NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3444 8.2493 123.5817 51.2780 20.0416 178.9820 2 K 4.3557 8.2643 117.4609 58.5622 35.1713 171.1564 3 T 5.1235 8.6745 117.4992 61.8949 71.4183 174.9126 4 I 4.5867 8.3803 124.5476 59.1340 41.5749 173.9533 5 K 4.9165 8.7443 128.3208 54.7954 33.4383 175.5880 6 I 4.8049 8.1902 118.8219 59.5597 40.7435 174.7460 7 T 4.3823 8.1512 118.2847 62.5747 72.7488 172.6298 8 Q 4.7173 9.3011 123.1602 54.0427 29.7069 176.2158 9 T 3.5857 7.5141 108.5866 62.1437 68.5116 171.1106 10 R 4.2958 7.3664 127.0939 56.2723 32.5515 173.9392 11 S 4.5524 8.5566 110.1594 57.3414 65.1406 173.4623 12 A 4.6558 8.3168 124.2802 51.8458 20.0905 176.9826 13 I 3.7643 7.6495 117.8920 62.5311 37.4596 176.7602 14 G 3.9082 8.9853 112.5377 45.5332 0.0000 173.2773 15 R 4.4794 7.2344 118.3995 54.1979 31.7127 175.9928 16 L 4.2713 7.7324 118.8773 53.8413 41.2332 176.8547 17 P 4.2575 0.0000 0.0000 65.7726 31.3428 178.0350 18 K 4.6966 7.8166 115.7809 57.4775 32.5909 176.9845 19 H 4.7374 8.1899 114.3110 56.8351 31.4548 176.1714 20 K 4.0522 7.7426 117.9503 58.9159 32.1181 178.5480 21 A 4.1948 7.4178 122.5389 55.0567 18.8691 179.3995 22 T 3.7579 7.7064 112.4657 66.6119 68.8107 175.8752 23 L 4.0293 8.1498 122.5346 58.1560 41.9364 178.6579 24 L 4.1456 7.5130 119.1543 58.3941 41.8074 179.0378 25 G 3.7566 7.9914 104.0870 47.4659 0.0000 174.5322 26 L 4.5342 7.7277 118.5979 54.0335 42.3194 177.2459 27 G 4.1895 7.7256 108.2262 45.5092 0.0000 173.2215 28 L 4.7967 7.5882 118.4332 52.9681 43.6630 177.2628 29 R 4.5923 8.1783 114.6060 56.9968 32.3602 174.8312 30 R 4.6732 7.6381 118.4068 54.5315 34.1763 176.1295 31 I 3.9420 8.6563 115.9368 62.9656 37.8897 177.5171 32 G 3.9497 7.7947 107.4661 45.4999 0.0000 173.2062 33 H 4.1694 7.5562 120.2528 56.6922 30.3234 174.2209 34 T 4.9459 7.8255 122.2663 61.7944 71.0584 173.7220 35 V 4.6401 8.2467 123.4739 60.2423 35.5424 173.8503 36 E 5.1793 8.5639 119.8040 53.7757 33.1226 175.1772 37 R 4.7719 8.5129 121.0641 54.4570 35.2819 173.2163 38 E 5.0546 8.5074 121.2906 54.2396 31.6764 175.3758 39 D 4.7158 8.6359 127.4635 54.9113 41.2785 176.0343 40 T 4.6876 8.1817 110.7766 58.7036 71.5970 173.0415 41 P 4.0462 0.0000 0.0000 64.9354 31.5653 178.6048 42 A 4.1225 7.9380 120.3710 55.0742 18.2977 179.0320 43 I 3.9040 7.6417 109.5539 62.5441 37.5588 177.3494 44 R 4.4933 7.4087 118.8779 57.1178 30.7110 178.0461 45 G 3.7720 7.9810 106.1872 47.4091 0.0000 175.9250 46 M 4.0622 7.8760 120.5255 58.4353 31.9416 178.4786 47 I 3.7194 7.2980 118.4024 64.8186 36.9991 178.2013 48 N 4.3532 7.6284 116.1779 56.1368 38.5087 177.0780 49 A 4.2103 7.4759 120.1181 54.1228 19.1020 177.8789 50 V 3.9900 7.4186 111.1569 60.6058 32.9978 178.1693 51 S 4.1678 8.1255 116.7559 61.3644 63.1846 175.9155 52 F 4.5494 8.3656 113.3530 58.4347 38.0728 175.1047 53 M 4.6612 7.4823 120.9711 55.1551 33.3681 175.2563 54 V 5.0862 7.5449 111.1857 59.5324 36.7148 174.5025 55 K 4.5197 8.2766 119.6395 55.1055 35.1208 177.1234 56 V 3.8250 8.5207 119.2051 60.7075 32.3674 175.8485 57 E 4.5572 8.6554 123.6103 54.7444 30.6383 175.9119 58 E 4.2664 8.5281 122.4310 56.3911 30.4087 176.1745 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 A 8.25 4.34 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.26 4.36 0.00 1.87 1.86 0.00 1.46 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.70 7.81 3 T 8.67 5.12 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 1.31 0.00 0.00 4 I 8.38 4.59 1.98 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 1.22 1.48 0.97 0.00 0.00 5 K 8.74 4.92 0.00 1.63 1.70 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 1.45 7.81 6 I 8.19 4.80 1.85 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 1.21 0.93 0.96 0.00 0.00 7 T 8.15 4.38 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 1.30 0.00 0.00 8 Q 9.30 4.72 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.11 0.00 9 T 7.51 3.59 4.26 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 1.22 0.00 0.00 10 R 7.37 4.30 0.00 1.80 1.55 0.00 3.38 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.81 0.00 11 S 8.56 4.55 0.00 3.85 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 12 A 8.32 4.66 1.30 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 0.00 0.00 13 I 7.65 3.76 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 1.24 0.59 0.92 0.00 0.00 14 G 8.99 3.91 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 0.00 0.00 0.00 15 R 7.23 4.48 0.00 1.89 1.91 0.00 3.67 0.00 0.00 3.54 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 16 L 7.73 4.27 0.00 1.48 1.54 0.81 0.97 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 17 P 0.00 4.26 0.00 2.18 2.10 0.00 3.58 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 2.11 2.11 0.00 18 K 7.82 4.70 0.00 1.81 1.86 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.47 7.81 19 H 8.19 4.74 0.00 3.35 3.29 0.00 5.82 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.74 4.05 0.00 1.84 2.09 0.00 1.31 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.61 1.55 7.81 21 A 7.42 4.19 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.71 3.76 4.31 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 0.00 0.00 1.15 0.00 0.00 23 L 8.15 4.03 0.00 1.88 1.81 0.86 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.51 4.15 0.00 2.08 1.78 0.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.99 3.76 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 0.00 0.00 0.00 26 L 7.73 4.53 0.00 1.77 1.69 0.86 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.73 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.59 4.80 0.00 1.74 1.57 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.18 4.59 0.00 1.85 1.94 0.00 2.95 0.00 0.00 3.17 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 30 R 7.64 4.67 0.00 1.86 1.82 0.00 3.13 0.00 0.00 3.36 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 31 I 8.66 3.94 1.96 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.83 0.96 0.00 0.00 32 G 7.79 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 33 H 7.56 4.17 0.00 3.11 3.38 0.00 5.70 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.83 4.95 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 1.23 0.00 0.00 35 V 8.25 4.64 2.24 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 0.97 0.00 0.00 1.00 0.00 0.00 36 E 8.56 5.18 0.00 1.80 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 0.00 2.18 2.13 0.00 37 R 8.51 4.77 0.00 1.66 1.74 0.00 3.24 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 38 E 8.51 5.05 0.00 1.92 1.80 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 2.18 2.35 0.00 39 D 8.64 4.72 0.00 2.62 2.58 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 40 T 8.18 4.69 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 1.21 0.00 0.00 41 P 0.00 4.05 0.00 2.04 2.15 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 42 A 7.94 4.12 1.30 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 0.00 0.00 43 I 7.64 3.90 1.86 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 1.65 0.78 0.90 0.00 0.00 44 R 7.41 4.49 0.00 1.92 2.00 0.00 3.31 0.00 0.00 3.38 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.76 0.00 45 G 7.98 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 46 M 7.88 4.06 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.61 0.00 47 I 7.30 3.72 2.08 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 1.48 0.64 0.89 0.00 0.00 48 N 7.63 4.35 0.00 2.77 2.88 0.00 0.00 7.00 7.23 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 49 A 7.48 4.21 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 50 V 7.42 3.99 1.58 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 0.50 0.00 0.00 0.78 0.00 0.00 51 S 8.13 4.17 0.00 4.04 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 52 F 8.37 4.55 0.00 3.11 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 53 M 7.48 4.66 0.00 1.84 1.80 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.47 0.00 54 V 7.54 5.09 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 0.86 0.00 0.00 0.98 0.00 0.00 55 K 8.28 4.52 0.00 1.56 1.67 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.72 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.39 7.81 56 V 8.52 3.83 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 0.70 0.00 0.00 0.93 0.00 0.00 57 E 8.66 4.56 0.00 1.90 1.87 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 2.18 2.22 0.00 58 E 8.53 4.27 0.00 1.90 1.78 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 2.19 2.20 0.00