NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4040 8.3049 120.3492 54.8497 34.1313 174.9398 2 E 4.4442 7.9010 116.6754 53.6559 31.3509 174.0984 3 L 4.2358 8.3265 127.0209 56.6984 43.7343 177.7488 4 S 4.5427 7.7524 112.4183 57.9996 64.1403 173.4751 5 A 3.6065 8.3928 130.5929 50.3096 17.5604 180.8342 6 I 2.9996 9.5274 116.3512 57.7886 38.1600 174.4230 7 G 4.3732 10.1488 115.3564 45.8514 0.0000 173.1081 8 E 4.7036 7.3263 115.6717 55.1070 33.3225 173.7329 9 Q 4.1172 7.6926 116.9838 54.8900 35.4924 171.2651 10 V 3.2358 7.3088 125.7671 62.3589 33.0819 171.1356 11 F 4.9221 8.4180 127.7561 56.6462 41.3980 173.1065 12 A 4.9594 9.0586 125.2874 51.3048 21.4607 175.8978 13 V 4.4643 8.5211 123.0136 61.5505 32.4203 175.2529 14 E 4.1833 9.3122 129.9585 57.7238 29.9639 177.2403 15 S 4.9267 7.4996 116.9783 58.0579 65.6374 176.6937 16 I 3.9698 7.8847 122.8613 61.8190 37.5748 175.8211 17 R 4.5915 8.6839 121.2046 57.3956 32.4276 175.8288 18 K 5.1582 7.3973 115.2807 53.8717 37.5115 175.2711 19 K 5.0657 8.8405 122.0272 55.6261 34.7483 175.0670 20 R 4.6191 9.2045 124.6821 54.2695 32.1288 174.6912 21 V 4.6830 8.3229 122.0474 61.0422 34.6361 175.2241 22 R 4.1978 8.3261 125.4376 55.0445 31.0736 175.6234 23 K 3.7571 9.3654 122.6061 56.4812 30.1418 175.3675 24 G 3.3350 8.1139 109.2697 45.3106 0.0000 174.1639 25 K 4.1035 8.3084 121.3400 56.3337 32.5427 176.6815 26 V 4.0942 8.1839 125.8444 62.6001 33.0478 174.5952 27 E 5.0537 8.7291 124.8802 54.8841 34.5517 174.1289 28 Y 4.9546 8.6261 119.6430 56.0945 41.6561 175.0831 29 L 3.7221 7.7210 127.8157 54.7347 40.9030 175.0441 30 V 3.6789 8.2861 118.4353 60.3112 33.1958 175.0812 31 K 4.3509 8.4559 127.5527 54.5177 32.7021 175.5875 32 W 4.3730 8.4494 128.0240 56.7955 29.3829 175.7151 33 K 3.6894 9.5176 125.8697 60.0724 31.5106 177.9742 34 G 3.8021 8.0487 107.4511 45.4317 0.0000 172.7863 35 W 5.0474 8.1358 118.0890 53.7700 33.2641 173.6899 36 P 4.6606 0.0000 0.0000 61.7772 31.7787 175.9576 37 P 4.6953 0.0000 0.0000 64.4663 31.4708 179.0874 38 K 4.0220 8.1966 117.0625 59.0511 32.0945 177.1850 39 Y 4.4853 8.2300 114.4211 57.6935 38.3458 175.8065 40 S 4.6735 7.7159 117.2917 59.5531 64.2624 173.4893 41 T 4.8979 8.1684 110.5909 60.0505 72.7389 173.3096 42 W 4.9139 8.8992 123.0179 55.9038 29.6200 175.3103 43 E 4.6611 8.8036 125.7947 53.7183 30.9208 174.2856 44 P 4.7793 0.0000 0.0000 62.9664 32.2454 177.0003 45 E 4.2721 8.7098 123.4715 58.9627 29.3331 177.8290 46 E 4.3155 8.3046 117.4849 58.9959 30.2535 177.2861 47 H 4.2948 8.3693 115.5276 58.0615 29.1232 174.4596 48 I 3.7220 7.9125 120.1465 61.6544 36.2419 176.1277 49 L 4.2454 8.4147 123.7307 55.5879 41.4741 177.1159 50 D 4.5729 7.9700 119.0736 51.1132 42.8764 174.0849 51 P 4.1785 0.0000 0.0000 64.9433 31.3476 178.7626 52 R 3.8647 7.9843 117.1756 58.9596 29.9433 178.7425 53 L 3.8917 8.2266 118.9818 57.7300 41.6149 179.4680 54 V 2.9999 6.9747 117.6277 66.0127 31.4483 177.2570 55 M 3.9374 8.6588 117.9201 59.0319 32.1645 177.9978 56 A 4.3909 8.0330 121.7685 54.6226 18.3051 178.9613 57 Y 3.9019 7.8864 117.8457 61.0097 39.0576 178.0132 58 E 4.1636 8.4914 118.1695 57.9721 29.4037 178.7358 59 E 4.3000 7.9012 121.9795 58.4419 29.7223 178.6697 60 K 3.9305 7.7740 118.0889 59.2813 32.1197 179.2354 61 E 3.8219 7.7053 118.7248 59.3871 29.2916 179.0135 62 E 3.9777 8.1435 117.5974 59.6329 29.1140 179.1171 63 R 3.8556 7.5417 118.2100 59.2620 30.2061 177.3493 64 D 4.4850 7.6704 115.8308 56.5666 41.6022 177.9804 65 R 4.1876 8.4876 118.8315 58.3467 30.5954 175.3262 66 A 4.1435 7.4221 120.9250 52.8220 17.7199 176.3512 67 S 4.5503 8.5262 114.0256 60.3035 67.4375 175.0042 68 G 4.2615 7.7877 105.3351 44.0591 0.0000 170.5139 69 Y 4.5934 8.1853 120.3893 55.6868 40.7538 175.1323 70 R 4.2644 7.2204 125.2003 56.1824 32.8164 174.1623 71 K 4.0156 8.5328 117.8863 56.7481 32.2124 177.0060 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 4.40 0.00 1.97 2.15 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.63 0.00 2 E 7.90 4.44 0.00 2.05 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 2.22 2.36 0.00 3 L 8.33 4.24 0.00 1.60 1.66 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 4 S 7.75 4.54 0.00 3.97 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 5 A 8.39 3.61 1.30 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 0.00 0.00 6 I 9.53 3.00 1.86 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 1.34 0.64 0.98 0.00 0.00 7 G 10.15 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 0.00 0.00 0.00 0.00 8 E 7.33 4.70 0.00 1.86 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 0.00 2.19 2.30 0.00 9 Q 7.69 4.12 0.00 1.55 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 5.99 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 10 V 7.31 3.24 1.94 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 0.71 0.00 0.00 0.86 0.00 0.00 11 F 8.42 4.92 0.00 2.75 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.06 4.96 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 0.00 0.00 0.00 0.00 0.00 13 V 8.52 4.46 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 0.39 0.00 0.00 0.91 0.00 0.00 14 E 9.31 4.18 0.00 2.16 2.14 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 2.35 2.47 0.00 15 S 7.50 4.93 0.00 3.96 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.88 3.97 1.95 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.34 0.47 0.00 0.00 17 R 8.68 4.59 0.00 1.72 1.81 0.00 3.01 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 18 K 7.40 5.16 0.00 1.33 1.96 0.00 1.76 0.00 0.00 1.92 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.21 7.81 19 K 8.84 5.07 0.00 1.48 1.93 0.00 2.10 0.00 0.00 2.00 0.00 0.00 2.76 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.26 1.01 7.81 20 R 9.20 4.62 0.00 1.54 1.49 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.06 0.00 21 V 8.32 4.68 2.02 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 0.71 0.00 0.00 0.84 0.00 0.00 22 R 8.33 4.20 0.00 1.69 1.66 0.00 3.19 0.00 0.00 3.09 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.48 0.00 23 K 9.37 3.76 0.00 1.91 1.88 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.38 7.81 24 G 8.11 3.33 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 0.00 25 K 8.31 4.10 0.00 1.66 1.75 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.47 7.81 26 V 8.18 4.09 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 0.37 0.00 0.00 0.95 0.00 0.00 27 E 8.73 5.05 0.00 1.89 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 2.18 2.15 0.00 28 Y 8.63 4.95 0.00 2.91 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 29 L 7.72 3.72 0.00 0.27 0.94 0.60 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.29 3.68 1.14 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 0.57 0.00 0.00 0.32 0.00 0.00 31 K 8.46 4.35 0.00 1.73 1.80 0.00 1.84 0.00 0.00 1.67 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.42 7.81 32 W 8.45 4.37 0.00 3.39 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 33 K 9.52 3.69 0.00 2.05 1.98 0.00 1.57 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.53 7.81 34 G 8.05 3.80 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 0.00 0.00 0.00 35 W 8.14 5.05 0.00 3.39 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 36 P 0.00 4.66 0.00 2.47 2.11 0.00 4.08 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.21 0.00 37 P 0.00 4.70 0.00 2.21 2.12 0.00 3.96 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.12 0.00 38 K 8.20 4.02 0.00 1.76 1.69 0.00 1.67 0.00 0.00 1.79 0.00 0.00 3.26 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.53 7.81 39 Y 8.23 4.49 0.00 3.28 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 S 7.72 4.67 0.00 3.73 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 41 T 8.17 4.90 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 1.53 0.00 0.00 42 W 8.90 4.91 0.00 3.19 3.17 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 43 E 8.80 4.66 0.00 1.93 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 2.31 2.54 0.00 44 P 0.00 4.78 0.00 2.27 2.05 0.00 3.52 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 45 E 8.71 4.27 0.00 2.01 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 2.64 2.67 0.00 46 E 8.30 4.32 0.00 2.01 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 2.30 2.35 0.00 47 H 8.37 4.29 0.00 3.29 3.43 0.00 5.87 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.91 3.72 1.90 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 1.84 1.85 0.87 0.00 0.00 49 L 8.41 4.25 0.00 1.67 1.73 0.95 1.03 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 50 D 7.97 4.57 0.00 2.65 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.18 0.00 2.19 2.08 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 52 R 7.98 3.86 0.00 2.19 1.95 0.00 3.28 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 53 L 8.23 3.89 0.00 1.77 1.52 0.84 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 54 V 6.97 3.00 2.14 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 0.96 0.00 0.00 0.55 0.00 0.00 55 M 8.66 3.94 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.63 0.00 56 A 8.03 4.39 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.89 3.90 0.00 3.06 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 58 E 8.49 4.16 0.00 2.11 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 0.00 2.60 2.74 0.00 59 E 7.90 4.30 0.00 2.04 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 0.00 2.38 2.17 0.00 60 K 7.77 3.93 0.00 1.66 1.73 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.51 7.81 61 E 7.71 3.82 0.00 1.83 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 1.94 2.17 0.00 62 E 8.14 3.98 0.00 2.20 2.30 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 2.47 2.33 0.00 63 R 7.54 3.86 0.00 1.98 2.06 0.00 3.23 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 64 D 7.67 4.49 0.00 2.66 2.59 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 65 R 8.49 4.19 0.00 1.84 2.02 0.00 3.41 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 66 A 7.42 4.14 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.53 4.55 0.00 3.81 3.84 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 68 G 7.79 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 0.00 0.00 0.00 0.00 69 Y 8.19 4.59 0.00 2.91 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 70 R 7.22 4.26 0.00 1.70 1.68 0.00 3.26 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.56 0.00 71 K 8.53 4.02 0.00 1.67 1.61 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.32 1.43 7.81