NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3165 8.4449 121.4768 56.3303 30.0718 174.2436 3 Q 4.2958 8.1346 119.5755 53.8098 30.8956 172.7471 4 R 4.8874 8.6913 123.1229 55.0135 31.9551 174.7908 5 I 4.8614 8.6420 125.4371 59.6610 42.3516 174.3743 6 T 4.2712 8.5485 122.9806 63.1104 69.0280 175.2718 7 L 3.8670 8.3372 126.9870 58.2459 42.0252 179.1672 8 K 3.8362 8.0142 118.9139 59.8467 31.8985 177.3544 9 D 4.3981 8.1882 117.2763 57.8893 41.0498 177.5560 10 Y 4.0555 8.5956 119.7187 60.7810 38.8237 178.0777 11 A 4.2116 9.3090 122.5576 55.5699 18.2740 179.5628 12 M 4.0633 8.4043 116.7792 58.3435 32.0294 179.0524 13 R 3.6507 7.7262 117.7347 59.1050 30.2739 178.6583 14 F 4.4554 7.7148 115.4983 56.7744 39.3350 176.7258 15 G 3.9395 8.5334 107.8729 46.0704 0.0000 174.0021 16 Q 4.0556 9.1022 123.6353 59.5045 28.6146 179.7652 17 T 3.8075 7.9398 109.7948 64.8061 67.9251 175.8247 18 K 4.0939 8.1235 122.7579 59.9256 32.2002 177.7438 19 T 4.1238 7.9838 113.8124 66.9480 68.0201 175.7772 20 A 3.9623 8.9729 122.2856 55.4766 18.6539 179.4403 21 K 3.7825 8.8669 118.7952 60.0882 32.0584 178.4527 22 D 4.2104 9.1923 117.4843 57.0485 40.7831 178.0772 23 L 4.3564 8.0291 117.0422 53.3552 43.1529 176.4844 24 G 3.8438 8.7295 107.9990 45.0698 0.0000 173.3211 25 V 4.4981 7.3096 115.0887 60.9402 35.0405 173.4391 26 Y 4.1515 8.8880 119.2442 58.0757 38.7127 176.7393 27 Q 3.9370 8.8075 126.3502 59.4180 29.3959 179.4933 28 S 4.1217 8.4436 114.5848 62.1791 62.5462 175.3898 29 A 4.0104 9.0517 124.2679 55.7883 18.0085 179.4408 30 I 3.3309 7.9541 113.0182 64.3047 37.4978 177.8612 31 N 3.9624 8.8495 117.1510 56.7538 39.2438 176.6306 32 K 3.7622 9.0353 121.0256 59.9250 32.1872 178.1879 33 A 3.9775 8.7848 121.1014 55.5424 18.1214 179.7816 34 I 3.6465 8.1932 118.0364 64.9892 37.1376 178.4021 35 H 4.0961 8.4549 115.5938 58.7696 28.5372 177.1716 36 A 4.1719 8.7281 123.3148 53.2548 18.0996 178.2002 37 G 3.7880 8.1359 104.0850 46.2476 0.0000 173.7526 38 R 4.1071 7.4556 118.2671 55.6922 31.1479 177.0170 39 K 4.2584 8.6207 122.5936 55.7328 33.1673 175.7646 40 I 5.2663 7.5257 124.9105 59.7506 42.1025 174.3933 41 F 5.3123 9.7261 122.9208 56.0140 43.5822 173.9587 42 L 5.1074 9.1737 122.3572 53.8567 44.4922 175.7412 43 T 5.0667 8.6535 117.1853 62.1694 71.6753 173.1277 44 I 4.9486 8.5384 127.3540 59.9288 39.6379 174.9908 45 N 5.0848 8.1605 121.6685 51.4661 40.8496 175.2637 46 A 3.7040 7.5947 118.9048 55.3616 19.5688 178.5871 47 D 4.3589 7.9424 117.3152 54.9573 39.5759 178.0271 48 G 4.1012 8.7232 107.7091 45.0367 0.0000 173.8286 49 S 4.3567 8.6104 114.7033 57.9026 63.7989 173.1726 50 V 4.9379 7.9930 120.5295 61.3946 34.7303 173.9036 51 Y 4.8342 8.8136 125.3818 55.7292 42.3504 173.7715 52 A 5.7460 7.5419 126.4345 48.8360 22.0941 174.8451 53 E 4.7065 8.7497 119.0244 54.3340 33.4493 174.2629 54 E 5.2714 8.7419 120.4842 54.4960 32.7702 174.7803 55 V 4.5537 8.6102 125.3135 61.1198 33.3300 174.9129 56 K 4.7194 8.4837 127.3141 53.9261 35.4314 173.5979 57 P 4.5435 0.0000 0.0000 62.3739 32.2283 175.1794 58 F 4.7311 8.6392 123.0614 55.7868 40.8432 173.2865 59 P 2.9700 0.0000 0.0000 60.4474 32.6920 176.5708 60 S 3.8663 8.5855 114.6751 61.7260 62.7664 174.3136 61 N 4.4346 7.3738 121.3411 53.3826 38.1727 174.5193 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 2 E 8.44 4.32 0.00 1.96 1.98 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 2.21 2.36 0.00 3 Q 8.13 4.30 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.65 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 4 R 8.69 4.89 0.00 1.86 1.88 0.00 3.22 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 5 I 8.64 4.86 2.01 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.51 1.15 0.00 0.00 6 T 8.55 4.27 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 1.21 0.00 0.00 7 L 8.34 3.87 0.00 1.68 1.56 0.90 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.01 3.84 0.00 1.80 1.76 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.51 7.81 9 D 8.19 4.40 0.00 2.79 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 10 Y 8.60 4.06 0.00 3.20 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 11 A 9.31 4.21 1.41 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 0.00 0.00 12 M 8.40 4.06 0.00 1.88 2.09 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 13 R 7.73 3.65 0.00 0.67 0.94 0.00 3.01 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.40 0.00 14 F 7.71 4.46 0.00 2.76 3.04 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 0.00 0.00 0.00 15 G 8.53 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 16 Q 9.10 4.06 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.83 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 17 T 7.94 3.81 4.26 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 0.00 0.00 0.00 1.21 0.00 0.00 18 K 8.12 4.09 0.00 1.90 1.97 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.76 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.54 1.55 7.81 19 T 7.98 4.12 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 20 A 8.97 3.96 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.87 3.78 0.00 1.69 1.99 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.46 7.81 22 D 9.19 4.21 0.00 2.64 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 23 L 8.03 4.36 0.00 1.53 1.61 0.81 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.73 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 0.00 0.00 0.00 25 V 7.31 4.50 2.12 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 0.65 0.00 0.00 1.00 0.00 0.00 26 Y 8.89 4.15 0.00 3.03 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 27 Q 8.81 3.94 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.82 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 28 S 8.44 4.12 0.00 4.13 4.18 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 29 A 9.05 4.01 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 30 I 7.95 3.33 2.10 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 1.62 1.02 0.93 0.00 0.00 31 N 8.85 3.96 0.00 2.92 2.98 0.00 0.00 6.99 6.79 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 32 K 9.04 3.76 0.00 2.09 1.90 0.00 1.72 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.51 7.81 33 A 8.78 3.98 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 0.00 0.00 34 I 8.19 3.65 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.67 0.77 0.00 0.00 35 H 8.45 4.10 0.00 3.17 3.40 0.00 5.87 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.73 4.17 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 37 G 8.14 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 38 R 7.46 4.11 0.00 1.84 1.85 0.00 3.16 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.61 0.00 39 K 8.62 4.26 0.00 1.95 1.90 0.00 1.69 0.00 0.00 1.95 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.48 7.81 40 I 7.53 5.27 1.74 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 1.25 0.95 0.91 0.00 0.00 41 F 9.73 5.31 0.00 2.85 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 42 L 9.17 5.11 0.00 1.71 1.44 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.65 5.07 4.57 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 1.28 0.00 0.00 44 I 8.54 4.95 1.94 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.34 0.95 0.00 0.00 45 N 8.16 5.08 0.00 2.96 2.69 0.00 0.00 6.85 8.74 0.00 0.00 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 A 7.59 3.70 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 47 D 7.94 4.36 0.00 2.77 2.84 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 48 G 8.72 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 0.00 0.00 0.00 0.00 49 S 8.61 4.36 0.00 4.04 4.01 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 50 V 7.99 4.94 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 0.68 0.00 0.00 0.88 0.00 0.00 51 Y 8.81 4.83 0.00 3.08 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 52 A 7.54 5.75 0.96 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 53 E 8.75 4.71 0.00 2.09 2.19 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 2.41 2.34 0.00 54 E 8.74 5.27 0.00 1.98 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 2.22 2.50 0.00 55 V 8.61 4.55 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 0.85 0.00 0.00 1.02 0.00 0.00 56 K 8.48 4.72 0.00 1.75 1.67 0.00 1.87 0.00 0.00 1.82 0.00 0.00 3.09 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.46 7.81 57 P 0.00 4.54 0.00 2.22 2.05 0.00 3.82 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 58 F 8.64 4.73 0.00 3.11 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 59 P 0.00 2.97 0.00 1.79 1.12 0.00 3.50 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.59 0.00 60 S 8.59 3.87 0.00 3.99 4.12 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 61 N 7.37 4.43 0.00 2.56 2.74 0.00 0.00 6.90 7.44 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