 44 I 3.7262 7.8117 120.7694 64.1324 37.0454 178.4158 45 L 4.0245 8.2187 120.1128 57.6820 40.9230 179.2388 46 E 3.9442 8.2752 119.4687 59.0733 29.5022 178.7890 47 K 3.9882 8.2350 119.7933 59.5642 32.1777 178.5111 48 D 4.3528 8.5591 119.6867 57.2534 40.6459 178.7730 49 R 3.8762 7.7394 119.2250 59.4199 30.1550 178.8111 50 K 4.0617 7.7396 117.6810 59.3648 32.0170 179.6364 51 R 3.9686 8.3695 118.8321 59.1709 29.9198 178.9722 52 L 3.9932 8.1967 118.9957 57.8676 41.6065 179.4491 53 E 3.9605 8.0444 117.9731 59.3971 29.3009 179.4083 54 I 3.7339 7.6927 119.8686 64.5252 37.2163 178.6240 55 I 3.8254 7.8030 113.6696 63.7443 37.4160 178.1042 56 E 3.9249 8.4137 120.8333 58.9489 29.2460 178.8262 57 K 3.8543 8.1693 119.8142 59.6790 32.1297 178.7595 58 R 3.8715 7.7990 118.4827 59.1796 30.0356 178.0327 59 K 3.7699 8.1402 119.8716 60.0225 32.1592 178.7486 60 T 4.1114 8.2219 109.6118 64.8451 68.7050 176.3524 61 A 4.0701 8.1398 123.6473 54.7985 18.3680 179.6552 62 L 3.9106 8.2605 117.9311 57.9209 41.6915 179.6124 63 F 4.1706 8.1439 117.7983 60.5146 38.8736 177.3626 64 Q 4.0210 8.3306 119.1669 59.3044 28.8603 178.1516 65 E 3.9403 8.1690 120.1198 59.3648 29.6654 178.6926 66 I 3.7213 7.8468 119.8393 64.6501 37.2904 178.2018 67 N 4.4056 8.3940 117.2251 56.1270 38.2639 177.7301 68 V 3.6268 7.8461 119.8414 65.9387 31.5353 178.0849 69 I 3.6996 7.9163 119.6147 64.5440 36.4452 178.5619 70 R 3.9327 8.1844 118.8295 59.3377 29.6469 179.0179 71 E 3.9879 7.9575 116.8817 59.2508 29.8621 178.9309 72 A 4.1144 8.1474 120.9588 55.1630 18.4588 179.3185 73 R 3.8484 8.2610 117.5279 60.0778 29.7562 178.5780 74 S 4.1331 7.5606 112.9506 61.8896 62.8803 176.5742 75 S 4.3443 7.8253 116.1970 60.9210 62.7993 176.0900 76 L 4.2833 7.7335 120.2495 55.5687 41.8697 177.0262 77 Q 4.2045 7.4353 116.6634 55.6109 29.6035 176.3062 78 K 4.1530 8.6645 116.5417 56.8168 31.5990 176.4445 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 0 G 8.34 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 *2 N 8.96 4.52 0.00 3.03 3.02 0.00 0.00 5.57 7.72 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 3 I 8.02 3.65 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 1.64 1.20 0.91 0.00 0.00 4 D 8.08 4.35 0.00 2.94 2.70 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 0.00 0.00 0.00 0.00 5 E 9.12 3.91 0.00 2.06 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 0.00 2.30 2.35 0.00 6 I 7.88 3.70 2.01 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 0.66 0.92 0.00 0.00 7 E 8.29 3.97 0.00 2.12 2.01 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 2.48 2.51 0.00 8 R 7.98 3.91 0.00 2.05 1.98 0.00 3.12 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 1.65 1.84 0.00 9 K 8.20 4.05 0.00 2.01 1.85 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.61 7.81 10 I 7.99 3.72 2.04 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 1.54 0.76 0.93 0.00 0.00 11 D 8.08 4.38 0.00 2.84 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 12 E 8.35 3.93 0.00 2.16 1.99 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 2.32 2.45 0.00 13 A 8.34 3.92 1.34 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 0.00 0.00 14 I 7.77 3.68 2.03 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.79 0.99 0.00 0.00 15 E 8.06 3.93 0.00 2.05 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 0.00 2.31 2.35 0.00 16 K 8.12 4.03 0.00 2.14 1.76 0.00 2.01 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.47 1.35 7.81 17 E 7.47 3.05 0.00 1.99 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.17 0.00 18 D 7.63 4.40 0.00 2.54 2.43 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 19 Y 7.55 4.41 0.00 3.07 2.95 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 0.00 0.00 0.00 20 E 8.19 4.03 0.00 1.98 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 2.44 2.35 0.00 21 T 8.02 3.90 4.40 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 1.20 0.00 0.00 22 L 7.94 3.94 0.00 1.84 2.01 0.96 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.96 4.00 0.00 1.99 1.73 0.94 0.78 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 24 S 7.93 4.15 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 25 L 8.18 3.99 0.00 1.87 1.72 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.25 4.00 0.00 1.82 1.73 0.95 0.88 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 27 N 8.27 4.44 0.00 2.88 2.89 0.00 0.00 6.95 7.12 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 28 K 8.09 4.18 0.00 1.80 1.81 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.31 7.81 29 R 8.32 4.17 0.00 2.01 2.09 0.00 3.19 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 30 K 7.81 3.86 0.00 2.20 2.03 0.00 1.98 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.46 1.38 7.81 31 E 7.71 4.09 0.00 2.10 2.01 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 2.35 2.35 0.00 32 L 8.12 4.47 0.00 1.77 1.63 0.92 0.84 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 *34 E 7.95 4.27 0.00 2.24 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 0.00 2.21 1.89 0.00 35 G 7.71 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.54 4.25 0.00 1.65 1.61 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.43 0.00 2.26 2.18 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 38 K 8.66 3.85 0.00 1.84 1.86 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.55 7.81 39 D 8.01 4.35 0.00 2.85 2.70 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 0.00 0.00 0.00 0.00 40 K 7.95 3.92 0.00 1.86 1.97 0.00 1.62 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.55 7.81 41 L 7.95 3.89 0.00 1.81 1.81 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.18 4.14 0.00 4.05 3.93 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 0.00 0.00 0.00 43 E 8.19 4.00 0.00 2.21 2.33 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 2.52 2.35 0.00 44 I 7.81 3.73 2.00 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 1.68 0.80 0.96 0.00 0.00 45 L 8.22 4.02 0.00 1.81 1.72 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.28 3.94 0.00 2.10 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 0.00 2.31 2.36 0.00 47 K 8.23 3.99 0.00 1.92 1.93 0.00 1.59 0.00 0.00 1.65 0.00 0.00 3.13 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.53 7.81 48 D 8.56 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 49 R 7.74 3.88 0.00 1.83 2.13 0.00 3.09 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 50 K 7.74 4.06 0.00 2.02 1.85 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.63 7.81 51 R 8.37 3.97 0.00 2.01 2.00 0.00 3.31 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 52 L 8.20 3.99 0.00 1.88 1.72 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.04 3.96 0.00 2.28 2.01 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 2.33 2.23 0.00 54 I 7.69 3.73 2.07 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.97 0.00 0.00 55 I 7.80 3.83 1.61 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.57 1.06 0.00 0.00 56 E 8.41 3.92 0.00 2.21 2.04 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 2.40 2.46 0.00 57 K 8.17 3.85 0.00 2.23 1.84 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.33 7.81 58 R 7.80 3.87 0.00 2.00 2.09 0.00 3.28 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.70 0.00 59 K 8.14 3.77 0.00 1.95 2.02 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.19 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.63 1.45 7.81 60 T 8.22 4.11 4.30 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 1.31 0.00 0.00 61 A 8.14 4.07 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.26 3.91 0.00 1.66 1.55 0.84 1.34 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 63 F 8.14 4.17 0.00 3.30 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 64 Q 8.33 4.02 0.00 2.28 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.25 0.00 65 E 8.17 3.94 0.00 2.23 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 0.00 2.31 2.36 0.00 66 I 7.85 3.72 2.09 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.47 0.96 0.00 0.00 67 N 8.39 4.41 0.00 2.94 2.89 0.00 0.00 6.66 7.03 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 68 V 7.85 3.63 2.22 0.00 0.00 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 0.97 0.00 0.00 69 I 7.92 3.70 2.03 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 0.66 0.92 0.00 0.00 70 R 8.18 3.93 0.00 2.06 1.99 0.00 3.33 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 71 E 7.96 3.99 0.00 2.17 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 0.00 2.35 2.56 0.00 72 A 8.15 4.11 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 73 R 8.26 3.85 0.00 1.88 2.19 0.00 3.12 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 74 S 7.56 4.13 0.00 4.06 3.93 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 0.00 0.00 0.00 75 S 7.83 4.34 0.00 3.98 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 76 L 7.73 4.28 0.00 1.62 1.72 0.92 0.91 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 77 Q 7.44 4.20 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 5.78 0.00 0.00 0.00 0.00 0.00 2.62 2.33 0.00 78 K 8.66 4.15 0.00 1.82 2.16 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.32 7.81 * Residues marked with a * may have inaccurate shift predictions.