NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 T 4.3582 8.1593 110.9393 62.8141 69.9454 173.9483 11 K 4.4390 8.0454 108.3757 56.5062 33.5411 172.3120 12 N 4.7856 8.3256 118.6768 55.1559 44.7239 175.2199 13 G 3.9078 7.9676 107.7336 46.0874 0.0000 172.0932 14 R 4.5078 7.1482 121.7941 54.7277 34.0916 174.5004 15 D 4.5746 8.1369 119.5196 53.6403 43.8893 176.4010 16 S 4.2460 8.7726 122.2562 57.8329 63.6554 174.0233 17 Q 4.1235 8.4775 121.2788 55.6656 28.9639 175.8092 18 A 4.1275 8.2711 121.7684 52.3290 18.7469 178.0774 19 K 4.0898 8.7018 121.8390 56.7231 33.2402 177.0504 20 R 3.8204 7.7582 116.5682 57.0562 27.3439 175.1755 21 L 4.5716 7.5224 120.2995 55.3404 43.4613 175.7917 22 G 3.7642 8.1589 107.9473 45.2150 0.0000 171.7293 23 V 3.7713 8.0710 119.3326 62.8446 31.7968 176.5231 24 K 4.0774 8.4838 126.8633 58.3755 32.7805 177.1928 25 R 4.5299 8.4430 117.1131 54.8750 31.9300 175.4048 26 Y 5.0751 9.1906 117.9757 55.6426 41.2445 175.1683 27 E 4.6401 8.4789 121.6422 57.4162 30.2587 176.9663 28 G 3.9768 9.0760 112.3027 45.6716 0.0000 172.5353 29 Q 4.7415 7.5104 117.8250 53.5987 31.0581 175.7024 30 V 4.3539 8.4145 123.5323 63.4074 32.4934 175.3737 31 V 4.5397 8.3475 117.4792 59.9786 36.1804 175.9221 32 R 4.5688 8.7158 125.1964 56.2366 30.2016 176.5999 33 A 5.0465 7.9559 127.5489 54.5429 19.7397 175.5740 34 G 4.1508 9.3136 109.4882 45.8736 0.0000 172.7684 35 N 4.2309 8.5247 118.4289 53.8892 39.5802 174.0507 36 I 4.2329 8.5319 124.6423 61.8730 36.1451 175.8893 37 L 4.1340 8.9464 128.6388 57.4172 42.7403 177.9339 38 V 4.4683 7.4302 117.3481 61.8068 35.1570 173.0190 39 R 4.9243 8.4122 126.3304 55.5927 31.8863 175.3882 40 Q 4.9129 8.3424 118.8167 55.2488 31.4371 174.8432 41 R 4.2850 8.8675 118.8455 58.7163 31.0950 177.5370 42 G 3.9880 7.8317 104.0230 45.9146 0.0000 172.6393 43 T 4.5398 7.9197 115.8326 62.4148 70.5707 175.6918 44 R 3.8806 8.2416 121.7610 58.6792 30.4667 177.1446 45 F 4.9038 8.3657 115.4523 55.8174 42.7944 174.4972 46 K 4.4540 9.0607 122.4861 53.5401 34.3817 176.3298 47 P 4.9144 0.0000 0.0000 62.3580 33.5909 175.3580 48 G 4.2103 8.5237 104.3453 45.3111 0.0000 170.6769 49 K 3.7275 8.2728 121.2221 57.7740 32.1399 176.7480 50 N 4.3222 8.8272 123.4420 53.5729 35.6740 175.3302 51 V 4.3504 7.4072 116.6816 62.0405 34.8266 174.5446 52 G 3.9061 7.7818 115.8483 44.8698 0.0000 171.1471 53 M 6.2300 7.8145 115.6335 53.9353 34.7848 174.5134 54 G 4.4375 8.4344 108.0938 43.8089 0.0000 173.4612 55 R 3.6972 8.7222 117.5418 59.5215 29.9352 177.8520 56 D 4.2577 7.8101 112.5524 53.4214 39.1369 175.9573 57 F 4.1252 7.6394 116.4230 59.1556 36.8006 175.0196 58 T 4.2235 8.0305 117.6911 63.6765 69.6531 173.4407 59 L 5.0795 9.0453 127.3466 53.6789 43.6316 175.7809 60 F 5.5444 8.4231 117.4124 55.0408 41.6288 173.8822 61 A 4.2998 9.1316 123.6166 52.5005 18.9333 177.9061 62 L 4.5713 8.1392 118.2027 55.0039 43.7519 176.2384 63 V 4.6648 7.4805 111.0162 59.6719 36.1524 173.2567 64 D 5.3249 8.2218 119.5390 51.0541 43.4209 176.1983 65 G 4.3770 7.2318 109.8311 46.2278 0.0000 172.3530 66 V 5.5085 7.4599 122.9252 59.7588 35.2688 175.0211 67 V 4.3307 8.3118 125.8598 62.9127 33.0753 174.4578 68 E 5.0413 8.9151 123.5612 55.0065 33.1829 173.7803 69 F 5.2297 9.1528 120.5670 56.1068 41.8158 175.7780 70 Q 4.4501 9.3101 123.8733 54.5863 31.0691 173.0447 71 D 4.8940 8.7451 125.6972 53.7414 42.6900 176.2920 72 R 4.7475 8.8122 124.1147 56.0424 33.0665 180.1492 73 G 3.9726 8.9617 107.4365 46.7880 0.0000 176.4844 74 R 3.8520 9.4419 116.5048 59.3837 31.1415 178.1270 75 L 4.0873 7.7771 115.9128 58.9980 41.9940 176.1350 76 G 3.5768 6.9012 102.7765 43.8316 0.0000 171.8392 77 R 4.6370 8.3086 119.3023 55.4127 31.2071 175.8074 78 Y 5.0688 9.0164 122.2159 55.8520 40.7600 175.1864 79 V 4.5275 8.3343 120.6387 61.7432 34.7196 174.0942 80 H 5.0069 8.8243 123.1331 54.4881 34.1976 172.2058 81 V 5.4324 8.5209 119.3575 60.1861 33.1070 175.2225 82 R 4.3161 8.5890 125.9676 54.9881 30.3850 174.3477 83 P 4.8325 0.0000 0.0000 62.2782 32.1693 175.5191 84 L 4.4589 7.9283 118.6828 55.8778 42.6081 173.9817 85 A 4.0939 8.4884 122.2516 53.1870 18.9736 176.3772 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 10 T 8.16 4.36 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 1.21 0.00 0.00 11 K 8.05 4.44 0.00 1.90 1.81 0.00 1.53 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.24 1.52 7.81 12 N 8.33 4.79 0.00 2.67 2.82 0.00 0.00 7.17 7.65 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 13 G 7.97 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 14 R 7.15 4.51 0.00 1.92 1.79 0.00 3.30 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 15 D 8.14 4.57 0.00 2.62 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.77 4.25 0.00 4.02 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 8.48 4.12 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 18 A 8.27 4.13 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 19 K 8.70 4.09 0.00 1.77 1.89 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.41 7.81 20 R 7.76 3.82 0.00 1.94 1.96 0.00 3.20 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 21 L 7.52 4.57 0.00 1.64 1.60 0.95 1.11 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 22 G 8.16 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 0.00 0.00 0.00 23 V 8.07 3.77 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 0.40 0.00 0.00 0.77 0.00 0.00 24 K 8.48 4.08 0.00 1.83 1.75 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.48 1.35 7.81 25 R 8.44 4.53 0.00 1.75 1.78 0.00 3.08 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 26 Y 9.19 5.08 0.00 3.06 2.82 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 27 E 8.48 4.64 0.00 2.52 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 2.42 2.68 0.00 28 G 9.08 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.51 4.74 0.00 2.35 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 30 V 8.41 4.35 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 31 V 8.35 4.54 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 0.80 0.00 0.00 1.00 0.00 0.00 32 R 8.72 4.57 0.00 2.06 1.79 0.00 3.24 0.00 0.00 3.35 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.58 0.00 33 A 7.96 5.05 1.28 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 0.00 0.00 34 G 9.31 4.15 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 35 N 8.52 4.23 0.00 2.68 2.81 0.00 0.00 7.14 7.27 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 36 I 8.53 4.23 1.87 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 1.35 0.43 0.99 0.00 0.00 37 L 8.95 4.13 0.00 1.50 1.57 0.79 0.55 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 38 V 7.43 4.47 1.87 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 0.86 0.00 0.00 0.69 0.00 0.00 39 R 8.41 4.92 0.00 1.85 1.84 0.00 3.17 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 40 Q 8.34 4.91 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 7.10 0.00 0.00 0.00 0.00 0.00 2.49 2.55 0.00 41 R 8.87 4.29 0.00 1.87 2.08 0.00 3.23 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 42 G 7.83 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 43 T 7.92 4.54 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 1.08 0.00 0.00 44 R 8.24 3.88 0.00 2.03 1.83 0.00 3.20 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 45 F 8.37 4.90 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 46 K 9.06 4.45 0.00 0.79 1.21 0.00 0.75 0.00 0.00 1.39 0.00 0.00 2.75 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.11 0.92 7.81 47 P 0.00 4.91 0.00 2.18 1.99 0.00 3.75 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.01 0.00 48 G 8.52 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.27 3.73 0.00 1.78 1.74 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.42 1.22 7.81 50 N 8.83 4.32 0.00 3.00 2.82 0.00 0.00 6.48 7.68 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 51 V 7.41 4.35 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 0.60 0.00 0.00 0.94 0.00 0.00 52 G 7.78 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 53 M 7.81 6.23 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.47 0.00 54 G 8.43 4.44 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 0.00 55 R 8.72 3.70 0.00 1.69 1.86 0.00 3.15 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 56 D 7.81 4.26 0.00 2.74 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 57 F 7.64 4.13 0.00 3.32 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 58 T 8.03 4.22 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 1.30 0.00 0.00 59 L 9.05 5.08 0.00 1.72 1.52 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.42 5.54 0.00 3.43 3.05 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 0.00 0.00 0.00 61 A 9.13 4.30 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 62 L 8.14 4.57 0.00 1.50 1.69 0.80 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.48 4.66 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 0.94 0.00 0.00 0.92 0.00 0.00 64 D 8.22 5.32 0.00 2.65 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 65 G 7.23 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.46 5.51 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 1.05 0.00 0.00 0.95 0.00 0.00 67 V 8.31 4.33 2.34 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 0.60 0.00 0.00 0.89 0.00 0.00 68 E 8.92 5.04 0.00 2.10 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 2.43 2.37 0.00 69 F 9.15 5.23 0.00 2.97 3.12 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 0.00 0.00 0.00 0.00 70 Q 9.31 4.45 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.99 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 71 D 8.75 4.89 0.00 2.79 2.61 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 72 R 8.81 4.75 0.00 2.15 1.88 0.00 3.29 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.83 0.00 73 G 8.96 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 0.00 0.00 0.00 74 R 9.44 3.85 0.00 1.83 2.02 0.00 3.39 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 75 L 7.78 4.09 0.00 1.91 2.09 0.90 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 76 G 6.90 3.58 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 0.00 77 R 8.31 4.64 0.00 1.50 1.96 0.00 2.91 0.00 0.00 2.76 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.48 0.00 78 Y 9.02 5.07 0.00 3.10 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 79 V 8.33 4.53 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 0.11 0.00 0.00 0.73 0.00 0.00 80 H 8.82 5.01 0.00 3.02 3.29 0.00 5.61 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.52 5.43 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 0.83 0.00 0.00 0.87 0.00 0.00 82 R 8.59 4.32 0.00 1.93 2.07 0.00 3.03 0.00 0.00 3.40 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 83 P 0.00 4.83 0.00 2.09 2.09 0.00 3.40 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.79 0.00 84 L 7.93 4.46 0.00 1.59 1.63 0.93 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.49 4.09 1.20 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 0.00 0.00