NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 I 3.8999 8.0244 121.4517 62.0666 38.3667 172.6640 10 D 4.1045 8.6698 128.7205 52.1433 38.6954 170.3718 11 P 4.9411 0.0000 0.0000 62.5603 33.3612 176.8736 12 R 4.1242 7.7393 120.0029 56.6250 31.4903 174.8275 13 I 3.6583 8.1191 119.2238 62.2892 36.9944 174.8892 14 H 4.7064 7.7319 120.7917 54.2324 29.9667 171.5436 15 Y 3.9437 8.1611 124.6168 57.9165 38.5812 170.6149 16 L 3.9438 8.1512 120.6532 56.7553 43.1038 178.0781 17 V 3.7136 7.6338 118.7379 60.6541 31.4993 174.1377 18 P 4.6073 0.0000 0.0000 62.2922 33.2188 175.0752 19 K 4.5783 8.1256 118.6642 55.5002 33.5933 175.7862 20 H 5.3516 8.9205 121.9032 54.1641 31.1621 173.9381 21 E 4.7678 9.2454 121.5058 54.4050 33.3194 175.2941 22 V 4.0942 8.5216 124.1624 62.8045 32.4534 175.0663 23 L 4.6549 7.8739 127.4846 53.5580 43.0502 176.9470 24 S 4.3722 8.5821 119.0536 58.1056 63.5557 175.2354 25 I 3.6934 8.6149 125.0259 64.8824 36.2705 178.3828 26 D 4.3811 8.0543 119.1403 57.4212 40.8876 178.3386 27 E 3.9207 8.1680 116.8450 58.6790 30.0094 178.2370 28 A 4.1038 8.3733 121.8470 54.4690 18.3721 179.0362 29 Y 3.9326 7.7530 118.3446 60.8139 38.5354 177.8704 30 K 3.8898 7.7638 120.0446 59.0840 32.1032 179.0061 31 I 3.6649 7.2572 119.0460 64.3256 37.1103 178.2188 32 L 3.8435 7.4424 119.5007 57.6159 41.1461 179.6093 33 K 3.8208 7.4186 118.7743 59.3337 32.1532 178.5331 34 E 4.0585 7.4837 116.9377 59.2333 29.4706 178.8677 35 L 4.1887 8.1344 117.9163 54.6843 42.3390 176.9364 36 G 3.9101 7.9621 106.8996 46.5532 0.0000 173.2428 37 I 4.7407 7.2851 109.5064 58.3364 41.2804 175.3450 38 R 4.1685 8.8130 121.1038 55.3142 30.4281 176.3453 39 P 4.4815 0.0000 0.0000 64.8606 31.5119 177.3764 40 E 3.9813 7.8427 117.8866 58.6258 29.5933 176.6939 41 Q 4.4428 7.7179 117.5790 56.1057 28.9618 175.3450 42 L 4.8528 7.4911 116.2080 51.9129 44.9951 175.8253 43 P 3.7107 0.0000 0.0000 63.6977 31.4350 175.4174 44 W 4.3041 7.9238 119.6516 56.5117 29.4887 173.7207 45 I 4.7467 8.1179 120.6090 59.3474 40.2631 175.4587 46 R 4.2455 8.5605 123.5079 55.9793 30.6382 177.7363 47 A 4.0076 8.4207 123.6621 55.2918 18.6544 179.5108 48 S 4.2142 7.9535 110.9944 60.9488 63.5985 174.9794 49 D 4.3616 7.6413 120.2870 54.1323 41.9820 175.2165 50 P 4.2540 0.0000 0.0000 66.2395 30.9661 178.8314 51 V 3.4765 7.6811 117.0410 65.8418 31.3415 177.8050 52 A 4.2469 7.9234 119.8352 54.9735 17.7220 179.7072 53 R 3.8867 7.8927 116.7452 59.3772 29.9260 179.0826 54 S 3.9356 7.8051 112.1364 61.0686 62.5666 175.4155 55 I 4.0528 8.2101 119.4964 60.3178 38.8299 174.4953 56 N 4.0364 7.4916 115.6837 53.7418 35.5801 171.9629 57 A 4.7113 8.1546 121.9814 49.5098 22.2004 176.7941 58 K 4.1393 8.3713 121.7316 55.7672 33.2531 175.8744 59 P 4.7052 0.0000 0.0000 60.7560 29.0431 174.6034 60 G 3.8412 7.0590 113.8126 46.1174 0.0000 172.4357 61 D 4.4354 7.6460 118.2966 53.8287 41.1156 175.5202 62 I 4.4302 8.0765 116.1841 59.4574 39.6138 175.0432 63 I 4.2283 8.4838 127.8901 61.0905 38.8257 174.6942 64 R 5.0477 9.0312 126.0878 54.7353 32.7899 174.1862 65 I 4.7251 8.8236 127.7950 59.6412 39.4176 174.5832 66 I 4.7162 8.3009 128.6705 59.6115 39.0632 174.9416 67 R 4.8204 8.3095 123.3899 53.7342 32.7056 175.2419 68 K 4.3997 8.6896 121.1660 56.8881 32.9226 176.0954 69 S 4.6812 9.0817 121.5860 56.6622 63.3391 175.2272 70 Q 4.1321 9.0102 126.4695 58.1359 29.0311 177.0743 71 L 4.4503 8.0163 116.3317 56.0693 42.8581 176.6214 72 Y 4.5322 8.3282 115.9588 56.8010 38.8397 175.1877 73 G 3.9887 8.1906 111.0748 45.2836 0.0000 172.8422 74 E 5.1758 7.4888 117.8822 53.7029 33.9811 174.5884 75 V 4.5118 8.5832 123.2893 61.0453 34.8957 174.0726 76 V 4.6031 8.4075 127.3947 61.4174 32.9013 174.4439 77 S 4.4262 8.5145 121.5137 56.5562 66.4329 171.5203 78 Y 5.4228 8.2022 118.5421 56.6971 42.0661 174.7084 79 R 4.8625 8.9007 118.3271 55.6986 33.3804 174.0427 80 Y 4.5403 8.6554 115.7582 57.3200 41.4832 172.4847 81 V 4.2272 8.2085 126.2352 62.8854 31.9765 171.2154 82 I 3.9221 8.1319 126.3855 61.3932 37.3873 175.4471 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 9 I 8.02 3.90 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.07 0.92 0.00 0.00 10 D 8.67 4.10 0.00 2.88 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 11 P 0.00 4.94 0.00 2.22 2.13 0.00 3.83 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.97 0.00 12 R 7.74 4.12 0.00 1.88 1.89 0.00 3.40 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.55 0.00 13 I 8.12 3.66 1.85 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.62 0.87 0.00 0.00 14 H 7.73 4.71 0.00 3.18 3.20 0.00 5.88 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 8.16 3.94 0.00 2.99 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 16 L 8.15 3.94 0.00 1.61 1.57 1.08 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.63 3.71 2.11 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 0.88 0.00 0.00 1.00 0.00 0.00 18 P 0.00 4.61 0.00 2.04 2.10 0.00 3.79 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 19 K 8.13 4.58 0.00 1.72 1.78 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.40 7.81 20 H 8.92 5.35 0.00 2.98 3.22 0.00 5.84 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 9.25 4.77 0.00 1.86 1.82 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 2.23 2.24 0.00 22 V 8.52 4.09 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 0.78 0.00 0.00 0.95 0.00 0.00 23 L 7.87 4.65 0.00 1.68 1.60 1.03 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.58 4.37 0.00 3.91 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 25 I 8.61 3.69 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.15 0.92 0.00 0.00 26 D 8.05 4.38 0.00 2.70 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.17 3.92 0.00 2.22 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 2.46 2.40 0.00 28 A 8.37 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 29 Y 7.75 3.93 0.00 3.18 3.22 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 0.00 0.00 0.00 0.00 30 K 7.76 3.89 0.00 1.78 1.81 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.53 7.81 31 I 7.26 3.66 1.76 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.50 0.41 0.00 0.00 32 L 7.44 3.84 0.00 1.64 1.60 0.94 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.42 3.82 0.00 1.20 1.51 0.00 1.68 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.33 7.81 34 E 7.48 4.06 0.00 2.22 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 2.30 2.46 0.00 35 L 8.13 4.19 0.00 1.54 1.69 0.90 1.17 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 36 G 7.96 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 I 7.29 4.74 1.96 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.72 0.88 0.00 0.00 38 R 8.81 4.17 0.00 1.85 1.95 0.00 3.20 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.54 0.00 39 P 0.00 4.48 0.00 2.33 2.31 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.08 0.00 40 E 7.84 3.98 0.00 1.93 2.13 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 2.24 2.03 0.00 41 Q 7.72 4.44 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.70 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 42 L 7.49 4.85 0.00 1.98 1.67 1.09 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 3.71 0.00 2.08 2.13 0.00 3.98 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 44 W 7.92 4.30 0.00 3.42 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 45 I 8.12 4.75 1.96 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 1.49 1.16 0.94 0.00 0.00 46 R 8.56 4.25 0.00 1.89 1.85 0.00 3.15 0.00 0.00 3.35 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 47 A 8.42 4.01 1.24 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 48 S 7.95 4.21 0.00 3.87 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 49 D 7.64 4.36 0.00 2.76 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 50 P 0.00 4.25 0.00 2.30 2.32 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 51 V 7.68 3.48 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 0.63 0.00 0.00 0.83 0.00 0.00 52 A 7.92 4.25 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.89 3.89 0.00 2.08 1.98 0.00 3.28 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.77 0.00 54 S 7.81 3.94 0.00 3.96 3.99 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 55 I 8.21 4.05 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.82 0.93 0.00 0.00 56 N 7.49 4.04 0.00 2.80 2.81 0.00 0.00 6.67 7.23 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 57 A 8.15 4.71 1.17 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 0.00 0.00 58 K 8.37 4.14 0.00 1.77 1.69 0.00 1.92 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.43 7.81 59 P 0.00 4.71 0.00 1.95 1.92 0.00 3.66 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 60 G 7.06 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 0.00 0.00 0.00 61 D 7.65 4.44 0.00 2.67 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 62 I 8.08 4.43 2.20 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.93 1.10 0.00 0.00 63 I 8.48 4.23 1.95 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.52 1.01 0.00 0.00 64 R 9.03 5.05 0.00 2.12 2.05 0.00 3.39 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 65 I 8.82 4.73 1.73 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 1.02 0.46 0.76 0.00 0.00 66 I 8.30 4.72 1.85 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.90 0.91 0.00 0.00 67 R 8.31 4.82 0.00 1.82 1.93 0.00 2.73 0.00 0.00 3.12 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 68 K 8.69 4.40 0.00 1.64 1.80 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.43 7.81 69 S 9.08 4.68 0.00 3.90 3.70 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 70 Q 9.01 4.13 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.63 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 71 L 8.02 4.45 0.00 1.67 1.76 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 72 Y 8.33 4.53 0.00 2.78 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 73 G 8.19 3.99 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 0.00 0.00 0.00 74 E 7.49 5.18 0.00 1.76 1.80 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 2.18 2.26 0.00 75 V 8.58 4.51 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 0.89 0.00 0.00 1.05 0.00 0.00 76 V 8.41 4.60 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 0.53 0.00 0.00 0.92 0.00 0.00 77 S 8.51 4.43 0.00 3.75 3.49 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 78 Y 8.20 5.42 0.00 2.89 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 79 R 8.90 4.86 0.00 1.76 2.01 0.00 3.56 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 80 Y 8.66 4.54 0.00 3.20 3.30 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 81 V 8.21 4.23 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 0.92 0.00 0.00 0.95 0.00 0.00 82 I 8.13 3.92 1.68 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.34 0.63 0.00 0.00