NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8886 8.3549 109.7370 44.8974 0.0000 174.2262 2 K 4.0865 8.4624 124.2341 56.5341 32.5279 173.8399 3 E 4.6730 9.1941 118.4663 57.0038 32.0690 175.2843 4 C 4.8337 8.2320 117.0178 55.7540 41.3188 173.3150 5 D 4.4133 9.9599 125.4499 56.1058 41.4640 174.7473 6 C 5.0454 7.7112 114.1867 55.8488 44.0522 172.8164 7 S 4.6414 8.2887 110.2262 57.2103 62.8398 174.1374 8 S 4.5689 7.5481 113.6067 57.5300 65.6272 172.7976 9 P 4.3663 0.0000 0.0000 65.5235 31.5637 176.6944 10 E 4.1519 8.0182 116.4629 56.2991 29.6781 175.3485 11 N 4.5714 7.7312 117.4524 53.1881 39.3972 173.9921 12 P 4.3075 0.0000 0.0000 65.5685 32.1566 177.4441 13 C 4.7308 9.9228 116.5436 57.1383 41.0668 172.2730 14 C 5.3892 7.8343 118.8577 55.3039 45.0746 173.1359 15 D 4.6707 10.1329 126.8268 52.8494 40.7322 176.5265 16 A 3.6726 8.8367 130.1055 55.0485 18.6689 178.2091 17 A 4.1124 7.5273 117.9539 54.9594 18.3209 178.0430 18 T 4.3556 7.4937 106.7617 61.0160 68.5419 175.3211 19 C 4.0357 9.4355 120.8442 57.2676 41.3850 171.9123 20 K 5.0296 7.0516 118.4571 54.5338 35.2884 175.0394 21 L 4.6759 8.3686 120.1319 55.5612 41.6498 177.5078 22 R 4.2322 8.6033 123.8807 58.3739 30.9332 174.7675 23 P 4.6106 0.0000 0.0000 62.1185 33.5700 176.7223 24 G 3.9973 8.4969 110.1377 45.8766 0.0000 173.8737 25 A 4.1131 7.1845 121.2474 51.8015 18.8280 178.9688 26 Q 3.9874 8.2995 119.8089 58.3577 29.3544 175.4412 27 C 4.8431 7.6942 110.4017 54.1207 44.7150 174.5326 28 G 3.7094 8.6460 109.7706 46.4654 0.0000 174.1158 29 E 4.7059 7.8076 115.2124 53.5098 32.6715 174.5870 30 G 4.5422 8.2954 116.0856 45.2743 0.0000 173.5040 31 L 4.0242 8.3587 122.3521 56.8826 41.9572 178.7496 32 C 4.8619 9.5746 116.1920 56.3244 40.6913 171.9709 33 C 5.2702 8.3859 121.3971 54.7253 40.3031 172.7031 34 E 4.6781 8.9189 126.1073 55.5666 30.9312 176.2309 35 Q 3.2812 9.2316 121.5210 57.3908 26.4573 174.0351 36 C 4.6422 8.2251 109.5671 57.3164 38.5201 173.1340 37 K 4.7614 7.5942 116.7736 54.1417 35.8000 175.7557 38 F 4.8347 8.2597 119.9107 57.8073 39.5102 175.8363 39 S 5.2527 9.6161 120.4090 57.7423 64.3715 173.5633 40 R 4.5744 8.4018 121.4261 55.7732 30.8491 175.7683 41 A 4.2952 8.3590 125.0310 53.4169 18.9192 177.7161 42 G 3.8000 9.5145 110.2625 45.3526 0.0000 173.3211 43 K 4.1358 7.9604 121.7334 55.0015 33.1212 175.9613 44 I 4.6457 8.6812 129.2739 61.4957 35.3618 173.7535 45 C 4.5565 8.5516 122.2498 56.6737 40.4139 174.0636 46 R 4.4514 7.8668 117.9962 53.6972 32.9070 176.3313 47 I 4.0654 7.9419 129.0578 58.7110 36.7267 175.4831 48 A 3.9796 7.7337 123.6704 52.8045 19.0652 177.3810 49 R 4.6816 8.8326 119.3162 54.9531 32.7408 174.9370 50 G 3.9684 8.1600 105.8047 45.0824 0.0000 174.4706 51 D 4.6125 8.7395 125.5397 54.3747 41.3700 175.5404 52 M 4.6004 7.4900 116.7498 53.1587 34.6592 173.8463 53 P 4.4786 0.0000 0.0000 62.2476 33.1164 174.3490 54 D 4.8858 8.0234 117.6298 53.5631 43.0465 174.9978 55 D 4.8467 8.9903 118.7791 53.4791 45.0604 175.0409 56 R 4.9592 8.5088 121.6703 54.2481 33.0831 176.5151 57 C 4.6052 9.6638 122.1178 57.2834 41.2749 174.8799 58 T 3.7598 8.1371 110.6325 62.4104 68.6023 175.7899 59 G 4.5220 8.3041 110.8036 45.5865 0.0000 173.9929 60 Q 4.1140 7.4616 115.6495 55.4536 30.7701 176.0679 61 S 4.1456 7.5541 113.1875 57.6314 63.8360 173.7016 62 A 4.6097 8.5433 125.9535 54.8456 19.5022 178.4506 63 D 5.0117 7.7151 113.4621 53.4940 42.9570 175.6339 64 C 4.9585 8.4361 119.0553 54.7082 46.2526 172.9423 65 P 4.5438 0.0000 0.0000 62.1753 33.3218 173.1931 66 R 4.8094 8.0620 118.6473 55.9364 32.3755 174.8317 67 Y 4.5387 8.6141 115.2853 59.4713 39.5022 176.0081 68 H 4.2107 7.4928 118.7427 55.3299 28.8773 174.3540 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 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.46 4.09 0.00 1.85 1.82 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.47 7.81 3 E 9.19 4.67 0.00 1.90 1.88 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 2.21 2.33 0.00 4 C 8.23 4.83 0.00 2.96 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.96 4.41 0.00 2.64 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 6 C 7.71 5.05 0.00 2.93 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.29 4.64 0.00 3.91 3.84 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 0.00 0.00 0.00 8 S 7.55 4.57 0.00 3.83 3.68 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 9 P 0.00 4.37 0.00 2.22 2.15 0.00 3.81 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 10 E 8.02 4.15 0.00 1.95 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 2.28 2.29 0.00 11 N 7.73 4.57 0.00 2.83 2.83 0.00 0.00 6.91 7.57 0.00 0.00 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 4.31 0.00 2.20 2.15 0.00 3.80 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 13 C 9.92 4.73 0.00 3.03 3.09 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 0.00 0.00 0.00 14 C 7.83 5.39 0.00 2.91 2.88 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 15 D 10.13 4.67 0.00 2.77 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.84 3.67 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.53 4.11 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.49 4.36 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 1.28 0.00 0.00 19 C 9.44 4.04 0.00 3.03 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.05 5.03 0.00 1.63 1.71 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.54 1.41 7.81 21 L 8.37 4.68 0.00 1.50 1.56 0.96 1.01 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 22 R 8.60 4.23 0.00 1.96 2.11 0.00 3.22 0.00 0.00 3.27 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 23 P 0.00 4.61 0.00 2.23 2.18 0.00 3.73 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.93 0.00 24 G 8.50 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.18 4.11 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.30 3.99 0.00 1.68 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.72 0.00 0.00 0.00 0.00 0.00 2.57 2.42 0.00 27 C 7.69 4.84 0.00 2.93 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.65 3.71 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 0.00 0.00 0.00 29 E 7.81 4.71 0.00 2.01 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 2.17 2.37 0.00 30 G 8.30 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.36 4.02 0.00 1.67 1.77 0.93 0.87 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 32 C 9.57 4.86 0.00 3.27 3.08 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 0.00 0.00 0.00 33 C 8.39 5.27 0.00 2.92 2.98 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 0.00 0.00 0.00 0.00 34 E 8.92 4.68 0.00 2.15 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 2.22 2.26 0.00 35 Q 9.23 3.28 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.91 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 36 C 8.23 4.64 0.00 3.09 3.13 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 0.00 0.00 0.00 0.00 37 K 7.59 4.76 0.00 1.88 1.60 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.26 1.49 7.81 38 F 8.26 4.83 0.00 3.01 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 39 S 9.62 5.25 0.00 3.79 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 40 R 8.40 4.57 0.00 1.84 1.85 0.00 3.25 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 41 A 8.36 4.30 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 42 G 9.51 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 43 K 7.96 4.14 0.00 1.91 1.73 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.51 7.81 44 I 8.68 4.65 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 1.03 1.84 0.91 0.00 0.00 45 C 8.55 4.56 0.00 3.03 3.21 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 0.00 46 R 7.87 4.45 0.00 1.71 1.85 0.00 3.28 0.00 0.00 3.28 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 47 I 7.94 4.07 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.81 0.91 0.00 0.00 48 A 7.73 3.98 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 49 R 8.83 4.68 0.00 1.90 1.90 0.00 3.02 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 50 G 8.16 3.97 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 0.00 0.00 0.00 51 D 8.74 4.61 0.00 2.62 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 M 7.49 4.60 0.00 1.91 1.90 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 53 P 0.00 4.48 0.00 2.01 1.93 0.00 3.30 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.54 0.00 54 D 8.02 4.89 0.00 2.66 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 D 8.99 4.85 0.00 2.68 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 R 8.51 4.96 0.00 1.65 1.73 0.00 3.28 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 57 C 9.66 4.61 0.00 2.80 3.01 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 0.00 0.00 0.00 58 T 8.14 3.76 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 59 G 8.30 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 7.46 4.11 0.00 1.75 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 61 S 7.55 4.15 0.00 3.81 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 62 A 8.54 4.61 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.72 5.01 0.00 2.69 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 64 C 8.44 4.96 0.00 2.89 2.93 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 65 P 0.00 4.54 0.00 2.20 2.06 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 66 R 8.06 4.81 0.00 1.66 1.59 0.00 3.24 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.56 0.00 67 Y 8.61 4.54 0.00 2.87 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 68 H 7.49 4.21 0.00 3.21 3.09 0.00 5.61 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00