NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5351 8.1633 120.6121 55.6094 33.9673 174.3328 2 Y 5.0789 8.5441 124.1318 55.4875 39.2403 175.2632 3 K 4.1015 8.8111 124.6880 59.5644 33.1317 178.6811 4 K 4.0379 8.2796 119.5535 59.3792 32.1065 178.4009 5 D 4.4022 8.2533 119.3466 57.0733 40.8561 178.6485 6 V 3.7929 7.9434 118.2222 66.4827 31.6044 177.9969 7 I 3.8590 8.1835 119.3135 64.4344 36.6540 177.8256 8 D 4.5519 7.6205 117.6314 56.9930 41.1196 177.1957 9 H 4.3716 8.1110 118.0183 58.2051 30.0272 176.3601 10 F 4.4327 8.7129 118.6749 57.1326 39.4034 176.3609 11 G 4.4579 9.1167 111.2550 45.1325 0.0000 173.6238 12 T 4.6753 7.4775 109.9361 58.4307 71.7654 174.1833 13 Q 3.8447 8.9808 124.2066 59.9786 28.2503 179.3605 14 R 3.8200 8.1573 119.4327 58.7648 29.9428 178.6989 15 A 3.9806 8.0883 120.4569 55.1634 18.4988 179.6342 16 V 2.0000 7.4116 115.9617 65.7922 31.4580 177.8808 17 A 3.9076 7.5911 120.0181 54.9868 17.8937 179.4849 18 K 4.0869 7.5834 116.8655 59.0905 32.2931 178.8788 19 A 4.2243 7.6729 120.6792 55.2986 18.5300 179.2888 20 L 4.2835 7.7541 116.1565 56.2277 41.8468 178.1912 21 G 4.1585 8.2340 106.7254 45.5508 0.0000 172.6045 22 I 4.4950 7.8566 113.3333 58.4676 39.9006 174.8122 23 S 4.5508 8.0614 115.9346 57.3963 64.0962 175.3230 24 D 4.2009 8.4536 121.6481 56.4662 38.8507 178.5342 25 A 3.9079 8.1007 122.8693 54.3861 18.1990 179.1628 26 A 3.7854 7.2298 117.1622 55.1020 18.6518 179.8218 27 V 2.0000 6.9393 116.2464 65.3643 31.1114 178.3424 28 S 4.0260 7.5246 113.8743 61.3756 62.5398 176.0673 29 Q 4.0639 7.9767 122.3353 57.3014 28.9205 176.2382 30 W 4.7270 7.0534 119.2715 57.1623 30.2092 174.9565 31 K 4.9259 8.1201 118.1371 54.8958 34.6930 176.3352 32 E 3.6463 8.7493 117.3929 59.6002 29.4296 176.7792 33 V 4.5546 6.9416 116.5058 60.3444 33.5915 175.7578 34 I 3.3193 7.9402 121.5786 60.1949 38.0320 174.1499 35 P 4.2315 0.0000 0.0000 62.9473 32.0757 177.1261 36 E 3.4801 8.6246 122.6744 58.6020 29.7377 178.9917 37 K 3.9948 7.8340 117.6599 58.5421 32.3544 178.8364 38 D 4.4753 7.7490 118.9376 57.1101 40.7648 178.3935 39 A 3.9887 7.8080 120.2251 55.4566 18.5007 178.2802 40 Y 4.1191 7.9162 118.5509 60.6509 38.7959 178.0481 41 R 3.8654 8.3039 117.9154 59.2796 30.4717 179.1499 42 L 4.1360 8.0036 118.9020 57.7951 41.5966 179.0069 43 E 4.0380 8.3472 118.9028 58.4082 29.3886 178.7935 44 I 3.7978 7.6053 120.0370 63.9843 37.4015 178.3816 45 V 3.6431 7.7941 111.4185 64.6859 31.5169 177.2238 46 T 4.0464 7.8278 106.4920 61.3458 68.6423 174.1484 47 A 3.5628 8.5519 123.9478 53.7995 16.2699 178.3988 48 G 3.7885 8.6868 105.2601 47.8813 0.0000 176.2898 49 A 3.9999 7.4141 122.6106 54.2842 18.5887 178.4837 50 L 4.4726 7.5261 114.5716 52.8363 42.8595 176.7000 51 K 4.3908 8.5352 123.8492 56.0657 33.2681 176.1774 52 Y 4.1538 8.8485 125.9870 57.2580 39.4669 174.3411 53 Q 4.9086 8.2620 123.7966 54.6357 31.8256 174.7428 54 E 4.7158 8.8097 119.7598 57.0011 29.7051 177.6211 55 N 4.4656 7.9098 117.0221 55.6000 39.5307 176.9405 56 A 4.1295 7.2358 118.6223 53.2328 19.1166 177.1603 57 Y 4.8189 7.2674 112.8669 57.5983 38.5039 175.9567 58 R 4.5267 7.9444 120.4337 54.7808 31.1147 174.2787 59 Q 4.4460 8.2761 123.4167 53.4160 29.9730 175.7051 60 A 4.6888 7.7355 125.9003 50.8869 20.2824 176.5770 61 A 4.2465 7.5402 127.4878 51.7755 19.4247 176.4357 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 M 8.16 4.54 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.61 0.00 2 Y 8.54 5.08 0.00 3.35 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 3 K 8.81 4.10 0.00 2.06 1.92 0.00 1.88 0.00 0.00 1.91 0.00 0.00 3.12 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.95 1.94 7.81 4 K 8.28 4.04 0.00 1.98 1.96 0.00 1.85 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.56 7.81 5 D 8.25 4.40 0.00 2.97 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 6 V 7.94 3.79 2.35 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 1.51 0.00 0.00 1.06 0.00 0.00 7 I 8.18 3.86 1.98 0.00 0.00 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 1.49 0.88 0.98 0.00 0.00 8 D 7.62 4.55 0.00 3.14 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 9 H 8.11 4.37 0.00 3.19 3.49 0.00 5.99 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 F 8.71 4.43 0.00 3.23 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 11 G 9.12 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.48 4.68 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 1.23 0.00 0.00 13 Q 8.98 3.84 0.00 2.11 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 14 R 8.16 3.82 0.00 1.84 2.03 0.00 3.10 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 15 A 8.09 3.98 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.41 2.00 1.68 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 0.66 0.00 0.00 0.62 0.00 0.00 17 A 7.59 3.91 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 18 K 7.58 4.09 0.00 1.95 1.93 0.00 1.86 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.60 7.81 19 A 7.67 4.22 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.75 4.28 0.00 1.73 1.83 1.22 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.23 4.16 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 0.00 22 I 7.86 4.50 1.86 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 1.32 0.66 0.97 0.00 0.00 23 S 8.06 4.55 0.00 3.84 3.75 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 24 D 8.45 4.20 0.00 2.75 2.83 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 25 A 8.10 3.91 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 A 7.23 3.79 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 27 V 6.94 2.00 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 0.35 0.00 0.00 0.45 0.00 0.00 28 S 7.52 4.03 0.00 4.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.98 4.06 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.90 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 30 W 7.05 4.73 0.00 3.54 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 31 K 8.12 4.93 0.00 1.73 1.69 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.47 7.81 32 E 8.75 3.65 0.00 1.81 1.44 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 2.24 2.25 0.00 33 V 6.94 4.55 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 0.76 0.00 0.00 0.64 0.00 0.00 34 I 7.94 3.32 0.83 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.53 0.20 0.00 0.00 35 P 0.00 4.23 0.00 2.23 1.98 0.00 2.20 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.04 0.00 36 E 8.62 3.48 0.00 1.99 1.87 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 2.29 2.27 0.00 37 K 7.83 3.99 0.00 1.77 1.83 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.41 7.81 38 D 7.75 4.48 0.00 2.27 2.39 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.81 3.99 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 40 Y 7.92 4.12 0.00 3.08 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 41 R 8.30 3.87 0.00 2.10 2.04 0.00 3.60 0.00 0.00 3.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.92 0.00 42 L 8.00 4.14 0.00 1.90 1.81 0.83 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.35 4.04 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.56 0.00 44 I 7.61 3.80 1.93 0.00 0.00 0.72 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 0.24 0.88 0.00 0.00 45 V 7.79 3.64 2.30 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 0.83 0.00 0.00 1.28 0.00 0.00 46 T 7.83 4.05 3.92 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 0.96 0.00 0.00 47 A 8.55 3.56 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 48 G 8.69 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 49 A 7.41 4.00 1.30 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 0.00 0.00 0.00 50 L 7.53 4.47 0.00 1.65 1.63 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 51 K 8.54 4.39 0.00 1.91 1.86 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.45 7.81 52 Y 8.85 4.15 0.00 3.05 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 8.26 4.91 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.44 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 54 E 8.81 4.72 0.00 2.10 2.10 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 2.56 2.48 0.00 55 N 7.91 4.47 0.00 2.80 2.74 0.00 0.00 7.10 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 56 A 7.24 4.13 0.84 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 57 Y 7.27 4.82 0.00 3.14 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 58 R 7.94 4.53 0.00 1.96 1.83 0.00 3.36 0.00 0.00 3.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 59 Q 8.28 4.45 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.11 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 60 A 7.74 4.69 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 61 A 7.54 4.25 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