NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 L 4.3418 8.1693 120.6435 54.9776 43.0086 175.4041 6 T 4.5771 8.0829 110.5435 58.6592 71.5727 170.9456 7 E 4.2002 8.6376 122.2077 58.2599 30.7936 176.6042 8 T 4.7302 7.8759 107.8939 60.2825 70.5802 173.1011 9 M 4.7273 8.8044 127.7725 52.9590 33.9141 174.4179 10 P 5.0256 0.0000 0.0000 62.5864 33.0128 175.3338 11 F 5.1500 8.7262 115.4631 55.4014 41.9011 173.1364 12 R 5.1309 8.7446 119.3908 54.9415 32.7912 174.0336 13 M 5.1102 9.2739 125.2191 54.1847 36.2101 173.5612 14 T 5.1567 8.5582 114.2016 60.2145 72.2014 172.7260 15 M 4.8758 9.3397 123.5644 53.9779 35.9820 173.2814 16 E 4.7742 8.5530 125.6257 54.6474 33.2434 174.2331 17 G 3.8485 7.4332 111.7968 46.1408 0.0000 172.0203 18 T 5.2276 8.3579 115.6814 61.5601 71.7432 174.0120 19 V 4.1725 8.5432 125.3596 61.9865 33.6325 175.0433 20 N 4.1902 9.9514 125.2741 54.3194 36.0647 175.4517 21 G 3.7759 8.4467 104.9968 45.5961 0.0000 173.7607 22 H 4.7220 8.0995 118.2362 54.7213 28.5604 174.1419 23 H 5.3551 8.6355 122.6294 55.7068 30.2343 174.6074 24 F 5.2573 8.7523 115.6524 55.8804 41.8191 173.1214 25 K 5.1617 9.2839 118.6446 55.0332 36.2589 175.2646 26 C 5.6548 9.6627 120.7314 58.2955 32.6014 173.0991 27 T 5.1980 8.8933 110.9338 60.4334 72.2937 172.7618 28 G 5.0203 8.9766 108.1369 45.3818 0.0000 172.1143 29 K 4.9928 8.3348 118.9788 55.8414 36.6555 175.7226 30 G 3.5884 7.6314 106.7287 46.2984 0.0000 171.6209 31 E 5.1259 8.2854 116.3386 55.7200 33.6011 174.2154 32 G 4.2933 8.7701 106.7488 46.0112 0.0000 171.7740 33 N 5.9232 8.7524 119.1472 50.7588 38.9122 173.7604 34 P 4.1083 0.0000 0.0000 65.0276 31.5898 177.8707 35 F 4.5908 7.9721 114.8940 58.5527 39.4884 176.5244 36 E 4.2906 8.5454 117.9044 55.9305 29.8563 176.3874 37 G 3.8976 8.0577 107.0693 46.6547 0.0000 173.3876 38 T 4.9060 7.5649 108.5932 59.7905 71.9055 172.6397 39 Q 5.1603 8.3182 119.0582 55.6337 31.4688 172.9552 40 D 5.2755 9.3565 120.6128 53.1850 45.1465 174.5228 41 M 5.1354 8.5394 116.6678 54.3954 34.5557 173.6635 42 K 4.6686 8.9907 119.8302 54.8335 34.8904 175.4096 43 I 5.0367 8.2577 124.1446 59.4228 40.2317 174.3235 44 E 4.5713 9.2130 127.8327 54.2180 32.4709 174.9258 45 V 4.4715 8.4747 127.3572 62.5727 31.2107 175.1382 46 I 4.3208 8.6788 122.6085 61.8078 38.9476 175.9483 47 E 4.6030 7.9011 121.4680 55.4315 33.7594 176.5586 48 G 4.2373 8.6808 110.1563 46.6083 0.0000 173.7107 49 G 3.9087 7.7065 107.8326 43.4786 0.0000 172.2653 50 P 4.3020 0.0000 0.0000 61.6535 32.0908 176.3405 51 L 3.5585 8.3339 121.7215 55.0140 41.6692 174.9763 52 P 4.6433 0.0000 0.0000 62.3079 31.4248 175.2604 53 F 4.8518 6.7759 111.6762 55.2586 40.7700 173.6739 54 A 4.0644 8.7035 124.5274 52.3012 18.5463 178.6560 55 F 4.0975 8.9617 125.2116 61.1767 39.5266 176.6096 56 D 4.4049 8.4203 118.6334 57.4970 40.3470 178.4185 57 I 3.8620 7.4139 111.8764 62.7198 37.8920 177.1254 58 L 4.3283 7.6078 120.3727 54.9269 41.9318 178.3398 59 S 4.0163 7.3738 115.9821 61.8928 62.8490 176.2887 60 T 4.2130 7.7874 106.2780 62.7650 68.6763 174.7115 61 S 4.6196 7.8669 117.3362 58.7164 64.2385 173.9325 62 C 4.3639 7.7635 123.5909 59.9439 27.9274 173.3223 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 5 L 8.17 4.34 0.00 1.79 1.70 0.79 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.08 4.58 4.30 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 1.26 0.00 0.00 7 E 8.64 4.20 0.00 2.11 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 0.00 2.48 2.59 0.00 8 T 7.88 4.73 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 1.24 0.00 0.00 9 M 8.80 4.73 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.90 0.00 10 P 0.00 5.03 0.00 2.03 2.00 0.00 3.75 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 11 F 8.73 5.15 0.00 3.06 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 12 R 8.74 5.13 0.00 1.82 1.85 0.00 3.21 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 13 M 9.27 5.11 0.00 2.17 1.97 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.69 0.00 14 T 8.56 5.16 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 1.24 0.00 0.00 15 M 9.34 4.88 0.00 2.17 1.98 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.59 0.00 16 E 8.55 4.77 0.00 1.86 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 2.06 2.16 0.00 17 G 7.43 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 18 T 8.36 5.23 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 1.09 0.00 0.00 19 V 8.54 4.17 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 0.42 0.00 0.00 0.71 0.00 0.00 20 N 9.95 4.19 0.00 2.87 2.88 0.00 0.00 7.28 7.65 0.00 0.00 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 G 8.45 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 22 H 8.10 4.72 0.00 3.56 3.46 0.00 5.61 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.64 5.36 0.00 3.22 3.24 0.00 5.82 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 8.75 5.26 0.00 3.34 3.21 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 0.00 25 K 9.28 5.16 0.00 1.72 1.72 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.29 1.37 7.81 26 C 9.66 5.65 0.00 3.00 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 27 T 8.89 5.20 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 1.24 0.00 0.00 28 G 8.98 5.02 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 29 K 8.33 4.99 0.00 1.68 1.79 0.00 1.50 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.37 7.81 30 G 7.63 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.29 5.13 0.00 2.00 1.89 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 2.11 2.25 0.00 32 G 8.77 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.75 5.92 0.00 2.83 2.78 0.00 0.00 7.13 7.73 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 34 P 0.00 4.11 0.00 1.10 1.70 0.00 3.80 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 35 F 7.97 4.59 0.00 3.10 3.10 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 0.00 0.00 0.00 0.00 36 E 8.55 4.29 0.00 2.01 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 2.32 2.37 0.00 37 G 8.06 3.90 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 0.00 0.00 0.00 38 T 7.56 4.91 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 1.29 0.00 0.00 39 Q 8.32 5.16 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.46 0.00 40 D 9.36 5.28 0.00 2.64 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.54 5.14 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.74 0.00 42 K 8.99 4.67 0.00 1.66 1.70 0.00 1.56 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.35 7.81 43 I 8.26 5.04 1.76 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.61 1.12 0.00 0.00 44 E 9.21 4.57 0.00 1.96 1.76 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 2.19 2.19 0.00 45 V 8.47 4.47 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 0.96 0.00 0.00 0.91 0.00 0.00 46 I 8.68 4.32 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.81 0.94 0.00 0.00 47 E 7.90 4.60 0.00 2.03 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 2.31 2.32 0.00 48 G 8.68 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 0.00 0.00 0.00 0.00 49 G 7.71 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 50 P 0.00 4.30 0.00 2.12 2.01 0.00 3.78 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 1.95 1.95 0.00 51 L 8.33 3.56 0.00 1.31 1.07 0.53 0.39 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 52 P 0.00 4.64 0.00 2.01 2.03 0.00 3.27 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 1.84 1.83 0.00 53 F 6.78 4.85 0.00 3.02 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.70 4.06 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.96 4.10 0.00 3.05 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 56 D 8.42 4.40 0.00 2.75 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 57 I 7.41 3.86 1.80 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 1.84 0.47 0.89 0.00 0.00 58 L 7.61 4.33 0.00 0.86 1.49 0.80 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 59 S 7.37 4.02 0.00 3.95 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 60 T 7.79 4.21 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 1.19 0.00 0.00 61 S 7.87 4.62 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 62 C 7.76 4.36 0.00 3.13 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