NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4347 8.1585 120.3629 55.5817 34.6580 177.5929 2 A 4.1910 7.9872 121.1915 53.8035 18.6677 178.0754 3 K 3.9704 9.2262 117.4018 58.8955 33.2638 175.9747 4 E 4.1163 8.2107 116.4535 56.4487 30.3783 176.3544 5 F 4.5156 7.3769 114.7464 55.6615 41.0424 175.5413 6 G 4.0225 8.0286 108.2763 46.3833 0.0000 173.4697 7 I 4.2151 7.6858 121.2923 59.0180 38.0697 174.2365 8 P 4.4959 0.0000 0.0000 62.1597 33.1794 177.0571 9 A 4.0141 8.7266 122.4796 55.6022 18.2083 180.1931 10 A 3.9455 7.9194 118.5496 55.2406 18.4776 179.9505 11 V 3.5356 7.7330 116.0901 65.9310 31.7299 177.9238 12 A 4.0961 8.4680 121.1492 55.2587 18.2271 179.8874 13 G 3.5719 8.5137 104.6091 48.0919 0.0000 176.0609 14 T 3.8640 7.7702 117.6397 66.4862 68.5015 176.8564 15 V 3.6123 7.9618 120.1627 66.1327 31.4989 178.1325 16 L 4.0780 8.1978 118.6359 57.6106 41.3676 179.2292 17 N 4.3308 8.3862 116.9508 56.1443 38.3891 177.5801 18 V 3.5434 7.9296 119.7700 65.7767 31.6065 178.1488 19 V 3.5860 7.9012 118.0099 66.3388 31.1951 178.0107 20 E 4.0321 8.3054 116.6745 58.9115 29.3690 178.3313 21 A 4.3182 8.0336 118.5203 51.7526 18.7374 177.4885 22 G 3.7452 7.9453 105.4830 46.2169 0.0000 174.5510 23 G 3.7203 8.1157 109.4294 44.3473 0.0000 173.9010 24 W 4.7886 8.1532 118.6250 55.8946 30.0661 177.9354 25 V 3.7012 8.8297 121.7987 66.6636 30.7313 178.5152 26 T 3.9010 8.0541 108.8317 65.1671 68.5580 176.4147 27 T 3.9281 7.9878 118.0978 66.4020 68.4524 176.7005 28 I 3.7280 7.7657 121.1958 64.4197 37.1556 178.4426 29 V 3.5947 8.0913 119.2928 66.0955 31.3175 178.2370 30 S 4.1228 8.2946 114.8788 61.6490 62.7284 176.7466 31 I 3.7178 7.8320 122.3637 64.4687 36.8960 178.5786 32 L 4.0195 8.1230 120.1334 57.9560 41.3001 179.7301 33 T 3.9172 8.3086 109.9248 64.7182 68.5333 176.6267 34 A 4.0645 8.0415 123.0282 54.5342 18.4673 179.4633 35 V 3.7643 7.5971 116.4952 64.3981 32.3177 177.1975 36 G 4.0162 8.3932 106.1596 44.0392 0.0000 175.7150 37 S 4.1917 9.0018 114.0740 61.6872 62.7344 177.0521 38 G 4.0502 7.5427 110.1434 47.1521 0.0000 175.8591 39 G 4.1297 7.9086 109.1206 46.9463 0.0000 175.6203 40 L 3.9849 8.1930 121.6420 57.8230 41.6565 179.8505 41 S 4.2145 8.4018 115.2714 61.4416 62.5972 176.5799 42 L 3.3181 7.8986 123.1512 57.8684 41.5318 178.9637 43 L 3.8763 7.8461 117.8709 57.6543 41.8030 179.1123 44 A 4.0696 8.0581 120.5990 55.0554 18.1245 179.5473 45 A 3.9877 7.9614 118.0467 55.0576 18.7480 179.3288 46 A 2.8981 7.4589 118.9373 52.2152 18.5073 178.6787 47 G 3.7154 8.0247 105.6421 47.2722 0.0000 176.3058 48 R 4.2305 8.5706 123.1192 56.3182 30.5282 176.1367 49 E 4.1161 7.6604 119.3646 55.2986 30.3957 176.7857 50 S 4.1530 8.6854 118.9245 59.0766 64.0628 175.4450 51 I 3.7655 8.4041 127.4334 63.7042 37.7502 178.1975 52 K 3.9758 8.0217 120.2735 59.4798 32.1015 178.7022 53 A 4.0028 8.0042 120.6372 55.1455 18.3733 178.7779 54 Y 4.1341 8.3472 118.2416 61.0552 38.8947 178.4532 55 L 3.9427 8.2271 119.8487 57.4299 41.7009 179.5053 56 K 3.8771 8.2807 118.8464 59.4930 31.9606 179.2627 57 K 3.9282 8.1216 119.7281 59.3414 31.9752 178.7789 58 E 3.5965 7.8180 119.0504 59.2128 29.1738 179.3431 59 I 3.6020 7.7983 120.0165 64.1407 36.9086 178.4213 60 K 3.8836 7.7885 119.5365 59.3735 32.0897 178.8133 61 K 4.0686 8.0098 117.9843 58.6328 32.1155 178.6006 62 K 4.3676 8.2750 115.7961 54.4915 34.4594 177.2235 63 G 4.0340 7.8411 106.5023 45.7438 0.0000 174.2837 64 K 3.8120 8.6751 122.4584 59.4118 32.2018 178.9947 65 R 3.8758 8.0779 118.1004 59.7081 29.8702 178.1710 66 A 4.1000 7.9449 119.7802 54.9035 18.1971 179.6327 67 V 3.6331 7.6468 116.4353 66.1076 31.9573 177.9852 68 I 3.9303 8.0702 119.4427 64.4879 36.9678 178.1713 69 A 4.0774 8.1236 121.5266 54.8515 18.1676 177.2946 70 W 4.3742 8.7372 131.7146 57.8032 30.8215 175.4851 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 4.43 0.00 2.12 2.41 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.07 2.55 0.00 2 A 7.99 4.19 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 3 K 9.23 3.97 0.00 1.72 1.87 0.00 1.81 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.38 7.81 4 E 8.21 4.12 0.00 1.22 1.12 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 2.15 2.28 0.00 5 F 7.38 4.52 0.00 3.10 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 6 G 8.03 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 0.00 0.00 0.00 7 I 7.69 4.22 1.98 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.65 0.92 0.00 0.00 8 P 0.00 4.50 0.00 2.16 1.98 0.00 3.62 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 9 A 8.73 4.01 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.92 3.95 1.33 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 0.00 0.00 0.00 0.00 0.00 11 V 7.73 3.54 2.21 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 1.12 0.00 0.00 0.94 0.00 0.00 12 A 8.47 4.10 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.51 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 T 7.77 3.86 4.40 0.00 0.00 0.00 0.00 0.00 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 15 V 7.96 3.61 2.23 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 1.06 0.00 0.00 1.00 0.00 0.00 16 L 8.20 4.08 0.00 1.75 1.71 0.97 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.39 4.33 0.00 2.96 2.85 0.00 0.00 6.52 7.19 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 18 V 7.93 3.54 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 1.03 0.00 0.00 0.96 0.00 0.00 19 V 7.90 3.59 2.26 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 0.99 0.00 0.00 1.03 0.00 0.00 20 E 8.31 4.03 0.00 1.96 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 2.34 2.45 0.00 21 A 8.03 4.32 1.27 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 0.00 0.00 0.00 22 G 7.95 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.12 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.15 4.79 0.00 3.45 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 25 V 8.83 3.70 2.12 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 1.20 0.00 0.00 0.98 0.00 0.00 26 T 8.05 3.90 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 1.18 0.00 0.00 27 T 7.99 3.93 4.48 0.00 0.00 0.00 0.00 0.00 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 28 I 7.77 3.73 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.73 0.94 0.00 0.00 29 V 8.09 3.59 2.18 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 1.13 0.00 0.00 0.97 0.00 0.00 30 S 8.29 4.12 0.00 4.08 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 31 I 7.83 3.72 1.88 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 1.53 0.97 0.92 0.00 0.00 32 L 8.12 4.02 0.00 1.68 1.84 0.91 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.31 3.92 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 1.22 0.00 0.00 34 A 8.04 4.06 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.60 3.76 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 0.80 0.00 0.00 0.94 0.00 0.00 36 G 8.39 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 0.00 0.00 0.00 37 S 9.00 4.19 0.00 4.06 4.15 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 38 G 7.54 4.05 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 0.00 0.00 0.00 39 G 7.91 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.19 3.98 0.00 1.85 1.73 0.92 1.18 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 41 S 8.40 4.21 0.00 4.19 4.11 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 42 L 7.90 3.32 0.00 0.95 1.51 0.16 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.85 3.88 0.00 1.77 1.67 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.06 4.07 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 45 A 7.96 3.99 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.46 2.90 0.93 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 0.00 0.00 47 G 8.02 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.57 4.23 0.00 1.81 1.98 0.00 3.21 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 49 E 7.66 4.12 0.00 1.98 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 0.00 2.42 2.30 0.00 50 S 8.69 4.15 0.00 3.95 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 51 I 8.40 3.77 1.88 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 1.55 1.13 0.94 0.00 0.00 52 K 8.02 3.98 0.00 1.93 1.84 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.50 7.81 53 A 8.00 4.00 1.42 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 0.00 0.00 0.00 54 Y 8.35 4.13 0.00 3.23 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.23 3.94 0.00 1.79 1.73 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.28 3.88 0.00 2.05 1.85 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.55 7.81 57 K 8.12 3.93 0.00 1.88 1.77 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.42 7.81 58 E 7.82 3.60 0.00 1.82 1.48 0.00 0.00 0.00 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 1.55 0.00 59 I 7.80 3.60 1.97 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 1.37 0.80 0.87 0.00 0.00 60 K 7.79 3.88 0.00 1.79 1.93 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.44 7.81 61 K 8.01 4.07 0.00 1.76 1.71 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.55 7.81 62 K 8.28 4.37 0.00 1.57 1.69 0.00 1.09 0.00 0.00 1.38 0.00 0.00 2.73 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.16 1.12 7.81 63 G 7.84 4.03 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 0.00 0.00 0.00 64 K 8.68 3.81 0.00 1.82 1.82 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.46 0.00 0.00 0.00 0.00 1.52 1.51 7.81 65 R 8.08 3.88 0.00 1.92 1.93 0.00 3.24 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 66 A 7.94 4.10 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 V 7.65 3.63 2.23 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 1.00 0.00 0.00 0.86 0.00 0.00 68 I 8.07 3.93 2.09 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 1.50 1.08 0.96 0.00 0.00 69 A 8.12 4.08 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 W 8.74 4.37 0.00 3.43 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00