NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 R 4.2842 8.1133 117.2717 56.3126 30.7072 175.8710 11 T 3.3468 8.3737 111.9834 65.7248 68.2436 174.3466 12 G 3.7926 7.4932 108.2270 47.1730 0.0000 175.0782 13 R 4.0998 7.6542 116.4818 58.2238 29.9416 177.6977 14 F 5.0122 8.4828 118.6550 58.3879 39.4394 176.6228 15 G 3.7982 8.0684 107.9143 46.5008 0.0000 172.5977 16 P 4.7151 0.0000 0.0000 62.7269 31.7743 176.0249 17 R 4.1168 7.3303 117.3513 56.6199 31.6598 175.3836 18 Y 4.1598 8.0062 117.7360 57.0686 36.1735 170.5547 19 G 3.9840 8.0193 103.6845 44.6677 0.0000 173.1713 20 L 3.9784 8.1436 117.4417 57.9364 41.4651 179.7596 21 K 3.8707 8.0042 117.0772 59.8879 31.7915 179.0387 22 I 3.6665 7.8318 119.4060 64.6801 37.0551 178.4703 23 R 4.7536 7.7791 116.5801 58.3085 29.5361 178.8657 24 V 3.6048 8.0464 119.5022 66.0368 31.5001 178.1972 25 R 3.9852 7.9689 117.2814 58.7559 29.8503 179.2383 26 V 3.5565 7.4697 117.0831 65.6723 31.5547 177.9024 27 A 3.9569 8.2266 120.6105 55.3363 18.4020 178.9073 28 D 4.3500 8.1384 117.2895 57.7695 40.9028 179.4657 29 V 3.5672 7.8634 118.1006 66.3601 31.5601 178.0811 30 E 4.1628 8.3456 117.9865 59.0141 29.0039 179.2422 31 I 3.7430 8.2821 118.8188 63.9922 38.3486 177.8093 32 K 4.1870 8.0253 118.9679 59.6343 31.6757 178.6429 33 H 5.3067 8.3559 119.2375 58.6354 29.9115 176.5478 34 K 4.4259 8.2207 116.8957 55.5089 32.5672 177.2621 35 K 4.1623 7.0107 118.9117 55.7718 32.6300 176.9323 36 K 4.0899 8.3589 121.0683 56.8426 32.7575 176.2256 37 H 5.0071 8.1680 121.0598 53.7718 31.7800 173.7019 38 K 4.6759 8.6273 122.4694 55.7696 32.2993 176.5124 39 C 4.2773 9.2099 127.1592 59.1436 31.7071 172.1668 40 P 4.3390 0.0000 0.0000 65.7310 30.6374 177.7980 41 V 3.3434 6.8963 117.0696 65.1921 32.0437 178.3738 42 C 4.5300 7.5597 118.2913 57.4701 32.0679 173.2937 43 G 4.0923 8.5429 106.9829 45.6203 0.0000 173.4774 44 F 3.9239 8.1471 119.7549 56.6073 40.0423 175.9107 45 K 5.1713 7.7765 123.3077 55.3609 30.1049 177.1160 46 K 4.7956 7.7528 114.5665 56.1809 32.9195 177.6024 47 L 5.3305 8.1803 120.0608 53.3220 43.9600 176.4644 48 K 5.0836 9.1688 123.2022 54.1337 36.3212 176.0367 49 R 3.2965 8.7452 123.5054 56.2381 30.4028 176.2369 50 A 4.2910 8.7837 128.7305 51.8374 20.2973 177.2442 51 G 3.6524 6.8762 101.0641 46.2327 0.0000 171.0690 52 T 3.5106 8.2155 118.2505 64.9273 67.8546 174.1515 53 G 4.4278 8.4785 114.0903 46.4413 0.0000 170.8558 54 I 4.8526 7.1226 121.0571 59.0865 39.0368 174.8552 55 W 5.3970 9.2251 126.1113 55.2770 33.3610 174.0151 56 M 4.9181 9.0434 121.3409 54.3324 36.1835 172.9594 57 C 5.8015 8.5079 124.1043 56.9684 32.9919 175.0166 58 G 3.2764 9.0755 115.8519 48.3243 0.0000 173.7370 59 H 4.3531 8.1603 119.8274 58.3404 30.1986 175.4737 60 C 4.3193 8.0730 112.5555 57.6131 30.5337 174.6767 61 G 3.9383 9.0510 110.0920 44.8553 0.0000 173.0384 62 Y 4.3071 7.9565 121.1840 58.4927 39.6762 174.7066 63 K 4.8795 8.4174 127.9182 54.6336 33.8509 175.0122 64 I 4.4355 9.6043 120.7770 58.9290 41.2289 173.9553 65 A 5.0268 8.4621 124.6453 50.7738 20.2799 176.5681 66 G 4.3157 8.1897 110.4245 45.6268 0.0000 171.9443 67 G 4.0784 8.3015 110.6416 45.4444 0.0000 174.2215 68 C 4.0863 8.5035 116.0306 61.9296 28.3382 174.5154 69 Y 5.0140 7.8528 113.3846 57.5436 39.4369 174.7853 70 Q 4.7524 8.0642 118.9163 53.2538 33.2157 174.1885 71 P 2.9700 0.0000 0.0000 64.1473 31.5720 176.0998 72 E 4.7910 7.5229 117.0590 53.9819 32.6514 175.5394 73 T 4.6459 7.9776 112.6664 59.7202 72.6115 175.5678 74 V 3.5778 8.3741 120.8880 66.2536 31.2753 177.8051 75 A 4.2721 8.0137 120.1901 54.7885 18.5793 179.5614 76 G 3.6194 7.9850 104.2395 47.8957 0.0000 176.1258 77 K 4.0741 7.9739 120.2276 59.2130 31.9735 179.3023 78 A 4.1191 7.7694 120.4589 54.8212 17.9480 179.9568 79 V 3.5212 7.1580 115.4916 66.4420 31.7230 176.9417 80 M 4.1054 7.3329 115.6191 58.4907 31.3659 177.6802 81 K 3.8695 7.5152 116.2908 57.3796 32.7426 176.7936 82 A 4.1692 7.6434 129.3473 52.8896 18.1189 177.5389 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 10 R 8.11 4.28 0.00 1.99 2.11 0.00 2.94 0.00 0.00 3.34 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 11 T 8.37 3.35 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 1.33 0.00 0.00 12 G 7.49 3.79 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 0.00 0.00 0.00 13 R 7.65 4.10 0.00 1.89 1.96 0.00 2.85 0.00 0.00 3.05 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.11 0.00 14 F 8.48 5.01 0.00 3.37 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 15 G 8.07 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 16 P 0.00 4.72 0.00 2.14 2.11 0.00 3.69 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.93 0.00 17 R 7.33 4.12 0.00 0.67 0.66 0.00 2.91 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.28 0.00 18 Y 8.01 4.16 0.00 3.02 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 19 G 8.02 3.98 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 0.00 20 L 8.14 3.98 0.00 1.71 1.69 0.93 0.90 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 21 K 8.00 3.87 0.00 1.80 1.88 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.56 7.81 22 I 7.83 3.67 2.01 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 1.62 1.11 0.79 0.00 0.00 23 R 7.78 4.75 0.00 2.40 2.53 0.00 3.22 0.00 0.00 3.49 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.59 0.00 24 V 8.05 3.60 2.21 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 1.04 0.00 0.00 1.00 0.00 0.00 25 R 7.97 3.99 0.00 2.12 1.93 0.00 3.16 0.00 0.00 3.08 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 26 V 7.47 3.56 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.13 0.00 0.00 27 A 8.23 3.96 1.40 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 0.00 0.00 28 D 8.14 4.35 0.00 2.96 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.86 3.57 1.96 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 0.64 0.00 0.00 0.83 0.00 0.00 30 E 8.35 4.16 0.00 2.13 2.05 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 2.35 2.53 0.00 31 I 8.28 3.74 1.96 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 0.77 1.00 0.00 0.00 32 K 8.03 4.19 0.00 2.23 1.94 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.48 7.81 33 H 8.36 5.31 0.00 3.45 3.61 0.00 5.78 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 34 K 8.22 4.43 0.00 1.80 1.85 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.64 7.81 35 K 7.01 4.16 0.00 1.86 1.66 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.67 7.81 36 K 8.36 4.09 0.00 1.70 1.87 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.43 7.81 37 H 8.17 5.01 0.00 3.39 3.04 0.00 5.61 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.63 4.68 0.00 1.63 1.76 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.41 7.81 39 C 9.21 4.28 0.00 3.08 2.94 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 40 P 0.00 4.34 0.00 2.27 2.16 0.00 4.00 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.12 0.00 41 V 6.90 3.34 1.70 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 0.63 0.00 0.00 -0.50 0.00 0.00 42 C 7.56 4.53 0.00 3.16 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 43 G 8.54 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 44 F 8.15 3.92 0.00 3.01 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 45 K 7.78 5.17 0.00 1.55 1.75 0.00 1.61 0.00 0.00 2.29 0.00 0.00 2.82 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.13 7.81 46 K 7.75 4.80 0.00 1.84 1.88 0.00 1.99 0.00 0.00 1.99 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.74 7.81 47 L 8.18 5.33 0.00 1.79 1.77 0.99 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 48 K 9.17 5.08 0.00 1.72 1.69 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.43 7.81 49 R 8.75 3.30 0.00 1.00 1.40 0.00 2.99 0.00 0.00 2.95 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.50 0.00 50 A 8.78 4.29 1.16 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 0.00 0.00 51 G 6.88 3.65 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 0.00 0.00 0.00 52 T 8.22 3.51 4.14 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 1.08 0.00 0.00 53 G 8.48 4.43 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 0.00 0.00 0.00 54 I 7.12 4.85 1.67 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 1.15 1.07 0.82 0.00 0.00 55 W 9.23 5.40 0.00 3.18 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 M 9.04 4.92 0.00 2.10 1.83 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.54 0.00 57 C 8.51 5.80 0.00 3.18 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 58 G 9.08 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 H 8.16 4.35 0.00 3.13 3.36 0.00 5.91 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 C 8.07 4.32 0.00 3.05 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 61 G 9.05 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 62 Y 7.96 4.31 0.00 3.03 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 63 K 8.42 4.88 0.00 1.71 1.54 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.25 1.35 7.81 64 I 9.60 4.44 1.88 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 0.98 1.24 0.88 0.00 0.00 65 A 8.46 5.03 1.25 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 0.00 0.00 66 G 8.19 4.32 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 0.00 67 G 8.30 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 0.00 0.00 0.00 0.00 68 C 8.50 4.09 0.00 2.38 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 69 Y 7.85 5.01 0.00 3.13 2.87 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 0.00 0.00 0.00 70 Q 8.06 4.75 0.00 2.11 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 71 P 0.00 2.97 0.00 1.64 0.98 0.00 2.96 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.23 0.00 72 E 7.52 4.79 0.00 1.81 1.77 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 2.09 2.09 0.00 73 T 7.98 4.65 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 1.22 0.00 0.00 74 V 8.37 3.58 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 0.87 0.00 0.00 0.94 0.00 0.00 75 A 8.01 4.27 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 76 G 7.98 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.97 4.07 0.00 1.94 1.85 0.00 1.66 0.00 0.00 1.63 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.58 1.65 7.81 78 A 7.77 4.12 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 79 V 7.16 3.52 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.95 0.00 0.00 80 M 7.33 4.11 0.00 2.09 2.27 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 2.81 2.54 0.00 81 K 7.52 3.87 0.00 1.87 1.71 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.60 7.81 82 A 7.64 4.17 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00