NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.6650 8.2133 109.7451 45.6176 0.0000 172.9307 2 F 3.6459 8.8208 114.4420 58.0314 36.3405 175.2412 3 G 3.9424 9.2772 111.9108 45.3918 0.0000 174.1547 4 C 4.8496 8.2862 117.9416 55.9457 39.3157 173.6321 5 N 5.0244 8.8576 126.4903 52.7062 39.2250 175.3383 6 G 2.6955 7.0532 104.1528 43.2826 0.0000 173.5527 7 P 3.9225 0.0000 0.0000 64.2337 31.0950 177.1386 8 W 4.8087 7.5814 116.8588 56.5473 30.0608 176.2291 9 D 4.6896 8.0332 118.6292 53.0646 41.4832 173.3224 10 E 4.6741 7.8931 119.9308 54.2732 30.7344 174.5565 11 D 4.8686 8.8707 125.7040 52.8484 39.1873 175.6364 12 D 4.5359 8.3371 126.7446 57.8030 41.1910 178.4157 13 M 4.2779 8.0345 120.4432 59.3428 31.4123 180.8093 14 Q 4.1953 8.3375 119.6782 59.5026 29.1893 177.6380 15 C 4.4216 8.2454 119.4525 59.9320 44.8501 174.9157 16 H 4.2123 8.7058 120.1726 59.5789 29.5446 176.9776 17 N 4.2754 8.5545 118.5672 56.3861 38.0921 176.8789 18 H 4.0594 8.3849 119.1759 59.5213 30.3110 176.3407 19 C 4.2960 8.4012 118.5743 60.0414 39.8235 176.3871 20 K 3.9146 7.8933 119.0470 59.0631 31.6423 179.0846 21 S 4.3114 7.5179 112.7988 59.5004 64.3917 175.6826 22 I 3.8794 7.0856 125.7019 57.6345 34.7012 173.1339 23 K 3.7989 7.4676 122.1191 57.8755 32.6683 175.6196 24 G 4.1681 8.9462 113.9849 46.1757 0.0000 173.7875 25 Y 4.3918 7.6000 117.2902 57.7541 38.3945 176.2723 26 K 4.0081 8.8195 124.8308 58.9306 32.7292 176.9448 27 G 3.7731 6.4842 102.8373 47.1724 0.0000 172.0549 28 G 4.6448 8.9585 105.5798 46.2757 0.0000 172.1157 29 Y 5.0631 7.8542 116.7469 55.9110 41.6484 173.2837 30 C 5.0421 9.5334 118.8716 57.3973 42.4082 172.9231 31 A 4.4800 9.0411 123.3119 50.8913 23.2411 175.8333 32 K 3.8959 9.8410 114.7529 58.4086 29.4602 176.8362 33 G 3.9860 8.8329 105.4830 45.1110 0.0000 175.5420 34 G 3.9387 8.5696 108.4639 46.0734 0.0000 174.8865 35 F 4.9795 7.8586 115.4094 56.4655 40.0205 175.1821 36 V 4.3300 7.4947 122.2315 61.1422 33.4282 175.0044 37 C 4.7791 9.0186 129.0402 55.9473 43.0346 172.5665 38 K 4.3324 8.7670 130.0847 55.3397 32.7315 174.8949 39 C 5.1730 8.5553 125.3170 55.9552 39.5960 173.6656 40 Y 4.1555 7.8477 118.6178 57.3055 37.8070 174.9311 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 8.21 3.66 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 0.00 0.00 0.00 2 F 8.82 3.65 0.00 3.25 3.02 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 0.00 0.00 0.00 3 G 9.28 3.94 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 0.00 0.00 0.00 4 C 8.29 4.85 0.00 3.13 3.23 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.86 5.02 0.00 2.77 2.80 0.00 0.00 7.26 8.11 0.00 0.00 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 G 7.05 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 0.00 0.00 0.00 7 P 0.00 3.92 0.00 0.89 1.63 0.00 3.35 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.36 0.00 8 W 7.58 4.81 0.00 3.48 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 9 D 8.03 4.69 0.00 2.68 2.65 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 0.00 0.00 0.00 0.00 10 E 7.89 4.67 0.00 2.00 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 2.17 2.33 0.00 11 D 8.87 4.87 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 12 D 8.34 4.54 0.00 2.77 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.03 4.28 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.16 0.00 14 Q 8.34 4.20 0.00 2.33 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.78 0.00 0.00 0.00 0.00 0.00 2.58 2.45 0.00 15 C 8.25 4.42 0.00 3.29 3.31 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 16 H 8.71 4.21 0.00 3.55 3.51 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.55 4.28 0.00 3.01 2.87 0.00 0.00 6.72 8.12 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 18 H 8.38 4.06 0.00 3.11 3.60 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 C 8.40 4.30 0.00 3.03 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 7.89 3.91 0.00 1.73 1.78 0.00 1.37 0.00 0.00 1.64 0.00 0.00 3.18 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.32 7.81 21 S 7.52 4.31 0.00 3.95 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 22 I 7.09 3.88 1.34 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.52 -0.03 0.00 0.00 23 K 7.47 3.80 0.00 1.58 1.63 0.00 1.57 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.46 7.81 24 G 8.95 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 0.00 0.00 0.00 0.00 25 Y 7.60 4.39 0.00 3.06 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 26 K 8.82 4.01 0.00 1.56 1.86 0.00 1.90 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.38 7.81 27 G 6.48 3.77 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 0.00 0.00 0.00 28 G 8.96 4.64 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 0.00 0.00 0.00 29 Y 7.85 5.06 0.00 3.15 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.53 5.04 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 31 A 9.04 4.48 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 32 K 9.84 3.90 0.00 1.92 1.92 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.77 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.42 7.81 33 G 8.83 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.57 3.94 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 0.00 0.00 0.00 35 F 7.86 4.98 0.00 3.03 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 36 V 7.49 4.33 2.29 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 0.98 0.00 0.00 0.99 0.00 0.00 37 C 9.02 4.78 0.00 3.32 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.77 4.33 0.00 1.66 1.22 0.00 1.51 0.00 0.00 0.91 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.19 1.27 7.81 39 C 8.56 5.17 0.00 2.47 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 40 Y 7.85 4.16 0.00 3.05 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