NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3677 8.2893 120.3453 55.3657 33.2254 175.1650 2 I 3.9498 8.2250 119.7416 59.1620 39.0999 173.3312 3 R 4.5210 9.1878 122.5297 54.7236 31.8127 176.3837 4 L 4.8008 8.8621 125.2601 53.2590 44.2503 176.9631 5 T 4.3807 8.2777 112.2146 60.9907 71.4130 176.0259 6 I 3.6511 8.0732 120.9342 64.3687 36.8848 178.5057 7 E 3.9310 8.0622 119.0174 59.3539 29.4693 179.1146 8 E 3.9281 7.7558 117.2656 59.9710 29.7266 179.6839 9 T 3.9283 7.7185 115.4711 66.2274 68.1850 176.6004 10 N 4.3112 7.8778 118.6520 56.3272 39.0835 176.4408 11 L 4.1538 7.7929 121.9809 57.9846 42.2877 178.9185 12 L 4.1094 7.9263 118.6528 57.6858 41.3115 179.3224 13 S 4.2006 7.7770 112.1898 61.1325 62.3107 175.9320 14 I 3.8038 7.3123 122.1726 63.2841 36.6625 176.2043 15 Y 4.5582 7.5462 114.0818 57.1596 39.1244 174.1878 16 N 4.4363 8.1042 118.9204 54.4221 38.7541 174.0054 17 E 4.5354 8.9587 123.7866 56.6742 32.7679 175.4495 18 G 4.1032 8.9653 115.5173 46.7765 0.0000 174.0170 19 G 4.1689 8.1715 108.1984 46.1186 0.0000 175.6192 20 K 3.8904 8.6555 117.6365 58.2303 33.2634 179.1940 21 R 3.9325 8.4344 120.3236 59.4196 30.0384 179.1721 22 G 3.9545 8.0945 106.6898 46.9209 0.0000 175.4317 23 L 4.2642 7.4182 122.9289 58.0183 42.0670 179.0684 24 M 4.0111 8.0120 118.6003 58.3523 31.7331 178.6358 25 E 3.9860 8.3103 118.7750 59.0350 29.3650 179.1811 26 N 4.3766 8.1468 116.2314 56.3254 38.8591 177.2603 27 I 2.9966 7.5553 121.0512 64.3278 36.9957 178.4236 28 N 4.3024 8.0262 115.5111 55.8248 38.3801 177.0122 29 A 4.2659 7.6982 121.5293 53.7504 18.6770 178.4206 30 A 5.1479 7.3291 118.1169 52.1952 19.4976 178.6270 31 L 3.9431 7.8078 122.5758 58.5561 41.5917 177.5693 32 P 4.2428 0.0000 0.0000 64.5465 31.4720 176.7298 33 F 4.5601 7.3966 116.5994 57.9843 39.4809 175.4355 34 M 4.5259 7.3455 120.1555 53.9353 33.6889 175.4706 35 D 4.5828 8.2791 120.6174 53.7406 43.4508 176.5331 36 E 3.9225 8.6420 124.6716 59.5605 29.8601 178.7773 37 D 4.3600 8.3245 117.8790 57.4808 41.3088 178.1200 38 M 4.1264 7.9892 118.9742 58.2329 31.8819 178.5288 39 R 3.9131 8.0190 119.0064 59.3973 28.7814 178.4091 40 E 3.9928 8.2425 118.4172 58.9902 29.4760 179.0079 41 L 4.2568 7.9288 120.0982 57.8149 42.0581 178.7928 42 A 4.0000 7.9022 121.1580 54.9346 18.4873 179.7458 43 K 3.9383 7.8671 117.3637 59.8405 32.4299 179.8106 44 R 4.0318 7.2358 118.4746 59.4713 30.4569 178.6242 45 T 4.2567 7.8807 115.3418 66.3356 68.5752 177.1443 46 L 4.0063 8.2188 120.8710 57.3494 41.3914 179.0496 47 A 4.1358 7.4361 118.4285 54.2932 18.3369 179.3045 48 K 4.1290 7.6839 116.3114 58.6565 32.6150 178.4612 49 I 4.2382 7.4424 117.4389 61.0536 37.4829 177.2956 50 A 3.9367 7.6644 123.5800 54.7791 18.2215 176.8676 51 P 4.5491 0.0000 0.0000 63.1173 31.4965 175.5012 52 L 4.7034 7.4588 119.0026 53.6232 44.2206 175.1506 53 T 4.8099 7.9811 109.5175 60.1406 71.4839 174.7016 54 E 4.1117 8.6569 119.1219 59.6502 28.8664 178.7865 55 N 4.3368 7.9878 117.5764 56.8487 38.5660 176.9134 56 E 4.6110 8.0985 120.8543 58.9291 29.6011 178.3760 57 Y 4.3399 8.0556 119.3522 60.1170 38.6482 177.1923 58 A 3.9560 7.7823 120.2993 54.4071 18.7561 178.9672 59 E 4.0697 7.7478 116.4573 59.1500 28.8274 179.1700 60 L 3.9241 7.6285 118.0634 57.1566 41.6018 179.0078 61 A 3.4850 8.3993 118.7591 52.7026 16.6828 175.7815 62 I 3.0513 6.8786 124.3375 63.1439 34.2502 173.2434 63 F 4.5600 8.2414 118.5365 57.6722 39.2302 177.2591 64 A 4.7223 6.7712 123.7486 49.0141 17.5072 176.2643 65 A 4.5123 7.6535 117.0772 52.3421 21.3991 176.8477 66 D 4.6573 7.9973 117.5707 55.6005 42.1620 178.1671 67 E 4.1183 8.0171 118.0237 58.6999 29.4633 178.1718 68 V 4.1458 7.5684 110.2794 61.4069 32.1738 177.5757 69 L 4.0983 7.5640 120.5399 56.9659 41.6703 178.4265 70 E 4.0262 7.9507 114.5195 57.6208 30.1235 177.0439 71 H 4.4588 7.7238 118.7232 58.4559 30.4096 174.9003 72 H 4.3857 7.7406 115.0180 57.1511 31.8631 169.6455 73 H 3.9389 7.7698 123.4937 55.5625 25.6426 173.0665 74 H 4.3920 8.4600 123.4496 55.2090 30.2972 174.5777 75 H 4.2785 8.6254 124.4488 56.2988 28.4519 174.8769 76 H 4.4688 8.6069 123.5825 56.2059 30.0505 172.8922 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 8.29 4.37 0.00 1.92 1.99 0.00 0.00 0.00 0.00 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 2 I 8.23 3.95 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.96 0.94 0.00 0.00 3 R 9.19 4.52 0.00 1.78 1.91 0.00 3.43 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 1.55 1.58 0.00 4 L 8.86 4.80 0.00 1.77 1.58 1.06 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.28 4.38 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 1.23 0.00 0.00 6 I 8.07 3.65 1.84 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 1.63 0.87 0.92 0.00 0.00 7 E 8.06 3.93 0.00 2.04 1.98 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 2.39 2.44 0.00 8 E 7.76 3.93 0.00 2.18 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 2.33 2.35 0.00 9 T 7.72 3.93 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 0.77 0.00 0.00 10 N 7.88 4.31 0.00 2.72 2.85 0.00 0.00 7.13 7.80 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 11 L 7.79 4.15 0.00 1.85 1.85 1.03 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.93 4.11 0.00 2.02 1.89 1.08 0.49 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 13 S 7.78 4.20 0.00 4.03 4.05 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 14 I 7.31 3.80 1.92 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 1.41 0.86 0.35 0.00 0.00 15 Y 7.55 4.56 0.00 2.97 2.89 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 16 N 8.10 4.44 0.00 3.05 2.84 0.00 0.00 6.87 7.17 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 17 E 8.96 4.54 0.00 2.03 1.78 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 2.26 2.28 0.00 18 G 8.97 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.17 4.17 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 0.00 20 K 8.66 3.89 0.00 1.61 1.48 0.00 1.31 0.00 0.00 1.88 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.62 1.85 7.81 21 R 8.43 3.93 0.00 1.97 2.01 0.00 3.13 0.00 0.00 3.48 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 22 G 8.09 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.42 4.26 0.00 1.96 1.62 1.08 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 24 M 8.01 4.01 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.49 0.00 25 E 8.31 3.99 0.00 1.99 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 2.60 2.48 0.00 26 N 8.15 4.38 0.00 3.02 3.06 0.00 0.00 7.34 7.49 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 27 I 7.56 3.00 1.73 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 0.90 0.65 0.72 0.00 0.00 28 N 8.03 4.30 0.00 2.78 2.84 0.00 0.00 7.23 6.87 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 29 A 7.70 4.27 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 30 A 7.33 5.15 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 31 L 7.81 3.94 0.00 1.65 1.68 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.24 0.00 1.63 1.93 0.00 3.60 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.69 0.00 33 F 7.40 4.56 0.00 3.23 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 34 M 7.35 4.53 0.00 1.99 2.22 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.59 0.00 35 D 8.28 4.58 0.00 2.86 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 36 E 8.64 3.92 0.00 2.07 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 2.36 0.00 37 D 8.32 4.36 0.00 2.87 2.79 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 38 M 7.99 4.13 0.00 2.17 2.26 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 2.72 2.64 0.00 39 R 8.02 3.91 0.00 1.97 2.06 0.00 3.05 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 40 E 8.24 3.99 0.00 2.03 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 2.59 2.45 0.00 41 L 7.93 4.26 0.00 1.89 1.88 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.90 4.00 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 43 K 7.87 3.94 0.00 1.93 2.05 0.00 1.30 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.46 1.46 7.81 44 R 7.24 4.03 0.00 2.06 2.03 0.00 3.15 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 45 T 7.88 4.26 4.23 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 0.00 0.00 1.33 0.00 0.00 46 L 8.22 4.01 0.00 1.67 1.66 0.84 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.44 4.14 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 48 K 7.68 4.13 0.00 1.95 1.92 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.71 1.76 7.81 49 I 7.44 4.24 1.75 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.29 0.80 0.00 0.00 50 A 7.66 3.94 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 51 P 0.00 4.55 0.00 2.20 2.16 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 52 L 7.46 4.70 0.00 1.85 1.68 1.01 0.81 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 53 T 7.98 4.81 4.27 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 1.23 0.00 0.00 54 E 8.66 4.11 0.00 2.12 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 2.44 2.50 0.00 55 N 7.99 4.34 0.00 2.80 2.83 0.00 0.00 7.12 7.69 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 56 E 8.10 4.61 0.00 2.16 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 2.43 2.30 0.00 57 Y 8.06 4.34 0.00 3.00 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 58 A 7.78 3.96 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 59 E 7.75 4.07 0.00 2.24 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 2.31 2.55 0.00 60 L 7.63 3.92 0.00 1.80 2.03 1.26 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 61 A 8.40 3.49 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 62 I 6.88 3.05 1.83 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.74 0.90 0.00 0.00 63 F 8.24 4.56 0.00 3.12 3.08 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 64 A 6.77 4.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 7.65 4.51 1.22 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 0.00 0.00 66 D 8.00 4.66 0.00 2.76 2.66 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 0.00 0.00 0.00 0.00 67 E 8.02 4.12 0.00 2.10 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 2.40 2.40 0.00 68 V 7.57 4.15 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 0.88 0.00 0.00 0.97 0.00 0.00 69 L 7.56 4.10 0.00 1.82 1.65 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 70 E 7.95 4.03 0.00 2.09 2.07 0.00 0.00 0.00 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 2.30 0.00 71 H 7.72 4.46 0.00 3.11 3.48 0.00 5.89 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 H 7.74 4.39 0.00 3.06 3.19 0.00 6.08 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 H 7.77 3.94 0.00 3.32 3.31 0.00 5.70 0.00 0.00 0.00 0.00 6.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 H 8.46 4.39 0.00 3.06 3.20 0.00 5.73 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 H 8.63 4.28 0.00 3.13 3.23 0.00 5.69 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 H 8.61 4.47 0.00 3.07 3.12 0.00 5.76 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00