NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.6047 8.3249 119.4441 57.4436 40.3609 173.7229 2 E 4.4642 8.5425 121.3898 53.7098 32.0356 174.6052 3 N 4.6250 9.3420 120.8617 53.1875 38.9631 173.9999 4 R 4.5544 8.2885 123.9176 56.1145 30.8706 178.8273 5 V 3.6013 8.2946 120.5945 66.1782 31.4759 177.6512 6 A 4.2757 8.0921 121.2522 54.8429 17.9639 179.3777 7 E 3.9899 8.0109 116.5512 59.4712 29.4869 179.7023 8 K 4.1765 8.0739 118.0916 59.2939 32.2713 179.2357 9 Q 4.0820 8.5708 119.0972 58.8053 28.3970 178.8911 10 K 4.0315 7.6296 119.0142 59.3555 32.4996 178.1594 11 L 3.9282 7.9837 120.7304 58.3108 41.7509 178.7361 12 F 4.1476 8.2004 115.2471 58.9923 39.1322 176.8727 13 Q 4.4576 7.9147 116.5496 54.6984 29.0627 175.6048 14 E 3.9731 7.2803 121.1614 56.6385 30.4528 177.7091 15 D 4.6568 8.5072 124.5256 54.0749 39.7717 175.6575 16 N 4.7035 7.8259 113.8866 51.8854 38.3877 175.9087 17 G 3.9253 8.1477 105.3123 46.2657 0.0000 174.0128 18 L 4.1314 7.9528 119.6300 53.4909 42.3969 175.3955 19 P 4.5973 0.0000 0.0000 61.8778 32.4687 177.6343 20 V 3.7089 8.3937 118.5851 65.0982 31.2340 177.4706 21 H 4.6256 8.2051 112.8317 56.3383 28.7765 175.2110 22 L 4.6436 7.8683 118.8620 54.2337 43.1534 177.6370 23 K 4.1318 8.0556 119.6750 57.7583 32.2034 177.2868 24 G 3.8385 9.0216 106.6687 46.0193 0.0000 174.7034 25 G 3.8513 7.7975 105.6138 44.2003 0.0000 175.3109 26 A 3.9919 8.7915 120.0682 55.5509 18.5134 179.6492 27 T 3.8544 8.0480 107.7999 65.2368 68.4434 175.9860 28 D 4.4045 8.0441 121.0973 57.4380 40.7969 178.5380 29 N 4.5449 8.1273 116.4507 56.2223 38.6087 177.5200 30 I 3.7252 7.5652 120.9031 64.2336 37.2866 178.1103 31 L 3.9452 8.0884 121.2138 58.3370 41.9266 178.1660 32 Y 4.2222 8.4934 119.7622 61.1553 38.7578 178.6026 33 R 3.7520 8.2480 118.9009 58.8271 30.1053 179.1713 34 V 3.5488 8.2015 118.6268 66.2610 31.4884 178.2283 35 T 3.7966 7.8340 115.2383 66.9482 68.3339 176.2460 36 M 3.8549 8.1157 120.3828 58.9748 32.1063 178.4782 37 T 3.8331 7.8911 115.7120 66.4829 68.3774 176.8003 38 L 3.9451 7.9578 120.8829 57.9359 41.6444 179.0802 39 C 4.4292 8.1387 116.6617 63.0248 28.1009 176.4307 40 L 4.0524 8.1223 120.1700 57.7454 41.2468 179.4467 41 G 3.9477 8.6205 106.1902 48.2071 0.0000 175.8130 42 G 3.7668 9.2021 109.4517 47.6304 0.0000 175.9577 43 T 3.9498 8.1742 118.0845 66.2873 68.4740 176.9130 44 L 4.0059 8.2123 121.0158 57.9686 41.7199 178.5225 45 Y 4.6088 8.4164 120.2692 61.3185 38.6298 178.7827 46 S 3.9401 8.4208 114.9769 61.1440 62.9320 176.2799 47 L 3.9870 8.0068 122.1691 57.6951 41.6587 178.4763 48 Y 4.2309 8.2024 119.3323 61.1409 38.8439 177.9408 49 C 3.9296 8.1304 117.4893 62.6782 28.0980 176.0039 50 L 4.0559 8.1223 122.1454 58.0850 41.4505 179.2786 51 G 3.6540 7.6505 104.2149 47.4671 0.0000 175.2333 52 W 4.2086 7.9299 130.0093 60.2364 30.6760 177.7549 53 A 4.1811 8.1635 118.8390 54.4330 17.9753 179.1258 54 S 3.9879 7.8730 112.5277 59.1593 63.2725 174.1337 55 F 4.5709 6.6513 119.4458 54.4347 40.8044 173.8585 56 P 4.3004 0.0000 0.0000 63.2113 31.9199 176.7756 57 H 4.5088 8.0543 119.1750 53.5139 27.6861 175.0544 58 K 4.3604 7.8689 121.5234 56.2700 31.6425 176.4081 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 F 8.32 4.60 0.00 3.02 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 2 E 8.54 4.46 0.00 2.04 1.88 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 2.23 2.39 0.00 3 N 9.34 4.62 0.00 2.70 2.79 0.00 0.00 6.94 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 4 R 8.29 4.55 0.00 1.91 1.94 0.00 3.47 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.58 0.00 5 V 8.29 3.60 2.17 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 1.10 0.00 0.00 0.95 0.00 0.00 6 A 8.09 4.28 1.35 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 7 E 8.01 3.99 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 8 K 8.07 4.18 0.00 1.98 2.12 0.00 1.86 0.00 0.00 1.90 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.81 1.56 7.81 9 Q 8.57 4.08 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.64 0.00 10 K 7.63 4.03 0.00 1.96 1.82 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.44 7.81 11 L 7.98 3.93 0.00 1.65 1.58 0.71 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.20 4.15 0.00 3.20 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 13 Q 7.91 4.46 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.70 0.00 14 E 7.28 3.97 0.00 2.00 1.85 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 0.00 2.31 2.20 0.00 15 D 8.51 4.66 0.00 2.63 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 16 N 7.83 4.70 0.00 2.79 2.84 0.00 0.00 6.30 7.00 0.00 0.00 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 G 8.15 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 0.00 0.00 0.00 0.00 18 L 7.95 4.13 0.00 1.72 1.56 0.91 0.75 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 19 P 0.00 4.60 0.00 2.24 2.18 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.87 0.00 20 V 8.39 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 0.87 0.00 0.00 0.94 0.00 0.00 21 H 8.21 4.63 0.00 3.29 3.43 0.00 5.47 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.87 4.64 0.00 1.51 1.54 0.63 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.06 4.13 0.00 1.92 2.02 0.00 2.00 0.00 0.00 1.90 0.00 0.00 3.05 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.34 1.33 7.81 24 G 9.02 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 25 G 7.80 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.79 3.99 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 27 T 8.05 3.85 4.28 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 1.24 0.00 0.00 28 D 8.04 4.40 0.00 2.98 2.95 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 29 N 8.13 4.54 0.00 2.78 2.94 0.00 0.00 7.12 7.30 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 30 I 7.57 3.73 2.05 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 1.43 0.70 0.93 0.00 0.00 31 L 8.09 3.95 0.00 2.08 1.84 0.95 0.74 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 32 Y 8.49 4.22 0.00 3.12 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 33 R 8.25 3.75 0.00 2.00 1.93 0.00 3.33 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 34 V 8.20 3.55 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 1.02 0.00 0.00 0.94 0.00 0.00 35 T 7.83 3.80 4.30 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 1.20 0.00 0.00 36 M 8.12 3.85 0.00 1.73 1.56 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 37 T 7.89 3.83 4.37 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 1.18 0.00 0.00 38 L 7.96 3.95 0.00 1.67 1.70 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 39 C 8.14 4.43 0.00 3.06 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 40 L 8.12 4.05 0.00 1.76 1.70 0.92 0.73 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 41 G 8.62 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 42 G 9.20 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 0.00 0.00 0.00 43 T 8.17 3.95 4.40 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 1.24 0.00 0.00 44 L 8.21 4.01 0.00 1.91 1.79 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.42 4.61 0.00 3.02 3.26 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 46 S 8.42 3.94 0.00 4.01 4.04 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 0.00 0.00 0.00 47 L 8.01 3.99 0.00 1.86 1.84 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.20 4.23 0.00 3.22 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 49 C 8.13 3.93 0.00 2.97 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 50 L 8.12 4.06 0.00 1.85 1.86 0.91 0.86 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 51 G 7.65 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 W 7.93 4.21 0.00 3.07 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.16 4.18 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 54 S 7.87 3.99 0.00 3.74 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 F 6.65 4.57 0.00 2.92 2.80 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 56 P 0.00 4.30 0.00 2.10 1.98 0.00 3.89 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 57 H 8.05 4.51 0.00 2.89 3.22 0.00 5.93 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 7.87 4.36 0.00 1.71 1.71 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.41 7.81