NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3968 8.1133 121.1254 57.0670 32.0318 173.4367 2 T 5.2920 7.8585 115.9024 63.6230 72.5183 172.4869 3 C 5.1322 9.4011 120.8053 55.5901 44.7209 172.6859 4 M 5.8723 8.7405 121.5299 53.1650 34.6640 174.5827 5 I 4.2935 8.0356 120.7652 59.0725 42.5854 173.5855 6 K 3.6623 7.8473 122.5701 53.7514 32.6557 178.4057 7 K 3.6845 9.7177 130.8656 54.9189 31.1976 178.5982 8 E 4.0133 7.5752 118.4038 58.9284 30.2459 179.3632 9 G 3.8978 7.8442 106.8173 46.8323 0.0000 173.9336 10 W 4.6219 7.8592 119.3581 56.7735 30.0277 176.5866 11 G 4.1848 8.2231 106.1097 43.5076 0.0000 173.7147 12 K 4.6535 8.3683 121.5333 56.3031 33.1213 175.9806 13 C 5.0486 8.4816 118.5639 54.7727 45.8566 173.0675 14 L 4.4471 8.4687 123.6328 56.0712 42.4510 176.7771 15 I 4.6824 7.4766 120.6702 61.1542 38.2050 175.4860 16 D 4.8801 8.7878 121.3507 55.6786 43.5384 177.4428 17 T 4.3448 7.7949 114.6673 65.2079 68.7996 176.7329 18 T 3.9260 7.9572 117.5588 67.0450 68.4810 176.5203 19 C 4.2620 8.2488 119.1793 59.7859 42.2644 174.9503 20 A 3.9862 8.1608 121.9264 55.8470 17.7496 178.4215 21 H 4.1816 8.8022 116.7986 59.9443 29.6669 177.3326 22 S 3.9266 7.6864 116.0832 62.0502 63.0306 175.9120 23 C 4.4407 8.6491 118.9820 60.1003 38.2283 175.6125 24 K 4.7286 8.6313 122.3840 59.6070 31.6114 178.3018 25 N 4.0022 8.1363 115.9534 56.6197 38.5915 176.9125 26 R 4.2860 8.0442 118.7886 57.0041 30.4836 175.8107 27 G 4.1676 8.7468 109.5255 46.6740 0.0000 172.8990 28 Y 4.7146 8.2470 115.7149 55.4682 41.7562 177.0786 29 I 3.8748 9.5942 122.9677 63.5897 37.8521 176.9436 30 G 4.0367 7.7126 106.0994 46.7677 0.0000 170.7015 31 G 5.0037 8.2951 106.4742 47.0082 0.0000 171.2643 32 N 5.2104 8.5501 117.2685 52.2781 43.4625 173.6832 33 C 5.8454 8.4549 116.9193 53.6729 41.8252 173.8846 34 K 3.9612 8.3565 126.6545 55.7045 32.2440 177.9877 35 G 3.5504 8.7881 117.4011 48.6306 0.0000 173.9412 36 M 4.0753 8.1585 119.0267 58.0902 32.1161 176.6009 37 T 4.4733 7.5552 104.0503 60.0905 70.4918 173.8157 38 R 3.6995 7.9892 121.0592 58.2616 28.2821 174.7120 39 T 5.0285 7.2379 113.3969 61.8704 73.5336 175.0366 40 C 5.3099 8.6585 122.9216 55.6883 45.1353 172.4328 41 Y 5.4173 9.6909 124.3769 56.2510 41.1770 174.1713 42 C 5.2643 8.2152 117.1378 55.6174 42.7174 173.5378 43 L 5.0913 9.7117 126.4085 55.5472 41.9120 176.3516 44 V 4.7292 9.3520 115.1105 59.3124 36.3176 174.8761 45 N 4.9752 8.6168 120.7468 52.6161 37.6904 175.3740 46 C 4.5334 8.3016 123.4245 56.1543 45.0287 173.5441 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 R 8.11 4.40 0.00 1.96 2.11 0.00 3.23 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 2 T 7.86 5.29 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 1.26 0.00 0.00 3 C 9.40 5.13 0.00 2.82 2.93 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 4 M 8.74 5.87 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.49 0.00 5 I 8.04 4.29 1.76 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.56 1.04 0.00 0.00 6 K 7.85 3.66 0.00 1.32 1.47 0.00 1.46 0.00 0.00 1.45 0.00 0.00 2.87 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.14 0.21 7.81 7 K 9.72 3.68 0.00 1.11 0.74 0.00 0.61 0.00 0.00 0.90 0.00 0.00 2.13 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.36 0.21 7.81 8 E 7.58 4.01 0.00 2.13 2.14 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 2.30 2.29 0.00 9 G 7.84 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 10 W 7.86 4.62 0.00 3.47 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.37 4.65 0.00 1.90 1.90 0.00 1.19 0.00 0.00 2.32 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.40 7.81 13 C 8.48 5.05 0.00 2.97 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 14 L 8.47 4.45 0.00 1.78 1.77 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 15 I 7.48 4.68 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 1.43 0.95 0.92 0.00 0.00 16 D 8.79 4.88 0.00 2.62 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 17 T 7.79 4.34 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 18 T 7.96 3.93 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 1.26 0.00 0.00 19 C 8.25 4.26 0.00 3.07 3.15 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 20 A 8.16 3.99 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 0.00 0.00 0.00 0.00 0.00 21 H 8.80 4.18 0.00 3.36 3.36 0.00 5.63 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 S 7.69 3.93 0.00 4.36 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 C 8.65 4.44 0.00 3.19 3.24 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 24 K 8.63 4.73 0.00 1.90 2.02 0.00 1.76 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.61 7.81 25 N 8.14 4.00 0.00 2.90 2.82 0.00 0.00 6.96 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 26 R 8.04 4.29 0.00 2.19 2.44 0.00 3.43 0.00 0.00 3.53 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.09 0.00 27 G 8.75 4.17 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 0.00 0.00 0.00 28 Y 8.25 4.71 0.00 3.20 3.31 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 0.00 29 I 9.59 3.87 2.00 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 1.25 0.55 0.95 0.00 0.00 30 G 7.71 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.30 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.55 5.21 0.00 2.78 2.66 0.00 0.00 6.06 6.95 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 33 C 8.45 5.85 0.00 2.89 2.93 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 34 K 8.36 3.96 0.00 1.45 1.53 0.00 0.80 0.00 0.00 1.58 0.00 0.00 2.34 0.00 0.00 2.27 0.00 0.00 0.00 0.00 1.30 1.10 7.81 35 G 8.79 3.55 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 0.00 0.00 0.00 36 M 8.16 4.08 0.00 1.94 2.09 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.54 0.00 37 T 7.56 4.47 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 38 R 7.99 3.70 0.00 1.92 1.95 0.00 3.22 0.00 0.00 3.16 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 39 T 7.24 5.03 4.45 0.00 0.00 0.00 0.00 0.00 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 40 C 8.66 5.31 0.00 3.09 3.15 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 41 Y 9.69 5.42 0.00 2.88 2.87 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 42 C 8.22 5.26 0.00 2.21 2.35 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 43 L 9.71 5.09 0.00 1.71 1.86 1.02 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 44 V 9.35 4.73 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 0.85 0.00 0.00 0.84 0.00 0.00 45 N 8.62 4.98 0.00 2.70 2.73 0.00 0.00 7.13 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 46 C 8.30 4.53 0.00 2.90 3.01 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 0.00 0.00 0.00