NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7039 8.3044 120.6135 55.5581 33.7958 174.2180 2 V 4.3145 8.5420 124.1461 60.2222 35.2432 168.7391 3 V 4.8520 9.3078 128.3647 61.1424 34.1827 173.7960 4 L 4.6549 8.9036 128.6587 52.9848 43.6696 175.2281 5 K 4.8813 8.7068 125.6472 54.6307 34.1918 175.0451 6 V 4.3663 8.7365 128.0462 61.6364 33.5025 174.2615 7 T 5.2459 8.5976 125.0401 62.0049 69.8897 173.8332 8 L 4.3780 8.1352 125.3092 53.8905 44.4280 174.6613 9 L 3.6333 7.3250 122.4303 54.3177 42.4806 176.3398 10 E 3.8666 8.5050 124.7163 56.7091 29.8009 176.3575 11 G 3.9851 8.9276 107.5623 45.9413 0.0000 175.0876 12 R 3.9556 7.6939 118.5607 55.3629 30.8707 175.3173 13 P 4.4451 0.0000 0.0000 61.9093 33.5094 175.5539 14 P 4.1827 0.0000 0.0000 66.0607 31.2282 178.4084 15 E 3.9113 8.1379 117.2469 59.3177 29.5490 178.6955 16 K 3.9449 7.9566 119.0609 59.3176 32.3294 178.8648 17 K 3.9936 7.9502 119.1712 59.3135 32.0076 179.5765 18 R 3.9807 8.4686 116.9457 59.0962 29.4297 178.5393 19 E 3.9404 8.4162 120.3197 58.7616 29.5074 178.6057 20 L 3.8889 8.0805 120.5628 58.2266 42.3202 179.0360 21 V 3.5331 7.8256 118.1923 65.8959 31.3585 178.0345 22 R 3.8406 7.9563 118.3485 59.5557 30.0485 178.7422 23 R 4.0831 7.9633 117.8710 59.2875 30.0096 179.0948 24 L 3.9930 8.1552 118.9741 57.9987 41.5327 179.8013 25 T 3.6689 7.7517 115.4925 66.6148 68.4199 176.6462 26 E 4.0688 7.9851 121.7580 59.0636 29.3688 179.5096 27 M 4.0232 8.1256 118.4252 58.3162 32.1122 178.6650 28 A 3.9386 8.0674 121.0224 55.0377 18.5435 179.5789 29 S 4.0810 8.3057 112.0359 62.2769 62.3053 175.6548 30 R 3.9566 7.8571 120.1608 58.7530 29.7197 176.9974 31 L 4.0723 8.2999 121.0295 57.6976 42.1039 178.6876 32 L 4.3755 7.9380 114.9020 53.6440 42.3886 176.3159 33 G 3.9513 7.8005 106.8075 46.7355 0.0000 173.5506 34 E 4.7269 7.9306 116.7259 53.2719 32.2584 174.7259 35 P 4.5787 0.0000 0.0000 62.5144 32.1236 176.7633 36 Y 3.9972 9.2546 119.8819 61.4021 37.9514 178.9290 37 E 4.1193 8.2924 115.6414 58.7631 30.0479 177.3036 38 E 4.1888 8.9508 118.7245 56.6915 30.0492 175.4090 39 V 4.4966 7.4391 120.1792 61.7183 32.1349 175.1786 40 R 4.7643 8.7191 127.3871 54.3215 33.1551 175.3480 41 V 4.8817 8.3158 121.5336 61.1548 34.6898 174.5055 42 I 4.5619 8.8016 127.7398 59.4994 40.4880 174.3599 43 L 4.6418 8.6393 127.1660 53.6142 42.7830 176.1310 44 Y 4.6778 9.1324 128.1634 56.5218 38.6328 172.7833 45 E 4.5195 8.4442 124.3387 55.1946 30.7808 175.8295 46 V 4.0257 8.0600 125.3750 61.2845 33.6402 175.6425 47 R 4.4598 8.6552 126.0252 55.8610 31.0404 178.1122 48 R 3.8439 8.8588 120.8798 59.1722 30.2515 178.0999 49 D 4.8639 7.9525 114.7743 52.6471 39.4390 176.5332 50 Q 4.5403 8.3632 115.3344 55.2068 31.0360 174.5683 51 W 4.7262 8.3083 128.8076 55.3556 32.5442 173.9278 52 A 5.4369 8.4115 126.6780 49.2963 21.9609 174.6562 53 A 4.4250 8.0462 121.8855 51.7571 22.1726 176.9483 54 G 3.5816 9.5220 109.4849 46.4887 0.0000 174.5811 55 G 3.8416 8.4288 104.9699 45.1787 0.0000 173.8760 56 V 4.3406 7.5289 119.8359 60.3219 33.5983 175.0511 57 L 4.6205 8.3765 127.3555 54.3891 42.4879 177.7993 58 F 4.0330 9.5912 125.5972 61.5217 39.1197 177.7973 59 S 4.4580 8.5740 113.6784 60.9180 62.5175 175.2418 60 D 4.8595 8.3021 120.4112 54.0261 41.0221 176.3645 61 K 4.3125 7.6190 119.3861 55.4144 30.4140 175.7911 62 E 3.8891 8.8466 124.9202 58.9916 29.8179 177.4918 63 G 4.1193 7.9396 110.2569 45.9445 0.0000 173.1552 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 4.70 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 2 V 8.54 4.31 2.06 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 0.84 0.00 0.00 0.97 0.00 0.00 3 V 9.31 4.85 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 0.87 0.00 0.00 0.92 0.00 0.00 4 L 8.90 4.65 0.00 1.59 1.55 0.88 0.97 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 5 K 8.71 4.88 0.00 1.75 1.71 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.41 1.43 7.81 6 V 8.74 4.37 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 0.95 0.00 0.00 0.94 0.00 0.00 7 T 8.60 5.25 4.42 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 0.00 0.00 0.00 1.45 0.00 0.00 8 L 8.14 4.38 0.00 1.45 1.62 0.83 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 9 L 7.33 3.63 0.00 0.35 0.90 0.04 -0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.50 3.87 0.00 1.82 1.88 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 2.06 2.12 0.00 11 G 8.93 3.99 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 0.00 0.00 0.00 12 R 7.69 3.96 0.00 1.70 1.82 0.00 3.13 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 13 P 0.00 4.45 0.00 2.24 2.15 0.00 3.68 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 2.04 2.03 0.00 14 P 0.00 4.18 0.00 2.16 2.15 0.00 3.59 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 15 E 8.14 3.91 0.00 2.06 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 0.00 2.37 2.43 0.00 16 K 7.96 3.94 0.00 1.88 1.89 0.00 1.64 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.56 7.81 17 K 7.95 3.99 0.00 1.99 1.81 0.00 1.81 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.50 7.81 18 R 8.47 3.98 0.00 2.00 2.18 0.00 2.92 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.63 0.00 19 E 8.42 3.94 0.00 2.16 2.11 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 2.30 2.31 0.00 20 L 8.08 3.89 0.00 1.87 1.78 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.83 3.53 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 0.92 0.00 0.00 0.93 0.00 0.00 22 R 7.96 3.84 0.00 2.03 2.12 0.00 3.18 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.72 0.00 23 R 7.96 4.08 0.00 1.87 1.96 0.00 3.52 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.82 0.00 24 L 8.16 3.99 0.00 1.63 1.68 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 25 T 7.75 3.67 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 0.57 0.00 0.00 26 E 7.99 4.07 0.00 2.16 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 0.00 2.59 2.49 0.00 27 M 8.13 4.02 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.55 0.00 28 A 8.07 3.94 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 29 S 8.31 4.08 0.00 3.71 4.04 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 30 R 7.86 3.96 0.00 1.96 2.11 0.00 3.37 0.00 0.00 3.24 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 31 L 8.30 4.07 0.00 1.66 1.75 0.92 1.32 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 32 L 7.94 4.38 0.00 1.79 1.70 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.80 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 0.00 0.00 0.00 34 E 7.93 4.73 0.00 1.94 1.86 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 2.22 2.20 0.00 35 P 0.00 4.58 0.00 2.48 2.21 0.00 3.76 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 36 Y 9.25 4.00 0.00 3.02 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 37 E 8.29 4.12 0.00 2.10 2.14 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 2.31 2.30 0.00 38 E 8.95 4.19 0.00 2.14 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 2.31 2.39 0.00 39 V 7.44 4.50 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 0.64 0.00 0.00 0.84 0.00 0.00 40 R 8.72 4.76 0.00 1.74 1.77 0.00 3.27 0.00 0.00 3.09 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 41 V 8.32 4.88 2.06 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 0.85 0.00 0.00 0.89 0.00 0.00 42 I 8.80 4.56 1.88 0.00 0.00 0.85 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 0.56 0.93 0.00 0.00 43 L 8.64 4.64 0.00 1.52 1.62 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 9.13 4.68 0.00 2.95 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 45 E 8.44 4.52 0.00 1.80 1.71 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 2.18 2.25 0.00 46 V 8.06 4.03 1.90 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 0.89 0.00 0.00 0.49 0.00 0.00 47 R 8.66 4.46 0.00 1.97 2.05 0.00 3.18 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.59 0.00 48 R 8.86 3.84 0.00 1.95 2.23 0.00 3.11 0.00 0.00 3.42 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.33 0.00 49 D 7.95 4.86 0.00 2.83 2.80 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 50 Q 8.36 4.54 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.65 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 51 W 8.31 4.73 0.00 3.34 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 52 A 8.41 5.44 1.18 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 0.00 0.00 53 A 8.05 4.42 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 54 G 9.52 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.43 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 56 V 7.53 4.34 2.20 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 0.98 0.00 0.00 0.92 0.00 0.00 57 L 8.38 4.62 0.00 1.96 1.67 0.96 1.08 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 58 F 9.59 4.03 0.00 3.36 3.32 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 59 S 8.57 4.46 0.00 4.17 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 0.00 60 D 8.30 4.86 0.00 2.86 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 61 K 7.62 4.31 0.00 1.44 1.42 0.00 1.43 0.00 0.00 1.46 0.00 0.00 2.72 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.60 0.32 7.81 62 E 8.85 3.89 0.00 1.91 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 2.28 2.25 0.00 63 G 7.94 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 0.00 0.00 0.00