NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 A 4.0019 8.2649 123.5664 51.1158 20.7740 177.0477 13 F 4.5210 7.7399 120.0664 53.8175 41.3239 172.6752 14 L 4.6626 8.9226 125.9047 54.1155 44.0497 175.6409 15 S 4.4440 8.6146 117.1955 58.1609 63.1827 173.2840 16 E 4.4223 8.6815 126.4355 57.7735 30.9880 177.7535 17 E 3.9320 8.2278 118.1097 59.6811 30.0236 179.0710 18 M 3.7704 7.9906 116.3882 58.1775 31.3281 178.3823 19 I 3.9340 7.7735 120.1714 64.2885 37.4844 178.0386 20 A 4.0960 7.9905 121.4952 55.1613 18.1104 179.3553 21 E 3.8985 7.9483 118.0356 59.2428 29.6812 178.9444 22 F 4.5867 7.9325 117.9104 60.7568 39.0859 177.5065 23 K 3.8375 8.6054 118.9991 59.3530 31.7824 178.6326 24 A 4.0080 8.1632 120.7337 55.2481 18.4026 179.5354 25 A 4.1353 8.0630 118.9544 55.1238 18.2169 179.5377 26 F 4.0255 8.2979 118.4610 61.7374 39.6233 176.6397 27 D 4.3928 8.1580 116.2858 57.3008 41.0097 177.6879 28 M 3.9917 7.6531 118.1577 57.9155 33.5955 177.7240 29 F 4.5812 7.6514 118.2840 55.1128 36.3251 175.4807 30 D 4.4078 7.2125 117.7159 52.4188 41.2011 176.6555 31 A 4.2093 8.2686 126.5170 54.5762 19.5112 177.9323 32 D 4.3807 7.6855 113.9067 54.3348 41.3537 177.7484 33 G 4.0777 6.4961 115.8635 45.5589 0.0000 173.2543 34 G 4.0807 7.6707 109.5825 41.1065 0.0000 170.4287 35 G 4.0830 7.4692 119.4480 46.0025 0.0000 170.4009 36 D 5.5284 7.4933 120.7497 51.6639 44.9393 174.5729 37 I 4.5722 7.9982 115.1408 58.6786 40.8156 175.1184 38 S 4.8475 8.5555 119.2053 58.4867 63.7315 176.0542 39 T 3.8986 8.5532 111.2624 65.0311 68.7432 176.6445 40 K 4.1084 8.0637 121.9273 58.8788 32.0796 179.0143 41 E 3.8651 8.1439 118.1330 58.5450 29.3064 178.8993 42 L 4.2287 7.7184 120.7268 58.2639 42.3484 179.1193 43 G 3.6446 8.0865 105.0946 47.9352 0.0000 175.1556 44 T 3.6518 7.5108 115.4881 65.0464 67.3983 176.4423 45 V 3.7233 7.5165 114.0677 64.7777 31.4727 178.2828 46 M 4.1014 7.9422 117.8424 58.6589 31.6045 179.0472 47 R 3.9526 7.6195 116.2364 59.4846 30.3492 178.3362 48 M 4.2377 7.6691 116.1012 59.5285 32.2989 177.4835 49 L 4.3808 8.2141 118.6077 53.4159 43.1326 177.6268 50 G 5.1269 7.2457 122.5282 44.9033 0.0000 170.7469 51 Q 4.3488 7.3226 117.1915 55.4072 32.3938 172.9367 52 N 4.5129 8.8945 124.1941 51.8842 37.9011 173.6845 53 P 4.6937 0.0000 0.0000 61.2867 30.4358 176.2079 54 T 4.2842 7.8820 121.2532 61.2062 69.9771 174.4637 55 K 3.9008 8.4657 123.4417 60.2038 32.4441 178.7534 56 E 3.9035 8.0738 120.1450 58.6544 29.6799 178.0735 57 E 3.8552 8.0787 118.7912 59.2897 29.9625 178.3965 58 L 4.0547 7.9552 118.8659 57.8953 41.7444 178.8719 59 D 4.3061 7.9152 116.9800 57.6454 41.3169 178.3623 60 A 4.0403 7.9331 120.7530 54.9372 18.2509 179.7577 61 I 3.8189 7.7063 118.4596 64.4828 37.2244 178.6537 62 I 3.9305 7.4166 111.4961 63.6979 37.9387 177.1528 63 E 4.0180 8.0307 121.0635 59.1216 29.6705 177.5834 64 E 3.8920 7.7178 116.9690 58.8179 29.8026 177.1470 65 V 3.9674 7.4880 123.9392 61.0367 30.8171 175.2873 66 D 4.5341 8.4876 126.8920 53.5294 39.7503 175.5560 67 E 4.5531 8.3737 119.3528 54.6105 30.8520 175.3457 68 D 4.6502 8.5213 124.7188 57.1126 42.9113 177.3430 69 G 3.8066 7.9290 102.4995 45.9486 0.0000 174.1444 70 S 4.4012 8.7507 116.0725 58.5782 63.7245 173.2339 71 G 4.2373 7.4885 110.5247 43.7428 0.0000 170.2658 72 T 4.6477 8.2841 113.0584 61.1246 71.4457 173.2160 73 I 4.4221 8.5462 128.9561 60.5843 39.7242 174.4164 74 D 5.6330 8.6047 127.4852 51.2738 42.0534 176.9699 75 F 4.0802 8.7630 122.1323 61.6821 38.9552 176.8729 76 E 3.9695 8.3718 118.7115 59.1408 29.2952 178.6352 77 E 3.9414 8.0472 116.9518 59.3903 29.7950 178.7077 78 F 3.9531 8.1573 121.2319 61.2209 39.4631 177.0012 79 L 3.4538 7.8203 119.6922 57.6136 41.6452 179.0677 80 V 3.4204 7.3528 118.7164 66.1932 31.5236 178.0158 81 M 4.0534 7.6344 116.3687 58.4395 30.6991 178.1436 82 M 3.6556 7.6702 119.3005 57.9234 32.0248 178.4360 83 V 3.5873 7.0403 117.5527 66.0333 31.8251 177.4718 84 R 3.9603 7.1869 114.9577 59.3339 29.5289 177.7172 85 Q 3.9422 7.2074 118.2056 57.6189 29.4190 176.3479 86 M 4.3140 7.7525 125.4286 53.7810 30.6307 176.2990 87 K 4.3075 8.2953 126.1361 56.9103 32.4034 176.1378 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 12 A 8.26 4.00 1.26 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 13 F 7.74 4.52 0.00 3.06 2.92 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 0.00 0.00 0.00 14 L 8.92 4.66 0.00 1.70 1.62 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.61 4.44 0.00 3.92 3.90 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 16 E 8.68 4.42 0.00 2.04 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 2.30 2.37 0.00 17 E 8.23 3.93 0.00 2.05 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 2.39 2.30 0.00 18 M 7.99 3.77 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.64 0.00 19 I 7.77 3.93 2.09 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 1.63 0.47 1.03 0.00 0.00 20 A 7.99 4.10 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 21 E 7.95 3.90 0.00 2.02 1.79 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 2.23 2.31 0.00 22 F 7.93 4.59 0.00 3.44 3.28 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 23 K 8.61 3.84 0.00 2.12 2.10 0.00 1.60 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.21 7.81 24 A 8.16 4.01 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.06 4.14 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 26 F 8.30 4.03 0.00 3.28 3.11 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 27 D 8.16 4.39 0.00 2.80 2.69 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 28 M 7.65 3.99 0.00 1.94 2.06 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 1.96 0.00 29 F 7.65 4.58 0.00 3.17 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 30 D 7.21 4.41 0.00 2.72 2.69 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 31 A 8.27 4.21 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 32 D 7.69 4.38 0.00 2.63 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 33 G 6.50 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 0.00 0.00 0.00 0.00 34 G 7.67 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 0.00 0.00 0.00 0.00 35 G 7.47 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 0.00 0.00 0.00 0.00 36 D 7.49 5.53 0.00 2.61 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.00 4.57 1.66 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 0.71 0.61 -0.22 0.00 0.00 38 S 8.56 4.85 0.00 3.89 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 39 T 8.55 3.90 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 1.34 0.00 0.00 40 K 8.06 4.11 0.00 1.80 1.87 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.52 7.81 41 E 8.14 3.87 0.00 2.10 1.93 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 2.37 2.34 0.00 42 L 7.72 4.23 0.00 1.83 1.84 1.03 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.09 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 0.00 0.00 0.00 44 T 7.51 3.65 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 0.74 0.00 0.00 45 V 7.52 3.72 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 1.12 0.00 0.00 1.39 0.00 0.00 46 M 7.94 4.10 0.00 2.20 2.28 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.57 0.00 47 R 7.62 3.95 0.00 1.97 2.00 0.00 3.14 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 48 M 7.67 4.24 0.00 2.30 2.23 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 2.75 2.71 0.00 49 L 8.21 4.38 0.00 1.85 1.72 0.77 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 50 G 7.25 5.13 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 0.00 51 Q 7.32 4.35 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.91 0.00 0.00 0.00 0.00 0.00 2.16 2.43 0.00 52 N 8.89 4.51 0.00 2.85 2.83 0.00 0.00 6.27 7.75 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 53 P 0.00 4.69 0.00 2.19 2.13 0.00 3.36 0.00 0.00 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.07 0.00 54 T 7.88 4.28 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 1.23 0.00 0.00 55 K 8.47 3.90 0.00 2.01 2.06 0.00 1.56 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.50 7.81 56 E 8.07 3.90 0.00 2.05 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 2.37 2.36 0.00 57 E 8.08 3.86 0.00 2.06 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 2.35 2.38 0.00 58 L 7.96 4.05 0.00 1.79 1.71 0.95 0.85 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 59 D 7.92 4.31 0.00 2.89 2.67 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 60 A 7.93 4.04 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 61 I 7.71 3.82 1.99 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 1.52 0.35 0.90 0.00 0.00 62 I 7.42 3.93 1.99 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.81 0.94 0.00 0.00 63 E 8.03 4.02 0.00 2.01 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 2.32 2.25 0.00 64 E 7.72 3.89 0.00 2.07 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 2.31 2.37 0.00 65 V 7.49 3.97 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 0.91 0.00 0.00 0.90 0.00 0.00 66 D 8.49 4.53 0.00 2.82 2.69 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 67 E 8.37 4.55 0.00 2.04 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 0.00 2.25 2.23 0.00 68 D 8.52 4.65 0.00 2.77 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 69 G 7.93 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 0.00 0.00 0.00 70 S 8.75 4.40 0.00 3.84 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 71 G 7.49 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 0.00 0.00 0.00 0.00 72 T 8.28 4.65 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 1.20 0.00 0.00 73 I 8.55 4.42 2.25 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 1.60 1.50 1.13 0.00 0.00 74 D 8.60 5.63 0.00 3.12 3.01 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 75 F 8.76 4.08 0.00 2.77 2.93 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 76 E 8.37 3.97 0.00 2.08 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 2.43 2.43 0.00 77 E 8.05 3.94 0.00 2.20 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 0.00 2.43 2.45 0.00 78 F 8.16 3.95 0.00 3.24 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 79 L 7.82 3.45 0.00 1.06 1.25 0.64 0.45 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 80 V 7.35 3.42 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 0.93 0.00 0.00 0.91 0.00 0.00 81 M 7.63 4.05 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.49 0.00 82 M 7.67 3.66 0.00 1.07 1.21 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.56 0.00 83 V 7.04 3.59 2.06 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 0.92 0.00 0.00 0.98 0.00 0.00 84 R 7.19 3.96 0.00 1.82 1.93 0.00 3.35 0.00 0.00 3.12 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 85 Q 7.21 3.94 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.06 0.00 0.00 0.00 0.00 0.00 2.33 2.26 0.00 86 M 7.75 4.31 0.00 2.33 2.17 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.45 0.00 87 K 8.30 4.31 0.00 1.81 1.74 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.55 7.81