NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3413 8.3044 120.3542 57.0896 32.3004 173.9074 2 I 2.6932 8.5899 112.9554 60.7598 35.6671 166.9775 3 V 2.2791 7.8393 123.6427 59.6261 31.9834 173.6438 4 P 4.3899 0.0000 0.0000 62.3136 31.9741 175.8434 5 V 3.9068 8.0970 119.9026 63.2823 32.2563 175.8891 6 R 4.1105 9.0713 119.8717 55.5781 27.5023 175.7459 7 C 3.5180 8.2894 116.6799 58.3116 29.7624 175.2145 8 F 4.3881 7.6966 121.5598 60.3066 38.8134 176.4441 9 S 4.5452 8.0185 113.6464 59.6374 64.0517 173.8960 10 C 4.3909 8.0105 114.0344 56.1547 42.4738 174.2836 11 G 3.7673 8.0073 107.5105 44.9249 0.0000 173.9176 12 K 3.8958 7.9779 121.5031 56.1079 32.5652 176.1293 13 V 3.9209 8.4439 118.9807 62.6408 32.0834 176.2509 14 V 4.3520 8.4370 115.1452 60.6533 33.1448 177.5128 15 G 3.7306 7.8612 110.0597 47.6107 0.0000 175.4380 16 D 4.4734 7.9412 121.1244 55.3219 39.3143 177.6065 17 K 4.5882 7.4194 116.8337 56.3915 32.2548 178.5242 18 W 4.7195 8.2326 129.5052 60.6445 30.7733 176.9230 19 E 3.6898 8.4472 117.8021 59.8828 28.8327 179.2842 20 S 4.0438 8.1846 113.9406 62.1605 62.4631 175.9122 21 Y 4.1910 7.3952 121.3480 60.9864 38.5628 178.1084 22 L 3.4900 7.4112 119.2963 57.9012 41.7395 179.3747 23 N 4.1849 7.8586 115.2136 56.4678 38.4365 177.3010 24 L 3.9505 7.7854 118.4621 56.9297 41.7797 179.1568 25 L 4.1318 7.2498 118.2740 56.7059 41.9770 177.8873 26 Q 4.4272 7.4712 114.9600 56.7055 29.8810 174.9620 27 E 4.4107 8.3784 117.9715 57.7495 31.2874 175.0471 28 D 4.5198 7.9500 119.4560 54.8612 40.9149 176.9024 29 E 3.7501 7.4000 114.8785 58.6165 27.2709 174.0682 30 L 4.6845 7.4687 118.5122 52.6637 45.0326 176.5303 31 D 4.6882 8.1750 119.2222 52.4673 40.7121 177.2437 32 E 4.1166 9.0223 121.4160 60.5734 28.8491 178.9432 33 G 3.7831 8.5726 103.9146 48.7962 0.0000 174.5383 34 T 4.0546 8.2472 112.3587 63.0614 68.4403 176.5829 35 A 4.0597 8.0081 124.6536 55.1870 18.3476 179.5419 36 L 4.3425 8.4535 117.8055 57.8539 41.5381 179.7704 37 S 4.2103 7.8841 114.3655 61.1552 62.5849 176.5341 38 R 3.9102 7.7345 120.9785 58.9278 29.9461 177.0219 39 L 4.2357 7.3831 116.1278 54.9122 41.7832 177.2890 40 G 3.8654 7.8545 107.1403 46.0846 0.0000 174.8667 41 L 4.4379 7.2151 122.0081 53.0220 40.3314 176.5695 42 K 4.1758 8.2387 121.8685 59.1075 33.8089 179.6005 43 R 4.0672 7.7228 117.0376 55.8328 31.5770 176.4161 44 Y 4.4853 7.4836 118.9467 58.4206 38.7764 177.7898 45 C 4.1545 7.3557 116.6068 61.8468 29.5435 176.4775 46 C 4.3439 7.9181 117.0051 58.7299 39.0363 175.7459 47 R 3.9991 8.0394 120.6862 58.8692 29.7926 178.4370 48 R 4.2288 8.2525 114.7650 57.7464 29.4599 178.1224 49 M 3.9502 7.7685 119.4585 57.7932 31.8919 177.3595 50 I 3.8749 7.2922 118.0526 63.0141 38.5531 177.0343 51 L 4.0670 7.1662 118.8453 58.4489 41.9039 179.0484 52 T 4.0509 7.4497 113.7996 66.0301 68.9741 174.4241 53 H 3.7291 6.7367 117.6239 56.0968 30.2757 174.0121 54 V 4.0753 7.9427 125.9058 61.0117 32.6779 175.5830 55 D 4.5568 8.0232 128.8800 53.6924 38.8201 176.1684 56 L 3.7497 8.2381 123.6115 56.6837 42.9269 179.4618 57 I 4.1014 7.8827 118.3537 64.3543 37.7635 176.7611 58 E 3.9694 7.4168 117.7845 59.6796 29.5706 179.5795 59 K 3.9415 9.0265 118.4566 59.4611 32.1445 179.3331 60 F 4.9693 7.3041 117.3890 60.9834 38.5571 177.7494 61 L 4.2259 7.9513 117.9417 57.5888 41.4301 178.8901 62 R 3.8981 8.1470 118.4591 58.4811 30.2871 176.8149 63 Y 4.2552 6.8056 114.7647 57.6525 38.0923 175.1176 64 N 4.4049 8.7251 124.2140 55.1258 39.7301 172.8457 65 P 4.5100 0.0000 0.0000 62.7888 31.7162 175.3495 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 4.34 0.00 2.07 2.30 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.66 0.00 2 I 8.59 2.69 1.89 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 1.29 0.66 0.91 0.00 0.00 3 V 7.84 2.28 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 0.70 0.00 0.00 -0.15 0.00 0.00 4 P 0.00 4.39 0.00 2.09 2.00 0.00 3.38 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.06 0.00 5 V 8.10 3.91 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.93 0.00 0.00 6 R 9.07 4.11 0.00 1.93 1.98 0.00 3.34 0.00 0.00 3.94 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 7 C 8.29 3.52 0.00 2.84 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 8 F 7.70 4.39 0.00 3.06 3.03 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 0.00 0.00 0.00 9 S 8.02 4.55 0.00 3.96 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 10 C 8.01 4.39 0.00 3.03 3.16 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 11 G 8.01 3.77 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 0.00 0.00 0.00 12 K 7.98 3.90 0.00 1.76 1.67 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.45 7.81 13 V 8.44 3.92 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 0.76 0.00 0.00 0.93 0.00 0.00 14 V 8.44 4.35 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 0.85 0.00 0.00 0.90 0.00 0.00 15 G 7.86 3.73 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 0.00 0.00 0.00 16 D 7.94 4.47 0.00 2.80 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 17 K 7.42 4.59 0.00 1.92 1.92 0.00 1.82 0.00 0.00 1.64 0.00 0.00 3.18 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.39 7.81 18 W 8.23 4.72 0.00 3.31 3.08 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 0.00 0.00 0.00 19 E 8.45 3.69 0.00 2.05 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 2.54 2.44 0.00 20 S 8.18 4.04 0.00 3.90 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 21 Y 7.40 4.19 0.00 2.99 3.07 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 0.00 0.00 0.00 0.00 22 L 7.41 3.49 0.00 1.64 1.46 -0.31 0.55 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 23 N 7.86 4.18 0.00 2.77 2.79 0.00 0.00 7.01 6.74 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 24 L 7.79 3.95 0.00 1.73 1.68 0.92 1.30 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 25 L 7.25 4.13 0.00 1.59 1.46 -0.16 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.47 4.43 0.00 1.94 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.79 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 27 E 8.38 4.41 0.00 2.11 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 28 D 7.95 4.52 0.00 2.79 2.71 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 29 E 7.40 3.75 0.00 2.05 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 0.00 2.23 2.46 0.00 30 L 7.47 4.68 0.00 1.77 1.54 0.90 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.17 4.69 0.00 2.82 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 32 E 9.02 4.12 0.00 2.17 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 33 G 8.57 3.78 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 0.00 0.00 0.00 34 T 8.25 4.05 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 1.22 0.00 0.00 35 A 8.01 4.06 1.39 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 0.00 0.00 36 L 8.45 4.34 0.00 1.87 1.76 1.01 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.88 4.21 0.00 3.92 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 38 R 7.73 3.91 0.00 1.75 1.98 0.00 3.25 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 39 L 7.38 4.24 0.00 2.05 1.73 1.06 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.85 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.22 4.44 0.00 1.82 1.64 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.24 4.18 0.00 1.87 1.94 0.00 1.57 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.41 7.81 43 R 7.72 4.07 0.00 1.82 1.97 0.00 2.87 0.00 0.00 3.28 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 44 Y 7.48 4.49 0.00 3.23 3.30 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 45 C 7.36 4.15 0.00 3.12 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 46 C 7.92 4.34 0.00 2.89 3.12 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 47 R 8.04 4.00 0.00 2.02 2.03 0.00 3.39 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.90 0.00 48 R 8.25 4.23 0.00 2.07 2.30 0.00 2.82 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.96 0.00 49 M 7.77 3.95 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 50 I 7.29 3.87 1.67 0.00 0.00 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 1.45 0.95 0.22 0.00 0.00 51 L 7.17 4.07 0.00 1.66 1.83 1.00 1.04 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 52 T 7.45 4.05 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 1.24 0.00 0.00 53 H 6.74 3.73 0.00 2.97 3.16 0.00 5.70 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.94 4.08 2.04 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 0.82 0.00 0.00 0.97 0.00 0.00 55 D 8.02 4.56 0.00 2.67 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 56 L 8.24 3.75 0.00 1.63 1.23 1.04 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.88 4.10 1.99 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.34 0.96 0.00 0.00 58 E 7.42 3.97 0.00 2.03 2.01 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 2.61 2.59 0.00 59 K 9.03 3.94 0.00 1.60 1.57 0.00 1.51 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.34 7.81 60 F 7.30 4.97 0.00 3.20 3.16 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 61 L 7.95 4.23 0.00 1.86 1.76 0.97 0.72 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 62 R 8.15 3.90 0.00 1.63 1.48 0.00 3.24 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 63 Y 6.81 4.26 0.00 3.26 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 64 N 8.73 4.40 0.00 2.72 2.84 0.00 0.00 7.04 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 4.51 0.00 2.23 2.03 0.00 3.92 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00