NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4149 8.3049 120.3312 55.6914 32.2683 175.5224 2 I 2.5981 8.1064 118.8747 60.7627 35.8651 169.3036 3 V 2.8927 8.4831 125.0743 62.1367 32.3902 173.7441 4 P 3.9964 0.0000 0.0000 62.9531 31.5113 176.1115 5 V 3.5746 8.2351 123.2246 63.3454 31.8518 172.4571 6 R 4.1036 8.5559 132.3729 55.5188 30.2168 175.3453 7 C 3.9934 8.2729 122.0569 59.0142 31.6626 173.8205 8 F 4.1386 7.6085 126.0226 61.1662 38.2834 177.0464 9 S 3.9631 7.6210 115.3209 61.5634 63.2108 175.1652 10 C 4.2990 7.9556 119.5172 58.5298 30.8902 175.1458 11 G 3.8820 8.1623 108.0838 44.6483 0.0000 173.2219 12 K 3.9575 7.8331 121.8878 55.6803 32.3747 176.0915 13 V 3.6015 8.3880 125.7127 63.8952 31.9418 175.6083 14 V 4.3501 8.3709 123.2752 62.7145 33.2843 177.1265 15 G 3.8183 8.2668 107.4396 47.4904 0.0000 173.2321 16 D 4.9865 7.8950 118.6471 53.2118 39.9859 176.9757 17 K 4.6475 8.0901 115.1154 55.9021 34.9497 178.2915 18 W 4.1433 8.4352 129.8552 60.6646 30.6837 177.5603 19 E 3.9226 8.3716 117.9599 59.4886 28.9638 179.1195 20 S 4.0840 8.1622 114.6181 61.9352 62.6998 175.7963 21 Y 3.9359 7.8204 120.4071 60.8098 38.7203 177.8251 22 L 3.7341 7.7834 119.8354 57.8857 41.6181 179.1494 23 N 4.1729 8.1321 116.1574 56.6581 38.1968 177.2320 24 L 3.8648 7.8300 119.9672 58.4029 41.4504 179.1052 25 L 3.9962 7.6730 119.2436 57.0753 41.3898 178.4720 26 Q 3.9086 7.8048 119.8896 60.0127 29.3959 178.8391 27 E 4.1025 8.1613 118.4988 59.4091 29.8379 178.8297 28 D 4.4150 8.0119 115.7318 54.7237 42.2123 176.1903 29 E 3.8901 7.2875 117.2617 56.4221 27.2638 173.4804 30 L 4.7529 7.4538 118.0146 52.5656 45.5474 176.7844 31 D 4.7349 8.2471 119.8357 52.6076 41.9398 177.5233 32 E 3.8996 8.6516 122.6467 59.4971 29.5137 180.0575 33 G 3.6527 8.1102 105.1994 48.3029 0.0000 175.7717 34 T 3.9167 7.7828 117.2369 65.9086 68.3220 176.6392 35 A 3.9257 7.5910 121.6068 55.6257 18.5314 179.2557 36 L 4.1669 8.0015 116.9047 58.2957 41.7470 179.7051 37 S 4.1345 8.0124 114.8698 62.0779 62.6478 177.1490 38 R 3.9900 8.2057 120.6297 59.0555 29.8716 177.7064 39 L 4.3816 7.7870 116.1960 54.6900 41.6503 177.8301 40 G 3.9341 7.8876 107.3308 45.6421 0.0000 175.1141 41 L 4.3654 7.4964 120.6385 53.4427 40.1671 176.0153 42 K 4.2391 8.1903 121.8445 57.5559 34.0942 178.1558 43 R 4.5116 7.5367 115.8050 54.2462 31.4219 176.7791 44 Y 4.2993 8.1689 118.8648 60.3179 36.8240 178.4080 45 C 4.2906 7.8351 116.2057 61.2214 29.5402 174.7148 46 C 4.1179 7.8290 116.1260 60.2606 28.3970 175.0760 47 R 4.3330 7.6408 120.1215 58.1196 30.4548 178.5201 48 R 4.0507 8.1774 115.9903 58.9699 29.2778 178.3702 49 M 3.8976 7.2427 118.9589 58.6711 32.2974 177.8328 50 I 4.1042 7.5040 118.7126 63.9442 37.5813 177.6171 51 L 3.9284 7.5944 119.7191 58.4132 41.8719 178.5189 52 T 4.2929 7.8750 113.6345 63.9099 69.3284 174.9497 53 H 4.0991 7.3186 120.3985 56.6780 30.1492 175.1319 54 V 4.0614 7.7848 125.5485 60.2309 31.8318 173.8457 55 D 4.3103 7.6676 131.0729 53.5928 40.6281 177.4196 56 L 3.6640 7.5897 121.9122 57.6886 42.0144 178.9434 57 I 3.8555 7.6848 118.2313 64.3327 37.5730 177.2405 58 E 4.0681 7.7489 117.7393 58.4385 29.2750 178.3371 59 K 4.3414 8.0808 118.0008 57.2637 32.9537 178.3072 60 F 4.8363 7.9326 118.0811 59.9992 38.7101 177.4631 61 L 4.2116 8.0236 117.1044 56.9088 41.7534 177.7573 62 R 3.9629 7.4422 117.1610 57.5940 30.1329 175.8746 63 Y 4.2195 7.8771 115.6047 58.1414 36.5211 175.3122 64 N 3.8583 7.9848 121.7856 55.9604 40.2742 172.6424 65 P 4.4779 0.0000 0.0000 62.9292 31.7132 175.9390 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 8.30 4.41 0.00 2.10 2.26 0.00 0.00 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.04 2.73 0.00 2 I 8.11 2.60 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 -0.01 0.81 0.00 0.00 3 V 8.48 2.89 1.94 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 0.77 0.00 0.00 0.27 0.00 0.00 4 P 0.00 4.00 0.00 1.73 1.66 0.00 3.43 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.96 0.00 5 V 8.24 3.57 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 0.78 0.00 0.00 0.90 0.00 0.00 6 R 8.56 4.10 0.00 1.97 1.91 0.00 3.24 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.57 0.00 7 C 8.27 3.99 0.00 2.79 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.61 4.14 0.00 3.11 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 9 S 7.62 3.96 0.00 3.89 3.86 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 10 C 7.96 4.30 0.00 3.05 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 11 G 8.16 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 0.00 0.00 0.00 12 K 7.83 3.96 0.00 1.77 1.68 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.49 1.41 7.81 13 V 8.39 3.60 2.07 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 0.86 0.00 0.00 0.92 0.00 0.00 14 V 8.37 4.35 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 0.94 0.00 0.00 0.92 0.00 0.00 15 G 8.27 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 16 D 7.90 4.99 0.00 2.81 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 17 K 8.09 4.65 0.00 1.99 1.83 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.38 1.38 7.81 18 W 8.44 4.14 0.00 3.43 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 19 E 8.37 3.92 0.00 2.11 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 2.59 2.56 0.00 20 S 8.16 4.08 0.00 4.04 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 21 Y 7.82 3.94 0.00 2.88 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 22 L 7.78 3.73 0.00 1.63 1.55 0.36 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.13 4.17 0.00 2.81 2.81 0.00 0.00 7.08 7.57 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 24 L 7.83 3.86 0.00 1.61 1.59 0.88 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.67 4.00 0.00 1.60 1.42 0.56 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.80 3.91 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.09 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 27 E 8.16 4.10 0.00 1.95 1.92 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 2.29 2.31 0.00 28 D 8.01 4.41 0.00 2.66 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.29 3.89 0.00 2.02 1.89 0.00 0.00 0.00 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 2.35 0.00 30 L 7.45 4.75 0.00 1.71 1.47 0.86 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.25 4.73 0.00 2.85 2.76 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 32 E 8.65 3.90 0.00 2.14 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 0.00 2.48 2.50 0.00 33 G 8.11 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 34 T 7.78 3.92 4.22 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 1.20 0.00 0.00 35 A 7.59 3.93 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 36 L 8.00 4.17 0.00 2.01 1.78 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.01 4.13 0.00 3.94 3.95 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 0.00 0.00 0.00 38 R 8.21 3.99 0.00 1.77 2.10 0.00 3.23 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 39 L 7.79 4.38 0.00 1.87 1.72 1.14 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.89 3.93 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 0.00 0.00 0.00 41 L 7.50 4.37 0.00 1.78 1.65 0.92 0.91 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 42 K 8.19 4.24 0.00 1.86 1.93 0.00 1.55 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.39 7.81 43 R 7.54 4.51 0.00 1.72 1.93 0.00 2.85 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 44 Y 8.17 4.30 0.00 3.18 3.26 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 0.00 45 C 7.84 4.29 0.00 3.20 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 46 C 7.83 4.12 0.00 3.08 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 47 R 7.64 4.33 0.00 1.94 2.02 0.00 3.22 0.00 0.00 3.47 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 48 R 8.18 4.05 0.00 2.16 2.25 0.00 2.92 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.02 0.00 49 M 7.24 3.90 0.00 2.11 2.22 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 2.31 2.36 0.00 50 I 7.50 4.10 1.64 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.22 0.10 0.00 0.00 51 L 7.59 3.93 0.00 1.77 1.81 1.04 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.87 4.29 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 53 H 7.32 4.10 0.00 3.05 3.29 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.78 4.06 2.03 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 0.83 0.00 0.00 1.01 0.00 0.00 55 D 7.67 4.31 0.00 2.41 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.59 3.66 0.00 1.57 0.75 1.02 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.68 3.86 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.52 0.92 0.00 0.00 58 E 7.75 4.07 0.00 2.00 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 2.57 2.56 0.00 59 K 8.08 4.34 0.00 1.53 1.78 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.28 1.27 7.81 60 F 7.93 4.84 0.00 3.27 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 61 L 8.02 4.21 0.00 1.70 1.79 1.01 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.44 3.96 0.00 1.77 1.70 0.00 3.20 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 63 Y 7.88 4.22 0.00 3.20 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 64 N 7.98 3.86 0.00 2.70 2.80 0.00 0.00 7.24 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.48 0.00 2.24 2.04 0.00 3.95 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00