NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.2731 0.0000 0.0000 62.0236 32.7234 175.5174 2 Q 3.8969 8.4772 120.3496 55.8445 28.0837 173.8808 3 F 4.2606 9.3916 133.2668 60.1821 40.1025 173.4073 4 G 3.8253 7.3636 102.7261 43.7892 0.0000 172.6781 5 L 5.0151 8.3981 116.4725 55.0758 41.7866 177.4103 6 F 4.1974 8.2554 120.7673 59.6035 39.7305 175.4021 7 S 4.3766 7.9147 116.0705 58.3066 61.4118 172.7537 8 K 4.1457 8.3972 127.6389 54.4284 30.5836 177.9530 9 Y 4.7893 6.7062 117.0014 58.0839 43.8928 171.7239 10 R 4.7307 8.0522 121.0125 55.0820 31.6358 176.5238 11 T 4.3826 8.5393 117.9926 60.6163 69.7339 172.9582 12 P 4.4018 0.0000 0.0000 63.0072 32.5658 176.4416 13 N 4.6928 8.5973 119.8033 52.2252 37.5284 174.7066 14 C 4.6218 8.0946 121.9318 55.0827 42.3849 173.1312 15 S 4.7834 7.8735 121.5879 56.9946 63.8605 173.8764 16 Q 4.2551 7.5906 118.1019 56.8700 30.1409 173.1113 17 Y 3.8621 8.1746 113.7533 60.0828 35.1400 170.7298 18 R 4.3059 7.9723 119.3275 54.9061 28.4423 174.7753 19 L 4.7712 7.3170 121.5644 51.9921 44.4877 176.2004 20 P 4.4822 0.0000 0.0000 64.9088 32.5247 176.8601 21 G 3.8134 7.1540 112.0419 44.7210 0.0000 174.5014 22 C 4.6309 8.6808 125.7249 55.2100 42.9890 171.5391 23 P 4.7112 0.0000 0.0000 61.9990 32.7620 176.2470 24 R 4.0114 8.5355 120.2441 55.9134 29.1920 175.4200 25 H 4.7604 8.5313 114.4303 54.3705 31.9460 173.3374 26 F 4.9324 7.9253 117.2387 56.1881 40.4298 174.1790 27 N 4.9015 8.3981 120.3204 50.4107 39.1893 172.9155 28 P 4.2640 0.0000 0.0000 65.0504 32.1170 177.1694 29 V 4.4772 8.2864 110.7402 60.0301 34.8116 174.1507 30 C 5.2107 9.1092 119.1035 55.2362 37.8215 173.6652 31 G 4.5070 8.4710 110.2417 44.1006 0.0000 175.2773 32 S 4.3398 8.5379 119.6481 61.1622 63.3373 174.8682 33 D 4.6009 8.1788 118.7859 54.1109 40.8291 175.7468 34 M 2.8994 7.7408 117.8720 55.3513 30.4286 177.0395 35 S 4.1243 6.7645 114.1534 57.8074 67.4273 175.5065 36 T 4.4205 8.2546 123.4241 63.4436 68.5311 173.7363 37 Y 5.5724 9.2697 124.5610 56.8461 41.8862 172.6869 38 A 4.6133 7.8993 132.6800 52.4114 20.8807 175.8161 39 N 3.1400 6.7864 118.9300 52.9028 39.3494 175.5328 40 E 4.0826 7.7768 117.6415 58.4759 29.7627 178.3933 41 C 4.8008 8.6575 114.2535 57.0273 38.4352 175.3256 42 T 4.1938 7.5613 110.4700 63.5400 68.7846 176.5934 43 L 3.6699 7.1968 121.3326 56.5639 42.2820 179.9937 44 C 3.9485 8.3431 116.4811 59.6599 40.7189 176.0172 45 M 3.9592 7.7058 120.7636 58.4543 32.3277 178.0891 46 K 3.8908 7.7330 119.5580 59.6238 32.0382 178.5570 47 I 3.8739 8.6810 120.4528 63.1634 37.9465 177.7222 48 R 4.1610 7.7139 116.9881 58.4459 29.4616 176.6186 49 E 5.1836 7.3444 115.5798 55.8963 30.6790 177.5028 50 G 3.7071 8.4274 111.4532 48.3676 0.0000 174.5703 51 G 3.9649 8.3951 107.5292 46.1132 0.0000 173.1024 52 H 4.6603 7.4142 114.6935 54.3818 32.5188 172.5854 53 N 4.8373 8.5169 118.8519 52.5446 37.2748 173.9854 54 I 3.9086 8.1060 124.3372 61.5154 38.0783 175.1050 55 K 4.6714 8.6297 125.6145 54.7497 34.7791 175.4469 56 I 4.0190 7.8103 118.4053 60.9431 37.8397 176.2051 57 I 3.1765 8.7866 125.9374 63.0757 38.7548 176.3425 58 R 4.7408 7.6173 120.3757 54.1086 33.5238 176.0497 59 N 4.6809 9.1413 120.0189 53.5664 37.9812 174.6318 60 G 4.0879 7.4956 106.2676 44.4657 0.0000 170.6463 61 P 4.2888 0.0000 0.0000 63.5729 31.8095 177.1076 62 C 4.5646 8.5091 117.8293 57.2913 42.2019 173.9596 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 P 0.00 4.27 0.00 2.10 2.12 0.00 3.65 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 1.94 2.09 0.00 2 Q 8.48 3.90 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.39 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 3 F 9.39 4.26 0.00 3.15 3.25 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 0.00 0.00 0.00 0.00 4 G 7.36 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 5 L 8.40 5.02 0.00 2.05 1.98 1.08 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 6 F 8.26 4.20 0.00 2.91 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 7 S 7.91 4.38 0.00 4.12 4.03 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 0.00 0.00 0.00 0.00 8 K 8.40 4.15 0.00 2.03 2.02 0.00 1.88 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.41 7.81 9 Y 6.71 4.79 0.00 2.93 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 10 R 8.05 4.73 0.00 2.01 1.80 0.00 3.45 0.00 0.00 3.47 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.62 0.00 11 T 8.54 4.38 4.25 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 0.00 0.00 0.00 1.32 0.00 0.00 12 P 0.00 4.40 0.00 2.09 2.08 0.00 3.90 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 13 N 8.60 4.69 0.00 2.71 2.79 0.00 0.00 7.03 7.79 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 14 C 8.09 4.62 0.00 2.98 3.03 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 0.00 0.00 0.00 0.00 15 S 7.87 4.78 0.00 3.79 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 16 Q 7.59 4.26 0.00 1.76 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.62 6.54 0.00 0.00 0.00 0.00 0.00 1.77 1.16 0.00 17 Y 8.17 3.86 0.00 3.23 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 18 R 7.97 4.31 0.00 1.75 1.87 0.00 3.27 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 19 L 7.32 4.77 0.00 1.94 1.63 0.97 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.48 0.00 2.18 2.18 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 21 G 7.15 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 22 C 8.68 4.63 0.00 2.86 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 23 P 0.00 4.71 0.00 2.22 2.07 0.00 3.95 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 2.02 2.03 0.00 24 R 8.54 4.01 0.00 2.33 2.29 0.00 3.27 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.75 0.00 25 H 8.53 4.76 0.00 3.11 3.16 0.00 5.74 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 7.93 4.93 0.00 3.09 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 27 N 8.40 4.90 0.00 2.72 2.80 0.00 0.00 7.11 8.03 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 28 P 0.00 4.26 0.00 2.15 2.22 0.00 3.71 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 29 V 8.29 4.48 2.25 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 0.91 0.00 0.00 1.06 0.00 0.00 30 C 9.11 5.21 0.00 3.04 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 31 G 8.47 4.51 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 0.00 0.00 0.00 32 S 8.54 4.34 0.00 4.07 4.13 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 33 D 8.18 4.60 0.00 2.80 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 34 M 7.74 2.90 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 35 S 6.76 4.12 0.00 2.84 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 36 T 8.25 4.42 4.15 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 1.21 0.00 0.00 37 Y 9.27 5.57 0.00 2.80 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 38 A 7.90 4.61 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 6.79 3.14 0.00 2.38 1.86 0.00 0.00 5.26 7.33 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 40 E 7.78 4.08 0.00 2.28 1.95 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 2.50 2.38 0.00 41 C 8.66 4.80 0.00 2.92 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 42 T 7.56 4.19 4.36 0.00 0.00 0.00 0.00 0.00 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 43 L 7.20 3.67 0.00 1.48 1.47 0.75 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 44 C 8.34 3.95 0.00 3.06 3.15 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 45 M 7.71 3.96 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.50 0.00 46 K 7.73 3.89 0.00 2.15 1.76 0.00 1.64 0.00 0.00 1.67 0.00 0.00 3.15 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.57 1.60 7.81 47 I 8.68 3.87 1.89 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.56 0.91 0.00 0.00 48 R 7.71 4.16 0.00 1.94 2.03 0.00 3.17 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.62 0.00 49 E 7.34 5.18 0.00 2.04 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 2.01 2.06 0.00 50 G 8.43 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 51 G 8.40 3.96 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 0.00 0.00 0.00 52 H 7.41 4.66 0.00 3.21 3.18 0.00 5.63 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.52 4.84 0.00 2.69 2.77 0.00 0.00 6.86 7.93 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 54 I 8.11 3.91 1.76 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.65 0.86 0.00 0.00 55 K 8.63 4.67 0.00 1.78 1.98 0.00 1.58 0.00 0.00 2.09 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.49 7.81 56 I 7.81 4.02 2.17 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 1.25 0.50 0.94 0.00 0.00 57 I 8.79 3.18 1.91 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.08 0.92 0.00 0.00 58 R 7.62 4.74 0.00 1.70 1.93 0.00 3.34 0.00 0.00 3.41 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 59 N 9.14 4.68 0.00 2.85 2.93 0.00 0.00 5.98 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 60 G 7.50 4.09 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 0.00 0.00 0.00 61 P 0.00 4.29 0.00 2.07 2.05 0.00 3.65 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 2.06 2.17 0.00 62 C 8.51 4.56 0.00 2.89 2.90 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