NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.0798 8.2549 120.8393 55.0739 31.2467 175.2651 2 P 4.0523 0.0000 0.0000 62.2252 32.0112 176.4046 3 D 4.4059 8.5521 123.6140 58.6034 40.6000 179.2341 4 F 4.6786 7.9388 114.4573 59.3571 37.8570 177.6606 5 C 4.6594 7.3529 115.9465 58.6976 40.0262 174.4926 6 L 4.3803 7.4311 119.1913 54.0090 42.0775 176.6554 7 E 4.2538 7.4019 118.9826 55.5708 30.1213 174.9698 8 P 4.5991 0.0000 0.0000 60.8223 32.4632 174.6455 9 P 3.5914 0.0000 0.0000 62.7312 31.3617 175.0243 10 Y 4.6627 7.9044 122.4988 56.0751 40.6256 175.3280 11 T 4.2264 8.2280 124.6702 64.9930 68.9885 176.2371 12 G 3.9101 6.6619 104.1592 44.3337 0.0000 171.3515 13 P 4.3677 0.0000 0.0000 64.1072 32.0133 177.5896 14 C 4.4491 7.8361 119.7041 57.2699 40.8608 174.7630 15 K 4.1043 8.3156 121.8340 55.1585 31.8311 178.0130 16 A 4.2183 7.7974 120.8922 52.9333 19.7634 177.1320 17 R 4.7076 8.1236 117.1523 54.1520 30.3286 174.1612 18 I 4.4167 8.2566 122.5511 59.3691 40.1206 174.9373 19 I 4.2927 8.1322 127.0357 60.9488 37.9371 175.3767 20 R 4.5676 8.3216 124.7690 54.5439 34.8551 173.5973 21 Y 5.7543 9.2057 118.1295 56.5753 41.0293 175.1809 22 F 5.7574 9.4523 116.7850 55.4516 42.1460 172.7698 23 Y 4.3922 9.6167 122.6100 57.0585 39.5930 174.4635 24 N 4.5718 7.9473 126.3287 51.8961 39.1027 175.1097 25 A 3.9300 8.8251 132.5117 55.7794 18.8350 179.4488 26 K 4.0644 8.0924 115.4640 57.5045 31.8631 179.7691 27 A 4.1064 7.7869 120.7173 52.5496 18.9363 178.3570 28 G 3.8663 9.3110 103.5688 45.2603 0.0000 172.5237 29 L 4.5916 6.6301 118.4635 54.3485 44.1528 175.0554 30 C 4.9291 8.5479 116.7770 56.8479 41.6335 173.1243 31 Q 4.8472 8.5216 120.9988 54.3398 33.1707 174.2437 32 T 5.1546 8.5632 110.3066 61.3015 70.7857 173.9126 33 F 4.9802 8.7235 116.3730 55.9973 41.8428 173.0722 34 V 4.2870 8.4292 120.5108 62.1944 32.2489 174.3392 35 Y 4.6723 8.8646 130.5584 56.3578 39.9038 176.6635 36 G 3.7120 8.3386 114.3707 47.4927 0.0000 174.7215 37 G 3.6246 5.7380 106.6299 45.3553 0.0000 172.3329 38 C 4.8895 7.1082 112.4899 54.6416 44.9719 173.2624 39 R 3.7478 8.6727 116.3053 57.4231 26.9422 176.6626 40 A 4.3981 7.9601 118.8338 52.0809 19.5228 177.7657 41 K 4.4200 8.1747 119.7111 54.6772 34.0277 177.4740 42 R 3.5291 8.1290 118.4308 58.9782 30.1652 177.5200 43 N 4.9392 7.3761 118.1953 51.3169 36.7807 173.5094 44 N 5.0487 7.1073 116.5693 52.8071 41.8383 173.3530 45 F 4.9320 9.5943 126.0050 55.6745 42.0236 176.8333 46 K 4.0494 9.1923 124.2015 58.5378 32.8369 177.3849 47 S 4.8308 8.0438 112.5077 56.4398 64.9258 174.5020 48 A 3.3381 8.0375 130.4357 54.6825 18.1768 179.2649 49 E 3.7168 7.9531 117.4224 59.6579 29.7027 178.6120 50 D 4.2977 7.6441 118.0134 57.4215 40.8561 177.9682 51 C 2.4500 7.5336 118.1975 59.5681 37.8675 175.7034 52 M 3.8475 7.6909 120.1044 58.2006 31.2253 178.8305 53 R 3.8584 7.5399 118.1517 59.4505 30.3251 178.4821 54 T 4.0764 7.6937 114.6604 66.2289 68.5878 175.1650 55 C 4.3863 7.5779 115.3125 56.3485 40.5313 174.2088 56 G 4.1898 7.6312 114.0785 45.1331 0.0000 174.2419 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 R 8.25 4.08 0.00 1.59 1.79 0.00 2.85 0.00 0.00 2.84 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.34 0.00 2 P 0.00 4.05 0.00 1.13 1.69 0.00 3.30 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 1.91 2.02 0.00 3 D 8.55 4.41 0.00 2.68 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 4 F 7.94 4.68 0.00 3.25 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 5 C 7.35 4.66 0.00 2.87 3.02 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 0.00 0.00 0.00 6 L 7.43 4.38 0.00 1.61 1.76 0.93 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.40 4.25 0.00 2.16 1.92 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 2.39 2.50 0.00 8 P 0.00 4.60 0.00 2.00 1.93 0.00 3.68 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 9 P 0.00 3.59 0.00 0.75 0.49 0.00 3.38 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.58 0.00 10 Y 7.90 4.66 0.00 2.80 2.91 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 11 T 8.23 4.23 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 1.20 0.00 0.00 12 G 6.66 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 13 P 0.00 4.37 0.00 2.18 2.19 0.00 3.79 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 14 C 7.84 4.45 0.00 2.79 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 15 K 8.32 4.10 0.00 1.77 1.70 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.34 1.00 7.81 16 A 7.80 4.22 1.13 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 17 R 8.12 4.71 0.00 1.86 1.78 0.00 3.30 0.00 0.00 3.22 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.19 0.00 18 I 8.26 4.42 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 1.12 1.05 0.91 0.00 0.00 19 I 8.13 4.29 1.72 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.68 0.58 0.00 0.00 20 R 8.32 4.57 0.00 0.69 1.60 0.00 3.35 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.49 0.00 21 Y 9.21 5.75 0.00 3.09 2.98 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 22 F 9.45 5.76 0.00 3.09 3.09 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 23 Y 9.62 4.39 0.00 3.00 3.17 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 24 N 7.95 4.57 0.00 2.36 2.44 0.00 0.00 6.64 7.33 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 25 A 8.83 3.93 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 26 K 8.09 4.06 0.00 1.79 1.74 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.01 7.81 27 A 7.79 4.11 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 28 G 9.31 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 6.63 4.59 0.00 1.65 1.69 0.80 0.62 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 30 C 8.55 4.93 0.00 2.82 3.09 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 31 Q 8.52 4.85 0.00 1.53 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.16 1.95 0.00 32 T 8.56 5.15 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 1.23 0.00 0.00 33 F 8.72 4.98 0.00 2.97 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 34 V 8.43 4.29 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 0.70 0.00 0.00 0.90 0.00 0.00 35 Y 8.86 4.67 0.00 2.52 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 36 G 8.34 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 5.74 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 38 C 7.11 4.89 0.00 3.05 2.97 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 39 R 8.67 3.75 0.00 2.41 2.22 0.00 3.32 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.17 0.00 40 A 7.96 4.40 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.17 4.42 0.00 1.75 1.86 0.00 1.63 0.00 0.00 1.49 0.00 0.00 2.69 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.25 1.24 7.81 42 R 8.13 3.53 0.00 1.30 0.66 0.00 2.99 0.00 0.00 2.83 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.23 0.00 43 N 7.38 4.94 0.00 3.01 2.89 0.00 0.00 6.93 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 7.11 5.05 0.00 2.72 2.56 0.00 0.00 7.09 7.02 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 45 F 9.59 4.93 0.00 3.25 3.17 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 46 K 9.19 4.05 0.00 1.79 1.94 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.50 7.81 47 S 8.04 4.83 0.00 3.97 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 48 A 8.04 3.34 0.49 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 49 E 7.95 3.72 0.00 1.97 1.91 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 2.32 2.36 0.00 50 D 7.64 4.30 0.00 3.02 2.86 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 51 C 7.53 2.45 0.00 2.64 2.98 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 52 M 7.69 3.85 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.60 0.00 53 R 7.54 3.86 0.00 1.77 1.87 0.00 3.24 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 54 T 7.69 4.08 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 55 C 7.58 4.39 0.00 2.42 1.86 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 56 G 7.63 4.19 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 0.00 0.00 0.00