NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3083 8.4444 120.2307 56.3162 31.2333 174.8399 3 S 4.6238 8.1253 114.9946 55.5546 65.1456 173.7094 4 F 4.0580 9.0011 131.2836 61.4220 39.6417 176.4798 5 L 3.8436 8.1139 119.2371 58.3121 42.0231 178.4881 6 L 3.9534 7.7940 119.8117 58.1175 41.9136 178.8380 7 S 4.4829 7.7740 114.9443 59.8734 63.1807 176.4874 8 K 3.9274 7.5167 121.9413 58.7157 31.7551 179.2639 9 V 3.6820 7.9473 119.0554 66.0276 31.4267 178.1943 10 S 4.0936 7.8929 113.3955 61.4688 62.7236 175.8832 11 F 4.0077 8.1192 124.6993 60.9003 39.0237 177.1879 12 V 3.4058 8.2576 117.8692 66.0477 31.2602 177.6077 13 I 3.7291 7.9629 119.8627 64.6088 37.0552 178.0663 14 K 3.7530 8.0917 120.0900 59.3160 31.8557 178.5740 15 K 3.6476 7.8625 120.0517 59.5503 32.2295 178.8752 16 I 3.6168 8.1740 120.3154 64.3090 37.0091 178.2485 17 R 3.8857 8.1146 119.7101 59.5080 29.7520 178.6186 18 L 3.9529 7.8616 118.5775 57.8141 41.5164 179.1687 19 E 4.0681 8.2045 117.4138 58.7047 29.3725 178.5667 20 K 4.4647 7.6527 115.9865 54.8318 32.4018 176.3359 21 G 4.0933 8.0366 107.1888 46.4325 0.0000 173.3907 22 M 4.3367 7.8850 118.5262 54.1527 32.9799 177.5210 23 T 4.1634 8.2209 113.6173 61.2570 71.1477 175.5536 24 Q 3.9175 8.5454 120.9280 59.2237 28.6768 178.7761 25 E 3.7251 8.1647 119.5123 59.5640 29.5366 178.5183 26 D 4.5704 8.2571 118.6643 57.4259 40.8454 178.5220 27 L 3.9686 8.1815 120.7857 57.9833 42.0750 179.0451 28 A 3.9582 8.2602 121.1963 55.1995 18.3901 178.9473 29 Y 4.3147 8.0115 115.6440 61.6085 37.8139 179.4277 30 K 4.1188 8.4720 118.2323 58.6152 32.2146 178.5519 31 S 4.5657 7.7586 111.1850 56.8320 64.7466 173.7701 32 N 4.1683 7.9056 118.8100 54.7684 36.2491 171.8091 33 L 4.7978 7.8552 115.8399 53.3872 46.2499 175.3042 34 D 4.8512 8.4459 117.6424 52.9334 43.0621 177.2749 35 R 3.8382 8.8037 126.5458 60.1848 29.8899 178.7025 36 T 4.0981 8.8793 109.3856 64.6880 68.6683 175.7985 37 Y 4.2220 8.3793 122.9300 60.8261 38.6865 177.9553 38 I 3.4450 7.6314 119.2836 64.1792 37.6170 177.7202 39 S 4.3906 8.4954 114.5600 61.6218 62.0777 176.4870 40 G 3.6661 7.9655 107.9888 48.0220 0.0000 175.4798 41 I 3.5908 7.5397 122.1812 64.1597 36.8679 178.2476 42 E 4.0512 7.9462 117.8941 58.0653 29.3815 178.0621 43 R 4.5177 7.7450 116.7484 55.6211 31.2578 175.8391 44 N 4.2134 8.0659 115.0863 54.5565 38.1717 174.6169 45 S 4.7151 8.2100 109.3859 58.1339 63.1838 173.9795 46 R 4.5961 7.5755 118.1309 54.8829 33.5713 174.6242 47 N 4.7755 8.6306 120.2440 51.6635 38.8862 173.6890 48 L 4.5280 7.9835 124.4774 54.3875 42.4848 176.8827 49 T 4.2216 8.2521 114.6080 61.5046 68.5357 175.3529 50 I 3.6879 8.5982 128.7650 64.8778 37.2381 178.3504 51 K 3.9126 8.1531 118.3797 59.8052 31.8774 179.3944 52 S 4.1907 8.5253 115.6882 61.4047 62.6936 176.2721 53 L 3.8268 7.8499 122.6315 58.2406 41.7252 178.5945 54 E 3.8270 8.2265 119.2037 59.1457 29.4506 178.7971 55 L 4.0546 7.7435 118.6635 57.5957 41.6377 179.4109 56 I 3.8671 7.6090 119.8944 64.2238 37.1362 178.2157 57 M 4.0466 8.1417 119.9320 58.3462 31.2935 178.9747 58 K 4.1562 8.1680 118.7333 59.0103 31.9028 179.7583 59 G 3.6463 7.5733 105.4179 47.6742 0.0000 175.7913 60 L 4.0606 8.2970 120.4792 55.1720 41.9542 176.8481 61 E 3.8562 7.7699 115.8915 57.6954 26.9735 174.5771 62 V 4.5275 7.6646 116.8458 59.1701 34.4145 176.2533 63 S 4.3528 8.4297 117.5658 58.1905 65.0527 174.7937 64 D 4.3899 8.8508 124.2324 57.8770 40.5571 179.4824 65 V 3.7706 7.9531 117.7960 66.4997 31.5796 178.4802 66 V 4.3705 7.6315 113.0547 63.4098 31.2851 178.5184 67 F 3.7596 8.1426 120.9701 61.3022 39.1571 177.2376 68 F 4.4042 8.4459 117.4562 60.2547 38.8543 177.5058 69 E 4.0231 8.5627 118.6623 59.9831 29.2373 179.4588 70 M 4.0386 7.9483 118.4746 58.1277 31.8851 178.5951 71 L 3.8245 7.7974 120.5883 58.0509 42.3836 179.1218 72 I 3.7347 8.1346 120.1015 64.2608 36.8589 178.2345 73 K 3.9265 7.6623 118.7254 59.5353 32.3949 178.1219 74 E 4.0698 8.4233 119.6839 59.3654 29.3751 178.6323 75 I 3.8354 7.7865 118.9547 64.4498 37.3070 177.6454 76 L 4.1940 7.5593 116.4795 55.1177 41.7217 176.9451 77 K 4.1447 7.8254 125.1443 56.4818 33.9794 175.4595 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 2 E 8.44 4.31 0.00 2.00 1.97 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 2.23 2.26 0.00 3 S 8.13 4.62 0.00 3.99 3.73 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 4 F 9.00 4.06 0.00 3.16 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 5 L 8.11 3.84 0.00 1.86 1.71 1.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.79 3.95 0.00 1.77 1.66 0.99 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 7 S 7.77 4.48 0.00 4.07 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 8 K 7.52 3.93 0.00 1.70 1.74 0.00 1.36 0.00 0.00 1.09 0.00 0.00 2.61 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.56 1.05 7.81 9 V 7.95 3.68 2.29 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 1.27 0.00 0.00 1.13 0.00 0.00 10 S 7.89 4.09 0.00 4.28 4.11 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 11 F 8.12 4.01 0.00 3.21 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 12 V 8.26 3.41 2.15 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 0.24 0.00 0.00 0.86 0.00 0.00 13 I 7.96 3.73 2.01 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 1.60 0.82 0.90 0.00 0.00 14 K 8.09 3.75 0.00 1.69 1.75 0.00 1.55 0.00 0.00 1.45 0.00 0.00 2.85 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.21 1.33 7.81 15 K 7.86 3.65 0.00 1.40 1.73 0.00 1.59 0.00 0.00 1.61 0.00 0.00 3.15 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.33 7.81 16 I 8.17 3.62 1.85 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.90 0.90 0.00 0.00 17 R 8.11 3.89 0.00 1.83 2.13 0.00 3.18 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 18 L 7.86 3.95 0.00 1.89 1.62 0.86 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.20 4.07 0.00 2.02 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 2.32 2.31 0.00 20 K 7.65 4.46 0.00 1.89 1.82 0.00 1.98 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.60 7.81 21 G 8.04 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 22 M 7.89 4.34 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.48 0.00 23 T 8.22 4.16 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 1.22 0.00 0.00 24 Q 8.55 3.92 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.89 0.00 0.00 0.00 0.00 0.00 2.54 2.40 0.00 25 E 8.16 3.73 0.00 1.99 1.97 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 2.14 2.19 0.00 26 D 8.26 4.57 0.00 2.92 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 27 L 8.18 3.97 0.00 1.74 1.79 0.92 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.26 3.96 1.29 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 0.00 0.00 29 Y 8.01 4.31 0.00 3.18 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 30 K 8.47 4.12 0.00 1.84 1.91 0.00 1.90 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.62 7.81 31 S 7.76 4.57 0.00 4.20 3.97 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 32 N 7.91 4.17 0.00 2.87 2.86 0.00 0.00 6.68 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 33 L 7.86 4.80 0.00 1.75 1.75 1.04 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.45 4.85 0.00 2.62 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.80 3.84 0.00 1.79 1.88 0.00 3.18 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 36 T 8.88 4.10 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 1.29 0.00 0.00 37 Y 8.38 4.22 0.00 2.92 3.19 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 38 I 7.63 3.44 1.93 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.90 0.84 0.00 0.00 39 S 8.50 4.39 0.00 3.93 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 40 G 7.97 3.67 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 0.00 0.00 0.00 41 I 7.54 3.59 1.81 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.27 0.80 0.00 0.00 42 E 7.95 4.05 0.00 2.15 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 2.28 2.41 0.00 43 R 7.75 4.52 0.00 1.74 1.92 0.00 3.41 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.75 0.00 44 N 8.07 4.21 0.00 2.95 2.83 0.00 0.00 6.97 8.48 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 45 S 8.21 4.72 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 46 R 7.58 4.60 0.00 1.67 1.81 0.00 2.97 0.00 0.00 3.44 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 47 N 8.63 4.78 0.00 2.64 2.74 0.00 0.00 7.03 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 48 L 7.98 4.53 0.00 1.82 1.70 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.25 4.22 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 1.26 0.00 0.00 50 I 8.60 3.69 1.89 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 1.66 0.74 0.94 0.00 0.00 51 K 8.15 3.91 0.00 1.80 1.88 0.00 1.67 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.55 7.81 52 S 8.53 4.19 0.00 4.05 4.06 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.85 3.83 0.00 1.67 1.70 0.77 0.20 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 54 E 8.23 3.83 0.00 2.20 2.05 0.00 0.00 0.00 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 2.32 0.00 55 L 7.74 4.05 0.00 1.98 1.72 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.61 3.87 1.93 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.61 0.87 0.00 0.00 57 M 8.14 4.05 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.31 0.00 58 K 8.17 4.16 0.00 1.96 1.86 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.50 7.81 59 G 7.57 3.65 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 0.00 0.00 0.00 0.00 60 L 8.30 4.06 0.00 1.74 1.78 1.00 0.94 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 61 E 7.77 3.86 0.00 2.18 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 0.00 2.24 2.24 0.00 62 V 7.66 4.53 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 0.91 0.00 0.00 0.98 0.00 0.00 63 S 8.43 4.35 0.00 4.11 4.06 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.85 4.39 0.00 2.92 3.04 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 65 V 7.95 3.77 2.15 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 1.21 0.00 0.00 1.01 0.00 0.00 66 V 7.63 4.37 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 0.98 0.00 0.00 0.94 0.00 0.00 67 F 8.14 3.76 0.00 3.03 2.81 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 68 F 8.45 4.40 0.00 3.25 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 69 E 8.56 4.02 0.00 2.28 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 0.00 2.37 2.43 0.00 70 M 7.95 4.04 0.00 1.87 2.03 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.47 0.00 71 L 7.80 3.82 0.00 1.81 1.89 1.24 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 72 I 8.13 3.73 2.08 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 1.47 1.11 0.95 0.00 0.00 73 K 7.66 3.93 0.00 1.79 2.00 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.46 7.81 74 E 8.42 4.07 0.00 2.29 2.01 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 2.55 2.30 0.00 75 I 7.79 3.84 2.16 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.74 1.09 0.00 0.00 76 L 7.56 4.19 0.00 1.82 1.73 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.83 4.14 0.00 1.81 2.13 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.28 1.30 7.81