NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9172 8.3544 109.7364 45.6128 0.0000 173.0179 2 S 4.3030 7.9635 115.6957 56.1742 64.8270 173.2475 3 S 4.5287 7.9428 119.4897 57.7745 65.6708 174.9671 4 G 4.1973 8.0916 110.2515 46.0274 0.0000 172.3908 5 S 4.6276 7.9164 115.8585 57.4450 67.0257 173.7742 6 S 4.4969 8.0499 112.2821 57.9331 64.7963 175.5780 7 G 4.1316 8.3946 112.6735 45.4739 0.0000 172.5436 8 M 4.7634 8.4319 120.5466 53.7333 36.0504 173.9444 9 A 4.7882 8.2053 123.5077 51.2604 22.8795 175.6373 10 S 4.2947 8.3555 112.1075 59.5912 65.3443 176.3581 11 G 4.0204 8.1701 107.1466 44.7243 0.0000 172.1802 12 Q 4.6278 8.1868 116.0429 53.8673 32.2547 175.0727 13 F 4.7692 8.7353 123.3106 57.1331 40.7531 175.1119 14 V 3.9275 7.1062 119.5044 59.2355 33.4496 175.7053 15 N 4.5818 8.1167 122.2006 50.7026 36.7794 173.7812 16 K 4.5625 7.7964 122.7801 55.0349 36.0471 175.8479 17 L 4.2397 8.3499 121.7903 54.0742 42.3794 176.2342 18 Q 4.4198 8.5697 126.5012 54.7664 28.2146 175.0951 19 E 4.5345 8.4305 123.9268 56.2077 30.5039 176.0831 20 E 4.4407 8.0169 119.5274 55.6386 30.8484 176.1311 21 V 3.6612 8.2047 123.5236 63.5372 32.5834 174.6650 22 I 4.8494 8.1189 125.8179 59.3230 40.8608 174.6317 23 C 4.4563 8.4822 125.8154 58.3990 32.1502 172.4402 24 P 4.5307 0.0000 0.0000 64.0143 31.1444 176.3571 25 I 4.2898 7.8527 118.8328 63.1798 38.4885 176.3593 26 C 4.3900 7.9967 111.9490 57.4773 30.8243 173.0498 27 L 3.7827 8.2795 119.3440 56.2642 38.7899 173.9066 28 D 4.9869 7.5254 116.4315 52.1571 45.1919 175.4590 29 I 3.6467 8.5101 123.2068 60.4502 37.3226 175.4859 30 L 4.0414 8.6634 128.5177 55.2787 40.4241 177.2922 31 Q 4.1349 8.6899 126.0208 58.1179 28.5872 176.1451 32 K 4.7019 7.5926 117.0590 53.3177 33.2726 171.8796 33 P 4.6835 0.0000 0.0000 62.6600 32.2382 176.5173 34 V 4.1706 8.7128 126.0455 61.4318 33.0698 175.0673 35 T 5.1747 8.7429 126.3718 61.6698 68.2510 175.0268 36 I 4.1050 8.1109 121.1878 59.9165 39.0354 176.6767 37 D 4.3729 8.8113 119.7390 57.7953 40.5695 178.3746 38 C 4.1205 7.9737 112.4127 60.3271 29.9505 173.6487 39 G 4.1962 8.6887 111.4409 46.5372 0.0000 173.9409 40 H 3.9448 7.7114 117.0116 55.1414 29.4914 173.1827 41 N 5.2518 8.0791 118.7919 51.6145 40.6955 173.9810 42 F 5.2838 8.5591 120.9948 55.7567 44.0342 173.3226 43 C 4.8898 8.6110 114.4497 56.9510 31.3251 174.2630 44 L 3.8857 8.1181 121.4954 58.6700 41.5810 179.4120 45 K 3.7721 8.2159 118.4861 59.8426 31.8589 177.0023 46 C 4.2840 8.6181 117.0377 61.1646 28.2946 175.5983 47 I 3.2388 7.5494 121.8673 65.0487 37.2003 178.1622 48 T 3.8901 8.1013 116.3092 66.6026 68.1609 176.5510 49 Q 3.9311 7.2242 118.2878 59.4557 28.9226 179.1418 50 I 3.9808 7.8433 119.4144 63.4727 37.8860 176.9425 51 G 3.7054 7.5528 109.3811 44.8869 0.0000 172.4857 52 E 4.3275 8.0008 123.2119 58.1149 31.2608 177.8895 53 T 4.1343 7.6865 115.1284 65.7796 69.3052 175.9941 54 S 4.2840 7.8796 114.0232 58.8161 63.4068 174.2581 55 C 4.2025 8.5830 118.5070 61.9980 28.3420 173.8535 56 G 3.9327 7.1741 107.6159 45.9190 0.0000 173.8601 57 F 4.9373 7.4041 119.0128 57.1844 39.7632 175.6890 58 F 4.8648 8.2112 115.8940 55.1928 40.6819 173.9384 59 K 3.8387 8.9962 125.9691 56.5163 32.4605 175.6191 60 C 3.6371 8.4327 127.1984 58.7210 32.3564 171.9814 61 P 4.4274 0.0000 0.0000 66.0981 31.4026 177.5865 62 L 4.2043 8.4208 118.2238 56.6808 41.6646 177.0117 63 C 4.9541 7.9071 110.9813 56.2502 32.0427 174.9448 64 K 4.3072 8.4743 123.3991 55.3880 30.0860 174.7336 65 T 4.4887 7.5165 116.2886 61.1251 70.9437 174.3963 66 S 4.2922 8.6465 122.8291 59.2515 61.9647 173.1660 67 V 4.4996 8.0336 117.4091 59.0658 34.6938 174.8742 68 R 4.7460 8.1869 120.3247 54.3384 31.6951 174.8342 69 K 4.0381 9.1395 122.9863 56.5943 32.1696 175.7513 70 N 4.8709 8.4694 121.5809 52.4720 41.8271 172.9711 71 A 4.3335 8.4726 126.1641 51.0517 21.8283 174.5530 72 I 3.5964 8.5754 120.9431 61.5334 36.8106 176.4526 73 R 4.0661 8.5211 124.2729 56.4900 29.7868 175.8613 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 G 8.35 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 0.00 0.00 0.00 0.00 2 S 7.96 4.30 0.00 3.86 3.68 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 3 S 7.94 4.53 0.00 3.95 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 4 G 8.09 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.92 4.63 0.00 3.82 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.05 4.50 0.00 3.76 3.67 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 7 G 8.39 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 0.00 0.00 0.00 8 M 8.43 4.76 0.00 1.96 1.92 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 2.50 2.53 0.00 9 A 8.21 4.79 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.36 4.29 0.00 3.82 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 11 G 8.17 4.02 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 0.00 0.00 0.00 12 Q 8.19 4.63 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 13 F 8.74 4.77 0.00 2.93 2.97 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 0.00 0.00 0.00 14 V 7.11 3.93 1.83 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 0.64 0.00 0.00 0.68 0.00 0.00 15 N 8.12 4.58 0.00 2.82 2.87 0.00 0.00 5.91 7.13 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 16 K 7.80 4.56 0.00 1.78 1.69 0.00 1.52 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.19 1.35 7.81 17 L 8.35 4.24 0.00 1.62 1.62 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 8.57 4.42 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.41 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 19 E 8.43 4.53 0.00 2.07 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 0.00 2.21 2.31 0.00 20 E 8.02 4.44 0.00 1.98 1.93 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 2.24 2.28 0.00 21 V 8.20 3.66 2.08 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 1.11 0.00 0.00 0.92 0.00 0.00 22 I 8.12 4.85 1.88 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 1.24 0.94 0.94 0.00 0.00 23 C 8.48 4.46 0.00 3.06 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 24 P 0.00 4.53 0.00 2.30 2.16 0.00 3.89 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.92 0.00 25 I 7.85 4.29 1.94 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.90 0.89 0.00 0.00 26 C 8.00 4.39 0.00 3.22 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.28 3.78 0.00 1.80 1.85 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 28 D 7.53 4.99 0.00 2.56 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.51 3.65 1.88 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 1.36 0.47 0.94 0.00 0.00 30 L 8.66 4.04 0.00 1.65 1.68 1.02 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.69 4.13 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 7.21 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 32 K 7.59 4.70 0.00 1.76 1.69 0.00 1.62 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.47 7.81 33 P 0.00 4.68 0.00 2.23 2.08 0.00 3.74 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 34 V 8.71 4.17 2.22 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 1.15 0.00 0.00 1.06 0.00 0.00 35 T 8.74 5.17 4.24 0.00 0.00 0.00 0.00 0.00 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 36 I 8.11 4.10 1.89 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.71 1.11 0.00 0.00 37 D 8.81 4.37 0.00 2.65 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 38 C 7.97 4.12 0.00 3.04 3.05 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 0.00 0.00 0.00 39 G 8.69 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.71 3.94 0.00 3.07 2.64 0.00 5.60 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.08 5.25 0.00 2.44 2.63 0.00 0.00 6.67 7.41 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 42 F 8.56 5.28 0.00 3.04 2.89 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 0.00 0.00 0.00 43 C 8.61 4.89 0.00 3.03 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.12 3.89 0.00 1.78 1.75 0.93 0.64 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 45 K 8.22 3.77 0.00 1.90 1.82 0.00 1.62 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.51 1.60 7.81 46 C 8.62 4.28 0.00 3.16 2.79 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 47 I 7.55 3.24 1.85 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.69 0.81 0.00 0.00 48 T 8.10 3.89 4.27 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 1.16 0.00 0.00 49 Q 7.22 3.93 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 50 I 7.84 3.98 1.57 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.41 0.69 0.00 0.00 51 G 7.55 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 52 E 8.00 4.33 0.00 1.92 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 2.20 2.47 0.00 53 T 7.69 4.13 4.23 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 1.20 0.00 0.00 54 S 7.88 4.28 0.00 3.99 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 0.00 55 C 8.58 4.20 0.00 2.77 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 56 G 7.17 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 57 F 7.40 4.94 0.00 3.02 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 58 F 8.21 4.86 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 59 K 9.00 3.84 0.00 1.79 1.79 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.67 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.52 7.81 60 C 8.43 3.64 0.00 2.99 3.05 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 0.00 0.00 0.00 61 P 0.00 4.43 0.00 2.23 2.14 0.00 3.83 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.63 0.00 62 L 8.42 4.20 0.00 1.79 1.78 1.23 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 63 C 7.91 4.95 0.00 3.07 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 64 K 8.47 4.31 0.00 1.78 1.82 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.41 7.81 65 T 7.52 4.49 4.21 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 0.00 0.00 1.17 0.00 0.00 66 S 8.65 4.29 0.00 3.70 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 67 V 8.03 4.50 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 0.82 0.00 0.00 0.63 0.00 0.00 68 R 8.19 4.75 0.00 0.67 1.30 0.00 2.80 0.00 0.00 3.04 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.39 0.00 69 K 9.14 4.04 0.00 1.99 1.98 0.00 1.89 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 3.38 0.00 0.00 0.00 0.00 1.71 1.72 7.81 70 N 8.47 4.87 0.00 2.85 2.66 0.00 0.00 7.00 7.97 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 71 A 8.47 4.33 1.23 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 0.00 0.00 72 I 8.58 3.60 1.88 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 1.31 0.58 0.92 0.00 0.00 73 R 8.52 4.07 0.00 1.78 1.85 0.00 3.28 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00