NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 N 4.6749 8.2833 119.2001 53.4707 41.3444 176.3954 7 I 3.4417 7.7808 119.2627 63.4794 37.0113 176.3853 8 Q 3.7779 8.7014 121.1647 59.3617 29.3543 177.5838 9 D 4.1733 7.9040 119.3652 57.0698 40.8636 178.7815 10 K 3.8340 7.9169 118.9552 59.2173 31.9368 179.3117 11 A 3.3904 7.5936 120.9916 54.9040 18.2518 179.6975 12 L 3.3325 7.2432 117.4866 57.6012 41.3986 179.4336 13 E 4.0876 8.0725 119.5266 59.0683 29.5347 178.3887 14 N 4.2320 7.8522 117.2093 56.7046 39.0444 176.8655 15 F 4.4678 7.8752 119.4592 60.4947 38.8397 177.6782 16 K 4.3069 8.6318 120.3483 59.0831 31.8885 178.8198 17 A 4.0646 8.3046 120.1962 54.6162 18.3640 178.3475 18 N 4.6800 8.0574 111.9039 51.9728 39.4846 174.9552 19 Q 3.4341 7.8526 118.6514 57.0932 27.1280 174.3864 20 T 4.0793 7.7813 113.0304 63.3769 69.5963 175.3895 21 E 4.2053 8.7559 126.9438 56.2695 30.0655 175.6252 22 V 4.2952 8.7945 128.2805 61.3119 34.4324 174.3347 23 T 4.7062 8.7863 124.6795 62.0245 70.4672 173.6070 24 V 4.3799 8.6686 127.7773 61.5602 33.3029 174.4263 25 F 4.8172 9.0069 127.3930 56.1351 40.9815 175.8890 26 F 4.9347 9.1578 122.6094 55.9331 40.7576 176.9782 27 L 4.3022 9.1790 119.8864 57.3683 41.3815 178.4675 28 N 4.6405 8.3419 113.0772 52.9016 37.6360 175.8495 29 G 4.1229 8.5303 108.6364 45.3450 0.0000 174.0645 30 F 4.5258 8.5519 122.6097 58.0763 40.0597 173.5350 31 Q 4.5370 6.9268 122.7629 54.2311 31.4614 174.1910 32 M 4.4532 8.5138 120.8387 53.6500 35.6653 173.4276 33 K 4.7872 8.4304 127.3808 55.1216 34.0420 175.4609 34 G 4.1925 8.5519 114.6353 45.9261 0.0000 171.4824 35 V 4.9923 8.3213 120.3282 59.8369 34.4431 175.3179 36 I 4.4981 8.3900 125.1807 61.2860 37.4974 175.8995 37 E 4.3854 9.2254 129.5674 57.8382 30.7334 175.5079 38 E 4.7250 7.8865 114.9614 56.1751 31.8147 173.4401 39 Y 5.1197 7.4392 115.4933 56.6828 40.2991 173.5768 40 D 4.6047 8.8174 119.6354 52.5428 41.7532 175.0464 41 K 3.9871 8.6574 116.6966 59.2823 32.3212 177.2022 42 Y 4.9902 8.7270 115.5290 57.9301 40.3401 175.4802 43 V 5.1589 7.9699 111.1196 59.4802 36.7470 174.6350 44 V 4.8772 8.8410 121.5618 61.3356 35.0889 174.0819 45 S 5.2073 9.2969 122.9925 56.8165 64.0945 172.2545 46 L 5.2280 8.9985 130.0731 53.3736 44.6951 174.6649 47 N 5.2843 9.2768 124.8951 52.5331 40.3003 174.3476 48 S 4.6612 9.2075 118.0531 57.5941 66.3865 173.9913 49 Q 3.3607 9.8484 126.1110 57.1393 26.1499 174.9445 50 G 3.9792 8.3757 102.8725 45.5082 0.0000 173.5333 51 K 4.6494 7.9633 118.8651 54.3921 35.1326 174.8290 52 Q 4.8611 8.3150 120.0904 55.1820 30.4205 174.9690 53 H 4.8206 8.8251 119.4553 53.9989 32.5532 172.1300 54 L 4.8526 8.7190 126.1281 53.7748 43.0385 175.2585 55 I 4.6191 8.8006 128.2706 59.5346 39.8873 175.1122 56 Y 4.6415 8.5263 124.7947 57.4873 38.6726 176.9597 57 K 4.0292 9.4607 125.3753 59.6740 32.4148 178.9696 58 H 4.2912 8.4300 112.9478 57.8166 28.5985 175.6943 59 A 4.6295 8.4189 122.2904 52.0765 19.3080 176.1651 60 I 4.4429 7.4699 117.7375 60.2130 38.8662 175.6583 61 S 4.5518 9.0944 121.8374 60.7352 64.0004 174.2707 62 T 4.8250 7.4538 114.1562 62.3137 73.1863 171.8091 63 Y 5.0875 8.6083 121.2114 56.7337 40.1389 175.3603 64 T 4.7561 9.2487 120.6963 61.7375 72.5236 174.8666 65 V 3.9231 8.2435 117.4492 61.5942 32.5353 175.4916 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 6 N 8.28 4.67 0.00 2.79 2.85 0.00 0.00 7.08 6.98 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 7 I 7.78 3.44 1.83 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 1.49 -0.01 0.86 0.00 0.00 8 Q 8.70 3.78 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.91 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 9 D 7.90 4.17 0.00 2.69 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.92 3.83 0.00 1.84 1.73 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.66 7.81 11 A 7.59 3.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.24 3.33 0.00 0.70 0.15 0.42 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.07 4.09 0.00 2.23 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 2.37 0.00 14 N 7.85 4.23 0.00 2.77 2.62 0.00 0.00 7.19 7.87 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 15 F 7.88 4.47 0.00 3.12 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 16 K 8.63 4.31 0.00 2.04 1.95 0.00 1.78 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.50 1.52 7.81 17 A 8.30 4.06 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 18 N 8.06 4.68 0.00 2.89 2.89 0.00 0.00 7.20 7.78 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 19 Q 7.85 3.43 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 20 T 7.78 4.08 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 1.16 0.00 0.00 21 E 8.76 4.21 0.00 1.92 1.84 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 2.25 2.31 0.00 22 V 8.79 4.30 1.90 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 0.85 0.00 0.00 0.20 0.00 0.00 23 T 8.79 4.71 4.29 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 0.84 0.00 0.00 24 V 8.67 4.38 1.75 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 0.20 0.00 0.00 0.87 0.00 0.00 25 F 9.01 4.82 0.00 2.79 2.90 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 26 F 9.16 4.93 0.00 3.20 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 27 L 9.18 4.30 0.00 1.74 1.82 1.03 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.34 4.64 0.00 2.88 2.98 0.00 0.00 6.24 7.00 0.00 0.00 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 G 8.53 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.55 4.53 0.00 2.98 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 31 Q 6.93 4.54 0.00 1.08 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.47 0.00 0.00 0.00 0.00 0.00 1.72 1.81 0.00 32 M 8.51 4.45 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 33 K 8.43 4.79 0.00 1.67 1.59 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.74 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.34 7.81 34 G 8.55 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.32 4.99 2.09 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 1.02 0.00 0.00 0.96 0.00 0.00 36 I 8.39 4.50 1.99 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 1.32 0.78 1.09 0.00 0.00 37 E 9.23 4.39 0.00 1.97 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 2.29 2.31 0.00 38 E 7.89 4.72 0.00 2.04 1.95 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 2.21 2.24 0.00 39 Y 7.44 5.12 0.00 3.18 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.82 4.60 0.00 2.68 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 41 K 8.66 3.99 0.00 0.94 1.34 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.75 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.28 1.20 7.81 42 Y 8.73 4.99 0.00 3.12 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 43 V 7.97 5.16 2.09 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 0.65 0.00 0.00 1.02 0.00 0.00 44 V 8.84 4.88 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 0.98 0.00 0.00 1.15 0.00 0.00 45 S 9.30 5.21 0.00 3.94 3.77 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 46 L 9.00 5.23 0.00 1.83 1.55 0.99 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 47 N 9.28 5.28 0.00 2.69 2.75 0.00 0.00 5.95 7.13 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 48 S 9.21 4.66 0.00 3.85 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 9.85 3.36 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.64 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 50 G 8.38 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 51 K 7.96 4.65 0.00 1.93 1.53 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.36 7.81 52 Q 8.32 4.86 0.00 1.90 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.72 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 53 H 8.83 4.82 0.00 3.15 3.25 0.00 5.60 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.72 4.85 0.00 1.60 1.52 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.80 4.62 2.06 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 1.54 0.79 1.08 0.00 0.00 56 Y 8.53 4.64 0.00 2.92 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.46 4.03 0.00 1.96 2.00 0.00 1.99 0.00 0.00 1.92 0.00 0.00 3.07 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.65 1.68 7.81 58 H 8.43 4.29 0.00 3.23 3.50 0.00 5.53 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.42 4.63 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.47 4.44 1.84 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.73 0.33 0.00 0.00 61 S 9.09 4.55 0.00 3.88 3.87 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 62 T 7.45 4.82 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 1.15 0.00 0.00 63 Y 8.61 5.09 0.00 2.98 2.86 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.25 4.76 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 1.24 0.00 0.00 65 V 8.24 3.92 2.03 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 0.24 0.00 0.00 1.02 0.00 0.00