NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5160 8.3049 120.6136 55.6321 34.0845 174.8149 2 I 4.3655 8.3783 124.3552 59.1083 40.8725 170.7227 3 E 4.6776 9.6696 129.9622 55.3088 32.2244 175.1065 4 V 4.7996 8.2823 118.3071 59.7732 35.9404 174.5747 5 V 4.0447 8.5267 127.0461 62.6824 32.6969 175.0781 6 C 4.7082 8.5625 126.6763 58.3154 28.1400 170.7036 7 N 4.4027 8.4542 121.6935 53.3952 39.9407 173.5968 8 D 4.4575 8.6629 127.6344 53.0973 40.0624 176.8761 9 R 3.8306 8.5008 125.0449 59.2894 30.2515 177.2421 10 L 4.1101 8.3806 119.9672 56.7358 42.6272 176.8081 11 G 4.4464 7.4138 118.1457 44.3912 0.0000 170.0213 12 K 4.2918 7.3794 120.7357 56.0745 37.4302 174.5779 13 K 4.7097 8.7003 121.3163 54.6559 35.5257 176.6217 14 V 4.2955 8.4583 125.6911 60.9979 34.0367 174.7417 15 R 4.5164 8.6064 127.0892 55.8737 31.1474 176.1895 16 V 4.5821 8.5255 121.4108 60.9355 35.6809 174.0065 17 K 4.8823 8.5189 124.4592 54.8056 34.5050 174.4355 18 C 4.6629 8.6427 124.7618 57.7880 33.6281 172.4761 19 N 5.0529 8.6673 113.2998 52.1831 39.5373 175.2262 20 T 3.7634 8.7087 114.0600 65.3982 67.3934 174.5415 21 D 4.3854 7.3950 119.3738 57.1328 41.6427 176.2785 22 D 4.4882 8.1736 118.0699 54.4510 41.9281 174.5981 23 T 5.1358 7.9079 112.5026 59.4269 72.8131 175.1831 24 I 3.7999 8.1715 120.8447 64.4766 37.2201 178.7393 25 G 3.7124 8.1810 107.3984 47.2672 0.0000 175.2380 26 D 4.3597 7.8462 121.2837 57.1062 40.7504 178.7592 27 L 4.0171 7.9220 119.4357 57.8761 41.6583 179.6883 28 K 4.0479 8.4090 118.6200 59.5846 32.0337 179.3172 29 K 4.2368 8.1238 119.3074 59.0964 31.8374 178.8138 30 L 3.9981 7.8270 119.0418 57.9526 41.8887 179.2668 31 I 3.9857 7.6566 119.2426 64.2422 36.9922 178.2555 32 A 4.0296 8.3438 121.3971 54.3115 18.2936 177.9090 33 A 4.5348 8.4145 120.0429 51.9001 19.5074 177.5239 34 Q 4.7435 7.9883 119.1068 58.4741 36.2053 176.5317 35 T 4.1389 8.1307 106.1413 61.2380 70.3307 174.2818 36 G 3.5909 8.1759 108.7380 46.5800 0.0000 173.4433 37 T 4.1191 7.3904 102.0766 60.5978 69.5621 175.6887 38 R 3.2333 7.7896 122.9561 55.7207 29.0107 175.7522 39 W 5.2050 7.2277 110.7479 56.2922 29.1396 174.2490 40 N 5.0127 8.1580 114.4987 55.7030 40.3631 175.6337 41 K 4.0971 7.9917 117.6044 58.9852 32.6533 177.1394 42 I 3.8236 7.7334 118.8549 61.4222 38.8295 176.5081 43 V 4.0719 8.8003 130.3382 61.6711 31.2580 173.0568 44 L 4.3656 8.0606 124.6730 52.7322 41.6803 175.0314 45 K 3.4413 8.1576 122.4117 53.7907 36.2690 175.6199 46 K 3.9319 7.6436 127.0643 56.8898 32.3629 175.9621 47 W 4.5202 8.6398 130.3343 55.8736 28.5993 174.6331 48 Y 5.7948 7.0535 122.8448 58.3340 39.5997 172.3272 49 T 4.6362 7.7302 116.9299 61.2819 72.8083 174.2836 50 I 3.6897 8.4514 125.9885 60.9386 37.6047 175.8696 51 F 4.3433 8.6446 128.6531 56.4801 37.8562 175.0923 52 K 4.5686 8.2245 124.8613 54.7856 34.1525 176.4957 53 D 4.4658 8.7894 121.1177 57.9754 41.7771 176.8072 54 H 4.7443 7.9307 116.2348 54.3692 27.0890 173.0903 55 V 4.3998 6.9558 111.3754 61.7476 36.2936 175.0479 56 S 5.0894 8.1417 112.0602 59.9785 64.4739 175.5979 57 L 3.1845 7.6977 120.2869 54.6860 39.4762 173.5796 58 G 4.0883 6.1606 108.1165 46.6558 0.0000 173.3758 59 D 4.2659 7.6487 118.8202 56.1404 41.3011 176.0562 60 Y 4.7176 6.4223 115.5017 56.0403 38.2811 174.8617 61 E 3.6265 7.6640 120.9093 57.4579 27.6939 172.6280 62 I 4.4174 7.5639 121.4059 59.1745 39.6912 174.8396 63 H 5.0980 8.0276 119.9534 53.8624 32.7173 174.1559 64 D 4.6243 8.3581 121.7092 50.0719 37.7183 174.7065 65 G 3.2423 7.1137 113.1210 45.7865 0.0000 169.9178 66 M 4.9536 8.4507 120.3982 54.3581 35.7939 174.6835 67 N 5.2067 8.6036 116.1854 51.7306 40.9791 174.5430 68 L 4.7283 8.2582 120.6608 52.8142 46.2043 175.6381 69 E 3.8202 8.1706 122.4178 55.8755 31.0015 175.6052 70 L 4.4264 7.9331 125.7931 53.3473 44.3537 173.9455 71 Y 4.9615 7.7931 124.2154 56.5668 39.9997 174.3372 72 Y 5.1668 8.5215 121.6658 56.4714 39.8991 175.9220 73 Q 4.1307 8.6210 122.2486 56.2805 30.0401 174.6892 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 8.30 4.52 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.65 0.00 2 I 8.38 4.37 1.82 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 1.12 0.95 0.96 0.00 0.00 3 E 9.67 4.68 0.00 2.06 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 2.34 2.34 0.00 4 V 8.28 4.80 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 0.62 0.00 0.00 0.97 0.00 0.00 5 V 8.53 4.04 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 0.92 0.00 0.00 6 C 8.56 4.71 0.00 3.11 2.80 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 0.00 0.00 0.00 7 N 8.45 4.40 0.00 2.66 2.72 0.00 0.00 7.08 8.27 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 8 D 8.66 4.46 0.00 2.98 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 9 R 8.50 3.83 0.00 1.79 2.19 0.00 3.38 0.00 0.00 3.41 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.72 0.00 10 L 8.38 4.11 0.00 1.86 2.01 1.03 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 11 G 7.41 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 0.00 0.00 0.00 0.00 12 K 7.38 4.29 0.00 1.92 1.85 0.00 1.48 0.00 0.00 1.66 0.00 0.00 3.18 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.24 1.35 7.81 13 K 8.70 4.71 0.00 1.59 1.67 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.44 7.81 14 V 8.46 4.30 2.11 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 0.96 0.00 0.00 1.03 0.00 0.00 15 R 8.61 4.52 0.00 1.74 1.84 0.00 3.19 0.00 0.00 3.14 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 16 V 8.53 4.58 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.00 0.00 0.00 17 K 8.52 4.88 0.00 1.74 1.63 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.47 7.81 18 C 8.64 4.66 0.00 3.02 2.91 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 19 N 8.67 5.05 0.00 2.92 2.91 0.00 0.00 5.60 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 20 T 8.71 3.76 4.20 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 1.20 0.00 0.00 21 D 7.39 4.39 0.00 2.78 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 22 D 8.17 4.49 0.00 2.96 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.91 5.14 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 24 I 8.17 3.80 2.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.81 1.01 0.00 0.00 25 G 8.18 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 0.00 0.00 0.00 26 D 7.85 4.36 0.00 2.92 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.92 4.02 0.00 1.93 1.79 1.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.41 4.05 0.00 1.99 2.09 0.00 1.79 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.57 1.75 7.81 29 K 8.12 4.24 0.00 2.06 1.93 0.00 1.79 0.00 0.00 1.85 0.00 0.00 3.05 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.60 7.81 30 L 7.83 4.00 0.00 1.79 1.77 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.66 3.99 1.95 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 1.49 0.59 1.00 0.00 0.00 32 A 8.34 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.41 4.53 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 34 Q 7.99 4.74 0.00 2.30 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.89 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 35 T 8.13 4.14 4.22 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 1.23 0.00 0.00 36 G 8.18 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 37 T 7.39 4.12 4.08 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 0.72 0.00 0.00 38 R 7.79 3.23 0.00 1.78 1.53 0.00 3.02 0.00 0.00 2.64 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.31 0.00 39 W 7.23 5.21 0.00 3.39 3.30 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 40 N 8.16 5.01 0.00 3.05 2.90 0.00 0.00 7.08 6.72 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 41 K 7.99 4.10 0.00 1.73 1.83 0.00 1.82 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.44 7.81 42 I 7.73 3.82 2.26 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.93 1.09 0.00 0.00 43 V 8.80 4.07 2.33 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 1.05 0.00 0.00 1.08 0.00 0.00 44 L 8.06 4.37 0.00 1.51 1.49 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.16 3.44 0.00 1.63 1.53 0.00 1.54 0.00 0.00 1.54 0.00 0.00 2.67 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.23 1.15 7.81 46 K 7.64 3.93 0.00 2.03 2.04 0.00 2.05 0.00 0.00 2.11 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.61 1.53 7.81 47 W 8.64 4.52 0.00 3.75 3.29 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 48 Y 7.05 5.79 0.00 2.97 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 49 T 7.73 4.64 4.65 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 0.00 0.00 0.00 1.47 0.00 0.00 50 I 8.45 3.69 1.88 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 1.44 0.68 0.98 0.00 0.00 51 F 8.64 4.34 0.00 2.77 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 52 K 8.22 4.57 0.00 1.93 1.86 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.51 7.81 53 D 8.79 4.47 0.00 2.65 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.93 4.74 0.00 3.21 3.27 0.00 5.78 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 6.96 4.40 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 0.87 0.00 0.00 1.16 0.00 0.00 56 S 8.14 5.09 0.00 3.74 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.70 3.18 0.00 1.79 1.56 1.04 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 58 G 6.16 4.09 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 0.00 0.00 0.00 59 D 7.65 4.27 0.00 2.58 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 6.42 4.72 0.00 3.31 3.14 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 61 E 7.66 3.63 0.00 2.16 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 0.00 2.35 2.32 0.00 62 I 7.56 4.42 1.85 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.05 0.90 0.00 0.00 63 H 8.03 5.10 0.00 3.12 3.16 0.00 5.70 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 64 D 8.36 4.62 0.00 2.83 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 7.11 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 0.00 0.00 0.00 66 M 8.45 4.95 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.66 0.00 67 N 8.60 5.21 0.00 2.51 2.59 0.00 0.00 6.66 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.26 4.73 0.00 1.51 1.34 1.02 1.23 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 69 E 8.17 3.82 0.00 1.80 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 2.23 1.97 0.00 70 L 7.93 4.43 0.00 1.43 1.21 0.88 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 71 Y 7.79 4.96 0.00 2.95 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Y 8.52 5.17 0.00 2.89 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 8.62 4.13 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.64 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00