NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3124 8.3027 118.7974 55.5495 30.8624 177.2268 4 V 3.4000 7.6300 116.2573 65.4953 31.2616 173.8901 5 C 4.9071 7.9880 114.3201 56.6732 41.0860 173.3690 6 S 4.6656 8.3826 112.3684 57.4325 63.7625 174.2856 7 E 4.1145 8.1120 120.7626 56.4427 29.8095 176.8482 8 Q 3.9943 8.3551 120.7448 55.5057 29.4378 176.1137 9 A 3.3666 7.7606 123.5247 51.7963 18.3619 176.9436 10 E 4.6626 8.3160 123.1952 54.8479 31.5610 176.6601 11 T 4.1512 8.6285 114.4088 62.4863 69.5117 175.6192 12 G 4.0081 7.9496 109.0098 44.9516 0.0000 171.1272 13 P 4.3667 0.0000 0.0000 64.8112 31.7442 178.1310 14 C 4.5968 7.8409 115.1478 56.6691 40.8744 173.3939 15 K 4.5712 8.2413 118.7724 56.1753 32.6705 176.3996 16 A 4.4713 7.9240 121.1638 51.2241 21.6422 177.1611 17 M 4.4820 8.4411 117.6904 53.7879 33.8999 175.2438 18 I 4.6472 8.7416 124.7851 59.2514 40.6901 175.2169 19 S 4.6473 8.7767 123.0870 58.3811 63.7419 173.6329 20 R 4.7772 8.3377 122.6613 54.9274 35.5120 173.5405 21 W 5.7529 9.6178 119.6930 55.3948 32.6076 174.8145 22 Y 5.5345 9.3375 121.0255 55.0657 41.3238 174.1712 23 F 4.3424 9.4698 124.2794 58.0556 40.1707 174.0242 24 D 4.6485 7.5593 126.9553 53.1560 41.2680 176.7999 25 V 4.2174 8.6293 119.7973 64.5891 32.2458 178.7081 26 T 3.8725 8.1283 115.6101 66.1892 68.7409 174.7995 27 E 4.3224 8.5636 118.9996 55.0512 29.5797 176.2695 28 G 4.2477 7.6325 105.9000 45.6862 0.0000 172.8405 29 K 4.4587 6.7734 116.6427 55.1678 36.4998 174.5291 30 C 4.8645 8.4856 117.4448 56.9323 42.1583 173.1252 31 A 5.0502 8.7393 122.4766 49.7765 22.7377 173.8336 32 P 4.2112 0.0000 0.0000 62.2869 32.3269 175.7351 33 F 4.7222 8.9619 116.8721 55.6931 41.9916 172.8757 34 F 4.9975 8.4922 118.4575 56.5304 39.8462 174.9582 35 Y 4.6728 9.3289 126.9205 56.5566 40.2175 176.3097 36 G 3.9818 7.8405 112.2030 45.6793 0.0000 174.7203 37 G 3.9052 6.1669 109.1699 45.7995 0.0000 172.7926 38 C 4.9536 7.2050 112.7411 54.5576 45.3365 174.8097 39 G 4.0145 9.2292 108.0279 47.7487 0.0000 172.8353 40 G 4.0105 9.2807 108.1391 44.9894 0.0000 170.1907 41 N 5.0493 8.2170 117.3478 51.5828 40.4367 174.0837 42 R 4.0777 8.3915 115.0956 57.3473 30.9418 177.1684 43 N 4.4418 8.0313 118.7874 51.5878 37.0556 174.6360 44 N 4.8719 6.3041 116.4716 52.7273 40.5512 172.8782 45 F 5.2463 9.2895 125.0787 55.3179 42.2350 176.2303 46 D 4.4958 9.4854 125.0150 57.1318 41.4631 176.9362 47 T 4.8350 7.7879 108.2563 58.9647 73.0410 173.9373 48 E 2.7169 7.3626 122.5150 59.1122 29.3867 179.1389 49 E 3.7514 7.6496 117.8325 59.6322 29.7738 178.5891 50 Y 4.1409 7.6728 119.4124 60.5637 38.6603 177.4639 51 C 2.7024 7.6661 119.4696 59.5189 38.6563 175.5172 52 M 3.7723 8.0886 119.8358 57.4646 31.1829 178.6727 53 A 3.8121 7.4573 120.8522 55.2541 18.7021 179.5676 54 V 3.4964 6.8879 114.8131 65.1504 31.6744 176.0282 55 C 4.4355 7.9907 113.0654 56.2506 41.1594 173.1005 56 G 4.0059 7.2857 108.9381 43.3819 0.0000 173.5993 57 S 4.4007 8.2381 112.7516 57.2865 62.1743 173.0703 58 A 4.7225 7.2181 121.2931 51.1987 22.8027 176.2314 59 I 4.1192 8.0041 118.1945 61.2098 38.4157 175.1585 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 3 E 8.30 4.31 0.00 2.17 1.37 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 2.25 2.30 0.00 4 V 7.63 3.40 2.10 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 0.83 0.00 0.00 0.95 0.00 0.00 5 C 7.99 4.91 0.00 2.89 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 6 S 8.38 4.67 0.00 3.92 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 7 E 8.11 4.11 0.00 2.05 1.92 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 2.59 2.28 0.00 8 Q 8.36 3.99 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.98 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 9 A 7.76 3.37 -0.33 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 10 E 8.32 4.66 0.00 2.00 1.93 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 2.18 2.37 0.00 11 T 8.63 4.15 4.41 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 1.36 0.00 0.00 12 G 7.95 4.01 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 0.00 0.00 0.00 13 P 0.00 4.37 0.00 2.03 2.10 0.00 3.78 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 14 C 7.84 4.60 0.00 2.87 2.95 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 15 K 8.24 4.57 0.00 1.66 1.73 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.35 7.81 16 A 7.92 4.47 1.22 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 0.00 0.00 17 M 8.44 4.48 0.00 1.66 1.87 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 18 I 8.74 4.65 2.03 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.12 0.97 0.00 0.00 19 S 8.78 4.65 0.00 3.75 3.60 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 20 R 8.34 4.78 0.00 1.02 1.83 0.00 2.84 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.49 0.00 21 W 9.62 5.75 0.00 3.52 3.28 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 22 Y 9.34 5.53 0.00 3.05 2.71 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 23 F 9.47 4.34 0.00 3.12 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.56 4.65 0.00 2.21 2.27 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 25 V 8.63 4.22 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.01 0.00 0.00 26 T 8.13 3.87 4.42 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 1.21 0.00 0.00 27 E 8.56 4.32 0.00 1.87 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 2.21 2.19 0.00 28 G 7.63 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 6.77 4.46 0.00 1.71 1.77 0.00 1.26 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.25 7.81 30 C 8.49 4.86 0.00 2.80 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 31 A 8.74 5.05 1.04 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 32 P 0.00 4.21 0.00 1.50 1.09 0.00 3.57 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.04 0.00 33 F 8.96 4.72 0.00 2.97 2.92 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 34 F 8.49 5.00 0.00 2.96 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 35 Y 9.33 4.67 0.00 2.50 2.77 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 36 G 7.84 3.98 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 0.00 0.00 0.00 37 G 6.17 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 38 C 7.21 4.95 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 39 G 9.23 4.01 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 0.00 0.00 0.00 40 G 9.28 4.01 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 0.00 0.00 0.00 41 N 8.22 5.05 0.00 2.75 2.79 0.00 0.00 5.88 7.66 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 42 R 8.39 4.08 0.00 1.80 1.96 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 1.60 1.59 0.00 43 N 8.03 4.44 0.00 2.90 2.86 0.00 0.00 6.85 7.26 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 44 N 6.30 4.87 0.00 2.70 2.43 0.00 0.00 7.09 7.02 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 45 F 9.29 5.25 0.00 3.53 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 46 D 9.49 4.50 0.00 2.71 2.83 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 0.00 0.00 0.00 47 T 7.79 4.83 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 1.27 0.00 0.00 48 E 7.36 2.72 0.00 1.16 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 1.86 1.64 0.00 49 E 7.65 3.75 0.00 2.01 1.91 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 2.32 2.31 0.00 50 Y 7.67 4.14 0.00 2.92 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 51 C 7.67 2.70 0.00 2.93 3.08 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 0.00 0.00 0.00 0.00 52 M 8.09 3.77 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.58 0.00 53 A 7.46 3.81 1.24 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 54 V 6.89 3.50 1.45 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 0.79 0.00 0.00 0.36 0.00 0.00 55 C 7.99 4.44 0.00 2.98 2.49 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 56 G 7.29 4.01 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 0.00 0.00 0.00 57 S 8.24 4.40 0.00 3.96 3.89 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 0.00 0.00 0.00 58 A 7.22 4.72 1.15 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 0.00 0.00 59 I 8.00 4.12 1.82 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 1.25 0.96 0.87 0.00 0.00