NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.5151 8.1548 116.6457 55.0419 31.3072 175.5072 2 P 4.0617 0.0000 0.0000 62.7755 32.0688 175.7917 3 D 4.3940 8.6789 121.8181 57.7167 41.5027 178.9366 4 F 4.5022 8.0327 113.7430 59.3706 37.7099 177.4845 5 C 4.7193 7.8035 116.3157 58.9569 40.1839 174.8213 6 L 4.1075 7.8634 119.8586 54.9326 41.8812 176.8158 7 E 4.2210 7.3743 117.9190 54.9408 30.3556 175.2152 8 P 4.3897 0.0000 0.0000 61.4550 32.1150 174.4417 9 P 3.7250 0.0000 0.0000 62.7405 31.4783 175.2522 10 Y 4.7614 8.2367 120.4952 56.2768 41.1822 175.3359 11 T 4.1375 7.9073 124.0328 64.7467 68.9294 175.9277 12 G 3.6447 6.9477 105.3243 43.8463 0.0000 171.1691 13 P 4.3119 0.0000 0.0000 65.0763 31.4705 177.9208 14 C 4.4604 7.8827 116.0523 57.0287 40.6317 173.3915 15 K 4.1636 8.2174 119.4428 56.4301 32.2337 176.6966 16 A 4.3160 7.6125 120.4260 51.3495 20.7347 177.6323 17 R 4.4376 8.4127 120.2445 54.4484 30.8631 174.0689 18 I 4.3440 8.3175 125.7297 58.8330 39.3819 174.9427 19 I 4.2176 8.3240 128.9707 61.5027 37.5435 175.7855 20 R 4.9024 8.9294 125.8655 54.5563 34.7383 173.7514 21 Y 5.5831 9.4103 117.3972 56.5075 40.9511 175.4651 22 F 5.6559 9.5103 118.0632 55.2048 42.1805 173.1945 23 Y 4.4367 10.0878 123.1044 57.2535 39.8713 173.9692 24 N 4.2974 8.4772 127.4399 52.1948 38.9542 175.3281 25 A 3.4900 8.3963 129.0495 55.1372 18.7650 178.4966 26 K 3.8879 8.1962 113.0571 59.5837 32.1236 178.2306 27 A 4.0783 7.8418 118.9953 52.3841 18.9116 178.2840 28 G 4.4423 8.2423 103.5921 45.4369 0.0000 173.0348 29 L 4.9698 7.0079 118.1611 53.9081 44.3951 175.6907 30 C 5.0050 8.7543 117.3873 56.7113 39.4566 172.8606 31 Q 4.8397 8.4401 121.4039 54.3160 32.9928 174.0246 32 T 5.1253 8.3963 109.9764 60.8522 70.8537 173.8538 33 F 5.0491 9.3565 117.7307 55.6646 41.9937 173.2368 34 V 4.1009 8.3258 119.5034 62.1606 32.5170 173.8445 35 Y 4.5350 8.6363 130.3518 56.2690 40.3164 176.4526 36 G 3.5701 8.2279 112.6748 46.1598 0.0000 175.2737 37 G 3.8237 6.5592 107.0758 45.0047 0.0000 172.1847 38 C 4.8072 7.2605 111.6973 55.3528 44.4654 173.5613 39 R 3.7657 8.7337 117.8792 57.4755 26.8051 176.5179 40 A 4.4392 8.0075 119.1081 52.1232 19.5163 177.6612 41 K 4.4133 8.1050 119.7007 54.5283 34.5099 177.1696 42 R 3.5485 8.1390 118.1526 59.4600 30.0751 177.9582 43 N 4.7189 8.0902 117.2374 52.2344 36.0940 173.8273 44 N 4.8250 6.6059 116.1185 52.9474 41.0364 173.1749 45 F 5.0975 9.7176 125.5796 55.2526 42.5350 176.9320 46 K 4.1080 9.0959 122.1336 59.3277 32.5846 177.3341 47 S 4.4095 7.7273 111.4572 55.7930 67.0847 174.7591 48 A 3.5783 7.1119 123.5453 55.1661 17.8790 179.0885 49 E 3.7268 7.9537 116.6264 60.1823 29.4965 179.0525 50 D 4.2886 7.8799 117.2115 57.6013 40.8959 178.0755 51 C 2.4500 7.7660 118.9203 59.3711 41.8340 175.5279 52 M 3.6659 8.3141 120.2387 58.3337 31.3951 178.6704 53 R 3.7242 7.8389 117.9914 59.4478 30.1428 178.1703 54 T 4.2310 7.3346 114.1170 65.8075 69.1377 175.7494 55 C 4.7663 8.0564 115.4241 55.2372 40.8215 173.4571 56 G 3.3472 7.9245 111.4035 47.6133 0.0000 172.4063 57 G 3.7972 9.7639 116.2903 45.5417 0.0000 171.9630 58 A 4.0308 8.2216 125.3396 52.8886 18.9540 175.8104 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 R 8.15 4.52 0.00 1.86 2.13 0.00 2.57 0.00 0.00 4.01 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.55 0.00 2 P 0.00 4.06 0.00 1.02 1.73 0.00 3.23 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.01 0.00 3 D 8.68 4.39 0.00 2.77 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 F 8.03 4.50 0.00 3.41 3.32 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 5 C 7.80 4.72 0.00 3.02 3.40 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 6 L 7.86 4.11 0.00 1.81 1.76 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.37 4.22 0.00 2.04 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 2.66 2.31 0.00 8 P 0.00 4.39 0.00 2.03 1.97 0.00 3.68 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 9 P 0.00 3.72 0.00 1.16 0.49 0.00 3.37 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.73 0.00 10 Y 8.24 4.76 0.00 2.82 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 11 T 7.91 4.14 4.08 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 1.14 0.00 0.00 12 G 6.95 3.64 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 13 P 0.00 4.31 0.00 2.16 2.18 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.01 0.00 14 C 7.88 4.46 0.00 2.83 2.92 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 15 K 8.22 4.16 0.00 1.67 1.74 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.31 7.81 16 A 7.61 4.32 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.41 4.44 0.00 1.74 1.79 0.00 3.15 0.00 0.00 3.19 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.00 18 I 8.32 4.34 2.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.48 1.02 0.00 0.00 19 I 8.32 4.22 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.71 0.81 0.00 0.00 20 R 8.93 4.90 0.00 1.13 2.05 0.00 3.54 0.00 0.00 3.49 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 21 Y 9.41 5.58 0.00 3.31 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 22 F 9.51 5.66 0.00 2.92 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 23 Y 10.09 4.44 0.00 3.08 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.48 4.30 0.00 2.42 2.53 0.00 0.00 6.62 7.90 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 25 A 8.40 3.49 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.20 3.89 0.00 1.86 1.89 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.46 7.81 27 A 7.84 4.08 1.19 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 0.00 0.00 28 G 8.24 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.01 4.97 0.00 1.66 1.72 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.75 5.00 0.00 2.90 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.44 4.84 0.00 1.50 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.73 0.00 0.00 0.00 0.00 0.00 2.17 2.11 0.00 32 T 8.40 5.13 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 33 F 9.36 5.05 0.00 2.99 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 34 V 8.33 4.10 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 0.83 0.00 0.00 0.89 0.00 0.00 35 Y 8.64 4.54 0.00 2.40 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 36 G 8.23 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 6.56 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 38 C 7.26 4.81 0.00 3.06 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 39 R 8.73 3.77 0.00 2.20 2.26 0.00 3.30 0.00 0.00 3.32 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 40 A 8.01 4.44 0.98 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 0.00 0.00 41 K 8.10 4.41 0.00 1.69 1.81 0.00 1.51 0.00 0.00 1.51 0.00 0.00 2.13 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.05 1.00 7.81 42 R 8.14 3.55 0.00 1.01 0.66 0.00 3.00 0.00 0.00 2.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.95 0.00 43 N 8.09 4.72 0.00 3.32 2.83 0.00 0.00 7.60 7.81 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 44 N 6.61 4.83 0.00 2.69 2.43 0.00 0.00 6.29 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 9.72 5.10 0.00 3.18 2.99 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 46 K 9.10 4.11 0.00 1.83 1.94 0.00 1.84 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.51 7.81 47 S 7.73 4.41 0.00 4.04 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 48 A 7.11 3.58 0.92 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 0.00 0.00 49 E 7.95 3.73 0.00 1.96 1.90 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 2.34 2.40 0.00 50 D 7.88 4.29 0.00 2.83 2.82 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 51 C 7.77 2.45 0.00 2.89 2.91 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 52 M 8.31 3.67 0.00 1.88 1.95 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.59 0.00 53 R 7.84 3.72 0.00 1.86 2.02 0.00 3.22 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 54 T 7.33 4.23 4.29 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 1.59 0.00 0.00 55 C 8.06 4.77 0.00 2.61 2.41 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 56 G 7.92 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 0.00 0.00 0.00 57 G 9.76 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 58 A 8.22 4.03 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