NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5669 8.1633 120.6110 55.2878 34.8335 175.2112 2 I 4.7250 7.5102 116.0440 58.1621 41.2621 169.5137 3 V 3.2675 8.5865 123.7494 62.6691 32.6200 174.0570 4 P 4.3755 0.0000 0.0000 62.2814 32.2481 176.7400 5 V 3.7455 8.4390 121.7612 65.6302 32.3415 175.8554 6 R 5.1324 7.5484 116.3783 53.6466 33.5483 175.1895 7 C 3.5199 8.4895 121.0354 60.2406 31.7893 174.8815 8 F 4.4074 8.5551 124.6823 60.5573 38.7994 176.4246 9 S 4.5844 8.1091 114.6001 59.4037 63.6138 174.5452 10 C 4.4256 8.1159 112.5134 57.3560 30.5680 174.6860 11 G 4.0002 7.9097 108.9495 45.2929 0.0000 174.1059 12 K 3.8228 7.7892 120.7937 56.4120 32.6049 175.9621 13 V 4.0116 8.1725 125.4803 63.2285 32.3258 175.7206 14 V 4.4059 8.5466 122.8256 62.1786 33.2928 177.0469 15 G 3.6893 8.1316 107.2115 48.0770 0.0000 173.9085 16 D 4.7345 8.0152 117.6519 53.5312 40.1346 177.3399 17 K 4.5409 7.9437 118.4081 56.4221 32.6561 177.5620 18 W 4.5983 8.1653 130.4642 60.2636 30.8034 177.7383 19 E 3.8541 8.3211 118.2453 59.6372 29.1001 179.3946 20 S 4.3655 7.6055 112.2520 60.9327 62.5274 175.8358 21 Y 4.1403 7.5349 121.7207 59.6843 39.2575 176.8436 22 L 3.5487 7.2149 120.6254 57.9320 42.3022 177.9992 23 N 4.1447 8.4255 116.7375 56.7715 38.5905 177.2666 24 L 4.0054 7.7333 119.6253 57.2159 41.2105 179.1500 25 L 4.0687 7.4656 118.3292 56.1002 41.5577 178.1066 26 Q 4.3642 7.6466 117.4623 57.5240 30.2768 176.3281 27 E 4.1049 7.9748 118.5550 58.6164 29.6974 177.2534 28 D 4.7611 7.6981 113.9973 53.5701 42.1257 175.7899 29 E 3.9276 7.7875 117.6978 56.9241 27.2262 174.5877 30 L 4.2412 7.1385 118.0087 54.0750 42.4806 177.3467 31 D 4.4798 8.5076 122.5094 53.2328 41.2458 177.1945 32 E 4.0399 8.9951 122.8421 59.9055 29.6181 179.8236 33 G 3.8212 8.1930 104.2511 47.0773 0.0000 175.9050 34 T 4.0240 7.5750 116.1178 66.1474 68.9554 176.2432 35 A 4.2036 8.3649 123.2408 55.6005 18.2780 179.8162 36 L 4.1422 8.0818 117.0776 57.8141 41.5266 179.1340 37 S 4.6055 7.8081 112.2784 59.6476 62.5467 175.4871 38 R 4.2698 7.8541 122.6200 58.4237 29.9426 177.1747 39 L 4.4827 7.4196 115.8052 54.6696 41.7076 177.9658 40 G 3.8548 7.7385 106.7244 45.3653 0.0000 174.3651 41 L 4.4212 7.5982 119.8828 53.2437 40.7647 175.5672 42 K 4.4764 8.2885 122.8312 56.9392 34.8640 177.5812 43 R 4.1910 7.6632 115.9850 55.3730 30.5493 176.9912 44 Y 4.2281 8.2236 118.8516 60.4614 37.6736 177.7414 45 C 4.1191 7.8647 115.4755 61.6775 29.8924 174.9346 46 C 4.0396 8.0564 119.2651 62.1282 27.7792 176.3151 47 R 3.8996 8.3876 120.0048 59.4548 29.8257 179.2962 48 R 4.1771 8.0470 115.3487 59.2066 29.1377 178.5233 49 M 3.9941 7.6533 118.6392 58.2551 32.4442 177.8400 50 I 3.9523 7.4339 119.2965 63.9414 37.5597 177.8552 51 L 4.2399 8.3148 119.7352 57.0741 41.9077 177.2859 52 T 4.6151 7.3619 105.7232 61.1886 69.5042 173.5553 53 H 3.9813 8.2866 122.4903 56.3159 30.2762 174.6920 54 V 4.3040 7.6759 125.4439 61.1533 33.1318 176.1927 55 D 4.8042 8.4611 129.4687 53.4174 38.2920 176.1717 56 L 3.8691 7.5817 123.0751 56.7032 42.0776 178.3503 57 I 3.5004 7.8166 119.3554 63.8370 37.5883 177.3648 58 E 3.9256 7.6704 118.3869 59.0208 29.6608 178.6565 59 K 4.3267 8.2720 117.4258 57.5638 32.8742 178.8950 60 F 4.7765 8.0878 118.9977 60.4842 38.6337 177.2750 61 L 4.3479 7.9989 116.2399 56.5843 41.5417 178.4317 62 R 4.1843 7.5797 116.7048 56.2068 30.2227 175.6241 63 Y 4.5163 7.2188 117.0617 56.4415 39.9452 175.2850 64 N 4.6146 8.5988 118.3921 53.9097 39.3297 173.9615 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 4.57 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.05 2.86 0.00 2 I 7.51 4.73 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.29 0.84 0.00 0.00 3 V 8.59 3.27 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 0.60 0.00 0.00 0.64 0.00 0.00 4 P 0.00 4.38 0.00 1.73 1.64 0.00 3.57 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.99 0.00 5 V 8.44 3.75 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 0.94 0.00 0.00 0.91 0.00 0.00 6 R 7.55 5.13 0.00 1.58 1.70 0.00 3.72 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 7 C 8.49 3.52 0.00 2.93 2.82 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 8 F 8.56 4.41 0.00 3.13 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 9 S 8.11 4.58 0.00 3.86 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 10 C 8.12 4.43 0.00 3.02 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 11 G 7.91 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 0.00 0.00 0.00 12 K 7.79 3.82 0.00 1.76 1.66 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.42 7.81 13 V 8.17 4.01 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 0.83 0.00 0.00 0.91 0.00 0.00 14 V 8.55 4.41 1.99 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 0.85 0.00 0.00 0.86 0.00 0.00 15 G 8.13 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.02 4.73 0.00 2.81 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 17 K 7.94 4.54 0.00 1.89 1.89 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.39 1.56 7.81 18 W 8.17 4.60 0.00 3.28 3.09 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 0.00 0.00 0.00 0.00 19 E 8.32 3.85 0.00 2.10 1.99 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 2.42 2.51 0.00 20 S 7.61 4.37 0.00 3.97 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 21 Y 7.53 4.14 0.00 2.94 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 22 L 7.21 3.55 0.00 1.36 1.39 0.20 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.43 4.14 0.00 2.70 2.82 0.00 0.00 7.08 6.62 0.00 0.00 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 7.73 4.01 0.00 1.74 1.63 0.94 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.47 4.07 0.00 1.58 1.50 0.47 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.65 4.36 0.00 1.89 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.09 0.00 0.00 0.00 0.00 0.00 2.18 2.29 0.00 27 E 7.97 4.10 0.00 2.15 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 2.30 2.22 0.00 28 D 7.70 4.76 0.00 2.56 2.60 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 29 E 7.79 3.93 0.00 2.25 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 0.00 2.17 2.23 0.00 30 L 7.14 4.24 0.00 1.71 1.56 0.90 0.97 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 31 D 8.51 4.48 0.00 2.87 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 32 E 9.00 4.04 0.00 2.17 2.33 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 0.00 2.50 2.47 0.00 33 G 8.19 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 34 T 7.57 4.02 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 35 A 8.36 4.20 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 4.14 0.00 1.78 1.72 0.94 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.81 4.61 0.00 3.90 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 38 R 7.85 4.27 0.00 2.19 1.97 0.00 3.14 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 39 L 7.42 4.48 0.00 1.65 1.71 1.05 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.74 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.60 4.42 0.00 1.77 1.64 0.84 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.29 4.48 0.00 1.84 1.90 0.00 1.57 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.37 7.81 43 R 7.66 4.19 0.00 1.75 1.96 0.00 2.86 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.52 0.00 44 Y 8.22 4.23 0.00 3.13 3.20 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 45 C 7.86 4.12 0.00 3.15 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 46 C 8.06 4.04 0.00 3.07 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.39 3.90 0.00 2.03 2.02 0.00 3.29 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.94 0.00 48 R 8.05 4.18 0.00 2.15 2.26 0.00 3.00 0.00 0.00 3.18 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 49 M 7.65 3.99 0.00 1.96 2.31 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 50 I 7.43 3.95 1.59 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.31 -0.20 0.00 0.00 51 L 8.31 4.24 0.00 1.57 1.79 1.05 0.99 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 7.36 4.62 4.28 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 1.29 0.00 0.00 53 H 8.29 3.98 0.00 3.17 3.20 0.00 5.69 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 7.68 4.30 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 0.86 0.00 0.00 0.97 0.00 0.00 55 D 8.46 4.80 0.00 2.99 2.70 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 0.00 0.00 0.00 0.00 56 L 7.58 3.87 0.00 1.49 0.96 0.96 0.63 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 57 I 7.82 3.50 1.96 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 1.56 1.74 0.95 0.00 0.00 58 E 7.67 3.93 0.00 2.20 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 2.50 2.58 0.00 59 K 8.27 4.33 0.00 1.73 1.86 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.39 7.81 60 F 8.09 4.78 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 61 L 8.00 4.35 0.00 1.66 1.77 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.58 4.18 0.00 1.57 1.85 0.00 3.11 0.00 0.00 3.17 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 63 Y 7.22 4.52 0.00 2.91 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 N 8.60 4.61 0.00 2.65 2.67 0.00 0.00 6.83 7.56 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