NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3184 8.2649 123.5825 51.9703 19.6431 176.1005 2 R 4.3833 8.4589 121.8403 52.1516 33.0629 172.4520 3 P 4.7801 0.0000 0.0000 61.1356 34.1749 175.1639 4 K 4.3646 8.1472 118.2595 54.8159 34.4604 176.2685 5 D 4.6640 8.4133 124.4993 52.8782 42.2997 176.2997 6 R 3.9015 8.7608 118.2708 57.3598 30.3493 176.5323 7 P 3.6170 0.0000 0.0000 64.0239 31.7307 176.7788 8 S 3.8012 7.4431 112.7813 60.3416 62.3248 174.2218 9 Y 4.5776 7.0904 117.8214 61.3702 38.3418 179.2250 10 C 4.4987 8.4681 117.8286 60.2668 40.1829 175.1456 11 N 4.6682 8.0676 113.3634 53.6835 38.5071 175.6796 12 L 4.2571 7.4292 119.0793 53.9632 42.3228 175.1570 13 P 4.0911 0.0000 0.0000 61.6988 32.0426 176.3147 14 A 2.6689 7.3378 125.1862 51.6339 18.2463 176.8602 15 D 4.6914 7.9827 122.8357 52.6379 43.7875 175.9990 16 S 4.2412 8.7782 120.1401 59.0564 63.8542 175.6143 17 G 3.8887 7.8067 108.6930 44.6642 0.0000 172.8207 18 S 4.3875 8.5661 113.0900 57.6821 63.6315 173.8027 19 G 4.1337 9.4340 109.8645 46.9231 0.0000 172.1996 20 T 4.7662 8.6914 118.6370 64.0965 76.4400 174.7271 21 K 4.5513 8.0365 126.2447 53.7936 34.0534 173.3828 22 P 4.8583 0.0000 0.0000 62.2431 32.1416 175.2462 23 E 4.8142 9.2194 123.5476 54.3980 34.7449 174.4953 24 Q 4.5761 8.4794 119.4677 56.0475 29.9857 175.8695 25 R 4.6149 8.5442 120.9047 55.0045 35.4544 173.6259 26 I 5.5176 8.4048 118.7262 60.4861 41.6013 174.5046 27 Y 5.5364 9.4424 123.4934 55.7009 42.0311 173.1445 28 Y 4.7798 8.5024 122.7998 57.0432 39.6893 174.9369 29 N 4.3729 8.5278 124.9525 53.6777 39.3929 176.0260 30 S 4.2072 8.9038 120.0152 61.3021 63.6227 175.6137 31 A 4.1179 7.9130 122.2600 55.4848 18.3376 179.7579 32 K 3.9715 7.8610 112.6055 56.9883 33.1601 177.1875 33 K 3.4372 6.9718 118.1129 56.6695 30.3408 173.0241 34 Q 4.7025 6.7460 116.8430 53.0795 33.4910 175.8509 35 C 5.0359 8.0374 119.5220 55.8099 44.2596 174.0979 36 V 4.6508 8.2702 119.5073 59.3051 35.6702 175.3368 37 T 5.1183 8.3907 112.0666 61.7530 70.0898 173.7370 38 F 5.3011 9.3045 117.2740 55.5307 42.2631 173.7737 39 T 4.4853 8.8447 116.7016 63.4634 68.9906 173.7492 40 Y 4.5330 8.7527 129.5333 56.1798 40.0869 175.5346 41 N 4.3355 8.5316 124.8387 53.5870 40.5060 177.0367 42 G 4.1610 7.7316 106.2206 45.1793 0.0000 172.9378 43 K 4.3747 6.9622 122.0921 55.9351 32.5459 180.0444 44 G 3.6151 8.2056 118.9891 46.7454 0.0000 174.4167 45 G 3.7702 8.4992 114.4431 44.4265 0.0000 172.1212 46 N 4.4882 8.5287 117.6473 53.5689 39.1210 174.8947 47 G 4.1466 8.1389 109.2620 45.0806 0.0000 173.0177 48 N 4.1879 8.0912 119.2960 53.0384 38.5929 173.4337 49 N 5.1856 8.0158 123.7813 51.8470 41.7628 173.2376 50 F 4.8815 9.8013 125.3160 55.9536 41.2169 175.8047 51 S 4.7006 8.8289 118.9375 57.9534 63.7890 173.9837 52 R 4.6451 7.5867 120.4640 54.1132 33.3991 176.0964 53 T 3.9340 8.7239 119.7520 66.9057 68.4593 176.3919 54 N 4.3576 8.1283 117.7340 56.1095 38.4483 177.0230 55 D 4.4062 8.0925 121.0133 57.1696 40.7203 176.2660 56 C 3.6155 8.0442 114.5070 58.0679 41.6041 175.7642 57 R 3.8257 7.8238 120.1282 59.6157 29.7185 178.2502 58 Q 4.0014 7.7270 116.2563 60.2423 28.7989 178.8181 59 T 3.6838 7.4632 115.3280 64.1568 68.5004 173.2744 60 C 5.1479 8.0625 124.3544 57.4086 42.9114 172.9070 61 Q 4.3516 7.9168 122.5860 56.8476 30.3380 175.4776 62 Y 5.4480 7.4022 120.3386 54.9236 38.0727 172.7845 63 P 4.5692 0.0000 0.0000 61.3350 30.4378 175.9665 64 V 4.4703 8.0041 116.7215 59.3500 34.4611 176.6433 65 G 3.7402 8.2454 108.5026 46.1916 0.0000 172.4842 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 A 8.26 4.32 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 2 R 8.46 4.38 0.00 1.84 1.82 0.00 3.20 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 1.52 1.68 0.00 3 P 0.00 4.78 0.00 2.16 2.03 0.00 3.71 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 1.97 0.00 4 K 8.15 4.36 0.00 1.68 1.70 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.32 1.42 7.81 5 D 8.41 4.66 0.00 2.57 2.57 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 0.00 0.00 0.00 0.00 6 R 8.76 3.90 0.00 1.70 1.84 0.00 3.26 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 7 P 0.00 3.62 0.00 2.18 1.64 0.00 3.68 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 2.02 1.95 0.00 8 S 7.44 3.80 0.00 3.40 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Y 7.09 4.58 0.00 3.19 3.10 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 10 C 8.47 4.50 0.00 2.65 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 0.00 0.00 0.00 11 N 8.07 4.67 0.00 2.91 2.98 0.00 0.00 7.23 7.29 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 12 L 7.43 4.26 0.00 1.77 1.62 1.16 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.09 0.00 2.17 1.83 0.00 3.60 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.02 0.00 14 A 7.34 2.67 0.09 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 0.00 0.00 0.00 0.00 0.00 15 D 7.98 4.69 0.00 2.67 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 8.78 4.24 0.00 4.17 4.41 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 17 G 7.81 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 0.00 0.00 0.00 18 S 8.57 4.39 0.00 3.96 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 19 G 9.43 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 20 T 8.69 4.77 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 1.25 0.00 0.00 21 K 8.04 4.55 0.00 1.66 1.77 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.77 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.36 7.81 22 P 0.00 4.86 0.00 2.06 2.08 0.00 3.46 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.11 0.00 23 E 9.22 4.81 0.00 1.80 1.76 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 2.19 2.28 0.00 24 Q 8.48 4.58 0.00 1.87 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 25 R 8.54 4.61 0.00 0.67 1.57 0.00 3.02 0.00 0.00 2.92 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.91 0.00 26 I 8.40 5.52 2.25 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.04 0.98 0.00 0.00 27 Y 9.44 5.54 0.00 2.90 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 28 Y 8.50 4.78 0.00 3.22 3.20 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 29 N 8.53 4.37 0.00 2.48 2.54 0.00 0.00 6.61 7.20 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 30 S 8.90 4.21 0.00 3.89 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 31 A 7.91 4.12 1.29 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 0.00 0.00 32 K 7.86 3.97 0.00 1.64 1.83 0.00 1.91 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.42 7.81 33 K 6.97 3.44 0.00 2.06 1.93 0.00 1.68 0.00 0.00 1.92 0.00 0.00 3.05 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.53 7.81 34 Q 6.75 4.70 0.00 2.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 2.55 2.25 0.00 35 C 8.04 5.04 0.00 2.69 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 36 V 8.27 4.65 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 0.84 0.00 0.00 0.49 0.00 0.00 37 T 8.39 5.12 4.33 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 1.28 0.00 0.00 38 F 9.30 5.30 0.00 3.09 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.84 4.49 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 1.24 0.00 0.00 40 Y 8.75 4.53 0.00 1.96 2.35 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 41 N 8.53 4.34 0.00 2.84 2.85 0.00 0.00 7.23 7.59 0.00 0.00 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 7.73 4.16 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 0.00 0.00 0.00 43 K 6.96 4.37 0.00 1.62 0.94 0.00 1.91 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.35 7.81 44 G 8.21 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.50 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 46 N 8.53 4.49 0.00 2.86 2.67 0.00 0.00 6.96 7.60 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 47 G 8.14 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 48 N 8.09 4.19 0.00 2.58 2.72 0.00 0.00 7.26 8.31 0.00 0.00 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 N 8.02 5.19 0.00 2.86 2.65 0.00 0.00 6.90 6.84 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 50 F 9.80 4.88 0.00 3.22 2.93 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 51 S 8.83 4.70 0.00 3.91 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 52 R 7.59 4.65 0.00 1.98 1.84 0.00 3.31 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 53 T 8.72 3.93 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 1.26 0.00 0.00 54 N 8.13 4.36 0.00 2.74 2.87 0.00 0.00 7.18 8.09 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 55 D 8.09 4.41 0.00 2.96 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 C 8.04 3.62 0.00 2.94 2.96 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 0.00 0.00 0.00 57 R 7.82 3.83 0.00 1.97 2.04 0.00 3.21 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 58 Q 7.73 4.00 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.89 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 59 T 7.46 3.68 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 0.35 0.00 0.00 60 C 8.06 5.15 0.00 2.03 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 0.00 0.00 0.00 0.00 61 Q 7.92 4.35 0.00 1.97 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.35 6.99 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 62 Y 7.40 5.45 0.00 2.94 2.85 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 63 P 0.00 4.57 0.00 2.14 2.07 0.00 3.97 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.16 0.00 64 V 8.00 4.47 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 0.96 0.00 0.00 65 G 8.25 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00