NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4390 8.3344 116.7970 58.7776 64.0574 173.3555 2 S 4.4500 8.6756 118.1228 58.1196 62.9559 172.9239 3 N 5.0088 7.9414 115.9440 51.8490 43.6968 172.7706 4 L 4.4286 8.7110 123.4024 55.1055 41.4872 179.3402 5 T 3.2516 9.1999 111.5533 61.8370 69.1567 173.8619 6 E 4.1122 8.6680 114.4197 59.8747 29.1150 179.4156 7 E 3.8873 8.3916 120.1930 59.0760 29.7603 178.8143 8 Q 3.6291 7.7309 117.2259 59.5143 28.9058 177.6199 9 I 4.1256 8.5465 122.1358 64.0977 37.0562 177.7426 10 A 4.0267 8.4150 121.0767 55.7674 18.4048 179.5594 11 E 3.8801 7.9070 116.1995 59.4833 29.1017 179.7480 12 F 4.8654 8.6001 118.0263 60.7860 39.0829 177.4511 13 K 3.8330 9.2550 118.6833 59.9321 31.6575 178.7454 14 E 3.9299 7.8487 116.5214 59.4207 29.8248 179.2110 15 A 3.7887 7.9568 120.0678 55.1778 18.4338 178.8485 16 F 3.4003 9.3475 119.5294 61.5739 39.2091 176.9176 17 A 3.6588 8.1806 119.7426 55.3126 17.9630 179.0070 18 L 3.6932 6.9551 116.5098 58.5234 41.9884 179.1686 19 F 4.6440 6.9702 116.2258 59.5094 39.0258 175.5144 20 D 4.3679 6.7098 118.3616 54.2021 40.9960 175.6666 21 K 4.3991 8.5064 125.3220 56.6757 32.0151 177.1019 22 D 4.7621 9.3473 118.9087 52.8635 42.8380 176.0350 23 N 4.2931 8.3491 115.0687 54.4825 35.6223 174.1589 24 N 4.8071 8.5975 114.2892 53.3226 38.4957 176.4684 25 G 4.3464 8.3893 105.1889 46.3076 0.0000 173.4847 26 S 5.2722 8.1655 111.1965 56.6213 66.0890 173.2691 27 I 4.8378 9.0636 124.8866 60.0138 41.0349 175.5970 28 S 5.1658 9.1800 123.0862 56.5962 65.8353 174.3915 29 S 4.0134 8.8534 113.4748 62.1564 61.9649 176.1083 30 S 4.0591 8.0074 114.8455 61.9302 62.0035 175.3668 31 E 3.8251 8.3276 118.4686 60.5444 28.9823 179.1990 32 L 4.0140 8.1890 118.0100 57.3992 41.8102 179.5630 33 A 4.0670 7.8350 121.3419 54.8648 18.0031 179.2880 34 T 4.0200 8.5615 107.9157 63.9104 68.6054 176.6344 35 V 3.4659 7.3982 120.1250 65.1140 31.9455 176.2116 36 M 4.6317 7.9160 115.7101 55.1709 32.2884 177.3235 37 R 3.9503 7.8675 118.6386 59.8777 30.1911 178.1542 38 S 4.3390 7.4376 111.0817 61.0346 62.3562 175.7985 39 L 4.2004 7.0344 121.6306 57.3289 42.7251 175.6304 40 G 3.1523 6.3217 105.0865 44.8578 0.0000 172.3259 41 L 4.4104 7.3200 119.6679 55.7836 47.3542 175.7373 42 S 3.6261 8.1130 109.8008 58.6285 60.2043 169.3555 43 P 4.4797 0.0000 0.0000 62.6002 32.7800 177.3712 44 S 4.7080 8.2183 115.5651 56.9021 66.0140 175.4562 45 E 3.8134 8.4776 121.6441 59.8158 29.2880 179.0091 46 A 3.9556 8.1560 121.5741 55.3068 18.4406 179.4086 47 E 3.9735 8.0564 115.9002 59.6918 29.7002 178.9357 48 V 3.5719 8.2891 118.9825 65.6927 31.4569 177.2354 49 N 4.7772 8.9295 118.1728 56.1402 38.8058 176.7241 50 D 4.4466 7.9070 119.7031 57.3613 40.4575 178.5612 51 L 3.8867 7.6767 119.9292 58.5656 41.9346 178.6248 52 M 4.0297 7.5635 116.1633 58.5412 32.3185 177.5686 53 N 4.4275 8.8506 117.9281 56.9129 39.0863 176.6323 54 E 4.0253 8.4561 118.8758 59.1050 29.6161 178.6524 55 I 4.5249 7.1273 116.1442 60.6571 38.9381 176.3107 56 D 4.7212 8.1875 119.9482 54.3626 39.4370 176.4776 57 V 3.4262 8.4232 119.6568 63.4445 32.0338 177.4835 58 D 4.4308 8.1538 117.7734 53.1902 40.8092 176.0502 59 G 3.6843 7.9134 106.1434 46.2497 0.0000 172.8297 60 N 4.6394 8.5047 109.1825 52.8964 37.9131 175.6499 61 H 4.2489 9.3596 113.0803 56.7260 26.0584 173.7748 62 Q 4.7749 7.7067 115.9529 55.9446 31.5581 173.0257 63 I 4.9782 8.6107 112.7893 59.4343 41.5862 174.4876 64 E 4.8723 8.8991 122.4223 54.1911 32.0802 175.5877 65 F 2.9373 8.4569 120.0195 61.6491 38.9302 177.0752 66 S 3.4949 7.7607 111.0554 61.4379 62.6017 176.7300 67 E 3.8580 7.9370 120.9684 59.4164 29.1821 179.0345 68 F 4.3545 8.6083 120.9245 61.3825 39.0348 177.1588 69 L 2.8505 7.0071 117.8974 56.7974 41.0503 179.1475 70 A 3.7686 7.2875 120.1968 54.9231 18.4052 178.9792 71 L 4.0673 7.4862 116.8456 57.1462 42.6301 178.0199 72 M 3.8038 8.2882 116.7510 54.4925 32.3166 176.0305 73 S 3.4420 5.8100 111.7101 59.3121 63.2764 172.7466 74 R 3.8221 8.0768 119.5788 57.1962 28.4441 176.3454 75 Q 4.7591 8.5146 118.4395 57.8447 34.5778 174.2702 76 L 4.6474 7.3333 115.3668 53.8783 44.9944 176.4407 77 K 4.2013 7.7683 124.1431 57.2542 32.7216 176.3571 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 S 8.33 4.44 0.00 3.88 3.92 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 2 S 8.68 4.45 0.00 3.86 3.79 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 0.00 0.00 0.00 3 N 7.94 5.01 0.00 2.68 2.68 0.00 0.00 6.86 7.85 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 4 L 8.71 4.43 0.00 2.05 1.27 1.02 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 5 T 9.20 3.25 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 1.23 0.00 0.00 6 E 8.67 4.11 0.00 2.25 2.32 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 2.32 2.37 0.00 7 E 8.39 3.89 0.00 2.26 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 2.29 2.33 0.00 8 Q 7.73 3.63 0.00 2.43 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.66 0.00 0.00 0.00 0.00 0.00 2.77 2.95 0.00 9 I 8.55 4.13 2.15 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.01 1.22 0.00 0.00 10 A 8.42 4.03 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 11 E 7.91 3.88 0.00 1.86 1.71 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 0.00 2.24 2.47 0.00 12 F 8.60 4.87 0.00 3.60 3.25 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 0.00 13 K 9.25 3.83 0.00 1.94 1.64 0.00 1.54 0.00 0.00 1.52 0.00 0.00 2.54 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.30 1.66 7.81 14 E 7.85 3.93 0.00 2.05 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 2.33 2.33 0.00 15 A 7.96 3.79 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 16 F 9.35 3.40 0.00 3.55 3.61 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 0.00 0.00 0.00 0.00 17 A 8.18 3.66 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 18 L 6.96 3.69 0.00 1.38 1.15 0.78 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 19 F 6.97 4.64 0.00 2.83 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 20 D 6.71 4.37 0.00 2.11 2.24 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 21 K 8.51 4.40 0.00 1.80 1.79 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.53 7.81 22 D 9.35 4.76 0.00 2.63 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.35 4.29 0.00 2.92 2.90 0.00 0.00 7.13 6.90 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 24 N 8.60 4.81 0.00 2.85 2.85 0.00 0.00 6.89 7.57 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 25 G 8.39 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.17 5.27 0.00 3.99 3.94 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 27 I 9.06 4.84 2.12 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.27 0.89 0.00 0.00 28 S 9.18 5.17 0.00 3.72 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 29 S 8.85 4.01 0.00 3.88 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 30 S 8.01 4.06 0.00 3.92 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 31 E 8.33 3.83 0.00 2.16 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 2.31 2.45 0.00 32 L 8.19 4.01 0.00 1.78 1.59 0.84 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.83 4.07 1.39 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 0.00 0.00 0.00 34 T 8.56 4.02 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 1.26 0.00 0.00 35 V 7.40 3.47 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.13 0.00 0.00 36 M 7.92 4.63 0.00 2.10 1.95 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 2.48 2.49 0.00 37 R 7.87 3.95 0.00 2.08 1.90 0.00 3.23 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 38 S 7.44 4.34 0.00 3.88 3.89 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 39 L 7.03 4.20 0.00 1.92 1.72 0.93 0.91 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 40 G 6.32 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 0.00 0.00 0.00 41 L 7.32 4.41 0.00 1.53 1.74 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.11 3.63 0.00 3.96 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 43 P 0.00 4.48 0.00 2.20 2.02 0.00 3.79 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 44 S 8.22 4.71 0.00 3.87 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 45 E 8.48 3.81 0.00 2.17 2.21 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 0.00 2.36 2.42 0.00 46 A 8.16 3.96 1.33 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 47 E 8.06 3.97 0.00 2.06 1.99 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 2.38 2.29 0.00 48 V 8.29 3.57 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.93 0.00 0.00 49 N 8.93 4.78 0.00 2.76 3.06 0.00 0.00 6.88 8.66 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 50 D 7.91 4.45 0.00 2.93 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.68 3.89 0.00 1.97 1.57 0.91 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 52 M 7.56 4.03 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.73 0.00 53 N 8.85 4.43 0.00 2.87 3.00 0.00 0.00 7.13 6.03 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 54 E 8.46 4.03 0.00 2.19 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 2.35 2.52 0.00 55 I 7.13 4.52 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.73 1.01 0.00 0.00 56 D 8.19 4.72 0.00 2.98 2.60 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 0.00 0.00 0.00 0.00 57 V 8.42 3.43 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 0.86 0.00 0.00 0.98 0.00 0.00 58 D 8.15 4.43 0.00 2.77 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 59 G 7.91 3.68 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 0.00 0.00 0.00 60 N 8.50 4.64 0.00 2.73 2.87 0.00 0.00 6.90 7.48 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 61 H 9.36 4.25 0.00 3.41 3.47 0.00 5.65 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 7.71 4.77 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.71 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 63 I 8.61 4.98 2.05 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.26 0.99 0.00 0.00 64 E 8.90 4.87 0.00 1.96 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 2.40 2.20 0.00 65 F 8.46 2.94 0.00 1.77 2.64 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 66 S 7.76 3.49 0.00 3.86 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 67 E 7.94 3.86 0.00 2.40 2.18 0.00 0.00 0.00 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 2.31 0.00 68 F 8.61 4.35 0.00 3.33 3.29 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 69 L 7.01 2.85 0.00 1.19 1.22 0.36 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 70 A 7.29 3.77 1.25 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 0.00 0.00 0.00 71 L 7.49 4.07 0.00 1.61 1.67 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 72 M 8.29 3.80 0.00 0.80 1.18 0.00 0.00 0.00 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 73 S 5.81 3.44 0.00 3.75 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 74 R 8.08 3.82 0.00 2.04 1.86 0.00 3.66 0.00 0.00 3.34 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.94 0.00 75 Q 8.51 4.76 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.92 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 76 L 7.33 4.65 0.00 1.61 1.55 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.77 4.20 0.00 1.81 1.72 0.00 1.61 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.41 7.81