NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 F 5.2063 8.3249 119.4457 57.6849 40.3841 173.7557 1 S 4.7251 8.2253 117.1352 55.4628 66.9648 171.8502 2 P 4.3631 0.0000 0.0000 62.4993 32.2152 177.3137 3 L 4.1405 8.6785 124.3388 57.4696 41.8379 177.5369 4 S 4.6392 7.8187 110.9941 56.7115 65.3695 173.3543 5 S 4.6812 8.6355 119.7366 58.1557 63.1955 174.0043 6 Q 4.3962 8.1616 120.5324 54.9940 29.5645 175.9532 7 S 4.4331 8.3191 114.6893 58.4094 63.8994 173.6648 8 S 4.6754 8.1958 116.2182 56.3817 65.9179 173.9712 9 A 4.3046 8.5930 127.2549 52.2216 18.8696 177.6325 10 C 5.0732 8.6401 119.3385 55.1284 44.0173 174.0303 11 C 4.9528 8.0558 118.2443 55.3705 42.3153 174.1205 12 F 4.5008 8.4337 118.9805 56.8966 40.2811 174.4307 13 A 4.4578 7.3465 121.7905 51.0455 21.9115 175.1006 14 Y 5.1111 8.0442 116.6247 55.7521 40.8468 176.0403 15 I 3.8591 8.8583 125.5426 61.2056 38.6427 175.9120 16 A 4.2913 8.6794 129.8564 54.0954 18.7714 177.4074 17 R 4.5147 7.4605 113.4994 53.2957 33.3680 172.9887 18 P 2.0000 0.0000 0.0000 61.5677 31.6253 176.6004 19 L 4.2071 7.4613 122.3192 53.8450 41.8911 174.7672 20 P 4.1379 0.0000 0.0000 62.5000 31.7813 177.5266 21 R 3.2083 8.6753 123.6872 59.1697 30.0146 178.2515 22 A 4.0335 7.7312 118.9761 54.9737 18.6921 177.5544 23 H 4.5900 8.3420 112.0447 56.4683 29.1951 174.6897 24 I 4.9439 7.4575 121.6198 59.5140 38.4800 175.3884 25 K 4.6206 8.8216 123.5038 57.3152 34.7743 175.3032 26 E 5.0164 8.1037 120.1914 55.7420 33.2228 172.7752 27 Y 5.3921 8.2346 119.8510 56.0238 41.3485 173.6383 28 F 4.4698 8.2389 113.5666 55.9233 41.6989 172.5692 29 Y 4.9356 8.4961 117.9947 57.1434 38.8739 175.8831 30 T 4.4387 8.4872 114.2107 61.1760 70.2252 174.3554 31 S 4.1826 8.9002 117.1458 58.6378 62.7656 175.4976 32 G 3.8256 8.6228 115.1820 47.4793 0.0000 174.6353 33 K 4.1439 8.0462 119.1842 58.8162 32.3936 177.2165 34 C 4.5610 7.7997 116.1537 56.5290 40.6206 174.1104 35 S 4.1292 8.6126 116.9154 60.3989 63.0190 174.3284 36 N 5.0651 7.5987 116.9681 50.1630 41.1768 172.2590 37 P 4.4235 0.0000 0.0000 62.9468 32.4921 175.0925 38 A 4.7396 8.0086 120.9136 51.3967 23.4528 174.8712 39 V 4.4891 8.5113 119.0105 60.9489 34.6734 174.3961 40 V 4.4288 7.8871 127.3699 60.9837 33.8923 174.0064 41 F 5.2773 8.9693 126.9170 55.9983 41.2234 174.7709 42 V 4.8395 9.0977 124.7983 61.8514 33.1336 175.8723 43 T 4.8627 8.9036 119.0872 60.7679 70.3922 176.0725 44 R 3.9511 8.6773 120.7862 59.1514 30.0396 178.0680 45 K 4.3923 7.9928 115.0551 56.2156 32.0390 176.1723 46 N 4.3161 8.0545 113.9655 54.4489 36.5566 174.7505 47 R 4.4419 8.0169 116.9170 55.8400 32.2093 175.9463 48 Q 4.9435 8.6421 119.8077 54.4900 30.7876 174.9805 49 V 4.3195 8.9057 125.7859 61.6165 33.3857 174.3779 50 C 5.1838 8.8687 124.9680 56.6920 42.4427 172.3922 51 A 5.1412 8.9467 123.1665 50.4609 23.2769 174.7154 52 N 3.8205 8.1273 117.8901 51.5384 39.4929 174.3442 53 P 4.1317 0.0000 0.0000 65.4536 31.5339 177.3142 54 E 4.0456 8.2306 114.7804 57.6821 30.3405 177.9408 55 K 3.9997 7.5307 121.0680 55.6538 33.6340 177.5584 56 K 3.8571 8.5577 124.8058 59.4284 32.2041 179.0850 57 W 4.2077 8.1009 116.4429 59.5548 27.8489 178.3080 58 V 2.9732 6.4967 118.5294 65.6296 30.9251 178.1234 59 R 3.9252 7.6518 117.4089 58.9886 29.8770 178.9125 60 E 4.0380 8.6016 119.1084 59.5787 29.2697 178.8698 61 Y 4.3351 8.2170 117.5574 60.6171 38.2151 178.3242 62 I 3.4460 7.9434 120.7549 64.2976 36.8255 177.9242 63 N 4.3544 8.3565 118.1308 56.6166 38.9203 176.6156 64 S 4.3867 8.2906 114.4327 59.9927 63.0894 175.3255 65 L 4.5783 7.7424 121.2434 54.3992 43.1989 176.3187 66 E 4.5890 7.2811 117.4929 55.7725 30.5866 176.1530 67 M 4.4209 8.4746 120.4875 55.3369 32.1815 176.5779 68 S 4.3364 7.8305 119.6110 59.2375 63.6131 175.9469 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 0 F 8.32 5.21 0.00 3.00 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 1 S 8.23 4.73 0.00 3.90 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 2 P 0.00 4.36 0.00 2.28 2.00 0.00 3.64 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 3 L 8.68 4.14 0.00 1.64 1.79 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 4 S 7.82 4.64 0.00 3.79 3.66 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 0.00 0.00 0.00 5 S 8.64 4.68 0.00 4.01 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 6 Q 8.16 4.40 0.00 2.00 2.05 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 2.36 2.28 0.00 7 S 8.32 4.43 0.00 4.00 3.88 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 8 S 8.20 4.68 0.00 3.85 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 9 A 8.59 4.30 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 10 C 8.64 5.07 0.00 2.90 2.57 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 11 C 8.06 4.95 0.00 2.75 2.78 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 12 F 8.43 4.50 0.00 2.97 2.98 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 13 A 7.35 4.46 1.20 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 0.00 0.00 14 Y 8.04 5.11 0.00 3.01 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 15 I 8.86 3.86 2.05 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.83 1.35 0.00 0.00 16 A 8.68 4.29 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 17 R 7.46 4.51 0.00 1.64 1.61 0.00 3.17 0.00 0.00 3.11 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.48 0.00 18 P 0.00 2.00 0.00 1.48 0.57 0.00 3.25 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.44 0.00 19 L 7.46 4.21 0.00 1.72 1.65 1.04 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.14 0.00 1.54 1.77 0.00 3.45 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.89 0.00 21 R 8.68 3.21 0.00 1.12 1.64 0.00 2.62 0.00 0.00 2.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.41 0.00 22 A 7.73 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.34 4.59 0.00 3.30 3.33 0.00 5.61 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.46 4.94 1.89 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.65 1.15 0.00 0.00 25 K 8.82 4.62 0.00 1.75 1.93 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.20 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.41 7.81 26 E 8.10 5.02 0.00 2.11 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 2.34 2.32 0.00 27 Y 8.23 5.39 0.00 2.64 2.99 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 0.00 0.00 0.00 28 F 8.24 4.47 0.00 2.99 2.89 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 29 Y 8.50 4.94 0.00 2.94 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 30 T 8.49 4.44 4.39 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 1.26 0.00 0.00 31 S 8.90 4.18 0.00 3.90 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.62 3.83 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 0.00 0.00 0.00 33 K 8.05 4.14 0.00 1.78 1.90 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.42 7.81 34 C 7.80 4.56 0.00 3.03 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 35 S 8.61 4.13 0.00 4.02 4.07 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 36 N 7.60 5.07 0.00 2.64 2.69 0.00 0.00 6.93 8.02 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 37 P 0.00 4.42 0.00 2.19 2.06 0.00 3.88 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 38 A 8.01 4.74 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 39 V 8.51 4.49 1.60 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 0.05 0.00 0.00 0.69 0.00 0.00 40 V 7.89 4.43 0.67 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 0.65 0.00 0.00 0.61 0.00 0.00 41 F 8.97 5.28 0.00 3.20 3.02 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 42 V 9.10 4.84 2.22 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 1.16 0.00 0.00 1.14 0.00 0.00 43 T 8.90 4.86 4.37 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 1.35 0.00 0.00 44 R 8.68 3.95 0.00 1.83 2.04 0.00 3.09 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 45 K 7.99 4.39 0.00 1.76 1.83 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.45 7.81 46 N 8.05 4.32 0.00 2.92 2.96 0.00 0.00 6.87 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 47 R 8.02 4.44 0.00 1.83 1.90 0.00 3.11 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 48 Q 8.64 4.94 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 49 V 8.91 4.32 2.31 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 1.19 0.00 0.00 1.04 0.00 0.00 50 C 8.87 5.18 0.00 3.06 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 51 A 8.95 5.14 1.13 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 52 N 8.13 3.82 0.00 1.57 2.20 0.00 0.00 6.90 7.71 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 53 P 0.00 4.13 0.00 1.99 2.12 0.00 3.44 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 54 E 8.23 4.05 0.00 1.97 1.96 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 2.30 2.15 0.00 55 K 7.53 4.00 0.00 1.25 1.30 0.00 1.62 0.00 0.00 1.55 0.00 0.00 3.10 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.22 1.43 7.81 56 K 8.56 3.86 0.00 1.80 1.83 0.00 1.73 0.00 0.00 1.89 0.00 0.00 3.01 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.54 1.50 7.81 57 W 8.10 4.21 0.00 3.22 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 58 V 6.50 2.97 1.61 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 0.71 0.00 0.00 -0.89 0.00 0.00 59 R 7.65 3.93 0.00 1.99 1.92 0.00 3.13 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 60 E 8.60 4.04 0.00 2.22 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 0.00 2.57 2.55 0.00 61 Y 8.22 4.34 0.00 3.00 2.85 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 62 I 7.94 3.45 1.85 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.82 0.56 0.00 0.00 63 N 8.36 4.35 0.00 2.81 3.04 0.00 0.00 7.01 7.21 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 64 S 8.29 4.39 0.00 4.07 4.10 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 65 L 7.74 4.58 0.00 1.92 1.98 1.23 0.76 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 66 E 7.28 4.59 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.56 0.00 67 M 8.47 4.42 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.51 0.00 68 S 7.83 4.34 0.00 3.83 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00