NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3161 8.1631 117.3742 63.0368 69.7556 173.4964 2 G 3.4891 8.3997 115.5595 45.0866 0.0000 172.4872 3 A 4.2019 8.1289 124.3989 52.4755 21.0166 176.8660 4 G 4.3122 7.1464 111.5489 44.9692 0.0000 176.3150 5 T 3.8655 8.8920 120.4825 66.3136 67.9635 173.4331 6 P 4.4851 0.0000 0.0000 65.8329 31.2922 177.4023 7 S 4.5087 8.2682 112.9873 59.0756 62.9429 175.7795 8 Q 4.2970 8.5782 122.7747 58.2118 28.3431 178.2803 9 G 3.6639 8.0706 107.8941 48.0189 0.0000 174.1673 10 K 4.3265 7.9132 117.0414 56.6766 32.5106 178.0105 11 K 4.4040 7.4976 121.3501 55.0745 30.2249 176.2901 12 N 5.0669 7.8425 117.9786 52.5922 38.3660 175.1044 13 T 4.5175 7.9236 114.7454 63.1681 70.3977 174.2539 14 T 4.4470 8.3350 122.7557 62.5297 69.4137 172.7527 15 T 4.3100 7.5622 114.3237 63.0121 71.0385 172.8740 16 H 4.7847 8.1296 119.1917 55.1513 29.9381 174.8273 17 T 4.8251 9.6454 113.9973 58.9990 72.9213 172.9781 18 K 4.0816 8.8406 122.4728 57.6377 32.6375 175.1355 19 C 4.3113 8.9965 128.3032 58.4232 32.4137 174.2442 20 R 3.6915 8.4249 126.5517 59.4906 30.0197 177.7091 21 R 3.6260 7.2304 116.4973 58.8079 30.0705 176.6055 22 C 4.3823 7.8504 108.7316 57.3327 30.7113 174.5548 23 G 3.8859 8.0866 108.6016 45.5475 0.0000 173.0460 24 E 4.4381 7.6230 119.2668 54.1352 31.3912 176.6211 25 K 4.5561 8.1886 125.4740 56.4072 29.7094 176.6511 26 S 4.7414 7.7677 113.4368 58.2222 66.6661 174.7035 27 Y 4.7580 9.0259 123.9128 57.0483 39.2789 174.3531 28 H 4.4232 9.0032 128.9335 56.1719 29.8166 175.5754 29 T 3.7016 9.1006 121.9977 63.7675 66.8942 174.8862 30 K 4.2874 8.1621 118.8848 58.0224 33.0772 177.4161 31 K 4.1491 7.8365 115.8412 55.5057 33.1808 176.2523 32 K 3.3269 8.4469 118.0416 55.8536 30.2171 175.0243 33 V 4.6138 6.8362 115.7464 61.2209 34.9711 172.9749 34 C 5.1067 9.2188 127.8082 58.0983 32.0164 174.5223 35 S 4.3406 8.8653 122.4688 60.4094 63.0265 175.1925 36 S 4.4774 8.1719 115.3625 60.1999 62.9105 174.3611 37 C 4.3783 8.1036 112.9992 57.6516 30.4810 175.0088 38 G 4.0720 8.5991 109.3894 45.4419 0.0000 173.1067 39 F 4.4871 8.0936 122.4677 59.8692 39.6432 175.6534 40 G 3.7347 8.7546 115.4443 45.9536 0.0000 173.5509 41 K 4.3247 8.2302 118.7613 57.2110 33.7564 175.9983 42 S 4.7467 7.7131 110.2053 56.0685 65.3085 173.4420 43 A 4.2062 8.6495 129.0957 54.9717 18.5597 178.7470 44 K 4.2678 7.5171 113.7766 55.9987 32.8141 177.1596 45 R 4.3034 8.2055 120.8400 55.9208 30.8859 176.5422 46 R 3.9006 8.4326 124.5246 56.6907 30.6158 175.4260 47 D 4.5226 7.5690 123.4346 53.6797 44.4668 174.0353 48 Y 4.4406 8.5174 122.6576 55.7589 41.3280 176.5883 49 E 4.0397 8.6470 122.0873 58.4851 30.1425 177.8465 50 W 4.6697 7.5345 114.9533 56.9344 28.5273 177.2646 51 Q 4.4534 7.6461 117.3518 57.0385 28.2798 175.4656 52 S 4.6864 7.4591 110.5455 56.3785 66.3736 174.1539 53 K 3.9860 8.6639 120.3163 56.4705 32.3227 177.9617 54 A 4.0229 8.8594 126.5033 55.1422 18.3447 178.3877 55 G 4.1512 7.5727 103.2738 44.9261 0.0000 173.1853 56 E 4.3735 8.1508 125.9489 56.5581 30.2979 174.7523 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 T 8.16 4.32 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 2 G 8.40 3.49 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 0.00 3 A 8.13 4.20 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 4 G 7.15 4.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.89 3.87 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 6 P 0.00 4.49 0.00 2.21 2.20 0.00 3.65 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.07 0.00 7 S 8.27 4.51 0.00 4.12 3.92 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 0.00 0.00 0.00 8 Q 8.58 4.30 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.61 2.51 0.00 9 G 8.07 3.66 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 0.00 0.00 0.00 10 K 7.91 4.33 0.00 1.76 1.85 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.45 7.81 11 K 7.50 4.40 0.00 1.82 1.77 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.43 7.81 12 N 7.84 5.07 0.00 2.77 2.83 0.00 0.00 6.27 7.71 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 13 T 7.92 4.52 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 1.19 0.00 0.00 14 T 8.34 4.45 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 15 T 7.56 4.31 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 1.10 0.00 0.00 16 H 8.13 4.78 0.00 3.08 3.48 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 9.65 4.83 4.34 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 1.32 0.00 0.00 18 K 8.84 4.08 0.00 1.79 1.84 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.54 7.81 19 C 9.00 4.31 0.00 3.19 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 20 R 8.42 3.69 0.00 1.57 1.52 0.00 3.15 0.00 0.00 3.11 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 21 R 7.23 3.63 0.00 0.67 1.31 0.00 3.25 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.33 0.00 22 C 7.85 4.38 0.00 3.08 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 23 G 8.09 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 24 E 7.62 4.44 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 25 K 8.19 4.56 0.00 1.80 1.78 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.52 7.81 26 S 7.77 4.74 0.00 3.86 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.03 4.76 0.00 3.10 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 28 H 9.00 4.42 0.00 3.18 3.09 0.00 5.66 0.00 0.00 0.00 0.00 6.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 9.10 3.70 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 1.20 0.00 0.00 30 K 8.16 4.29 0.00 1.87 1.84 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.41 7.81 31 K 7.84 4.15 0.00 1.52 1.70 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.58 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.15 0.76 7.81 32 K 8.45 3.33 0.00 1.81 1.87 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.45 7.81 33 V 6.84 4.61 2.01 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 1.10 0.00 0.00 0.95 0.00 0.00 34 C 9.22 5.11 0.00 3.43 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 35 S 8.87 4.34 0.00 4.09 4.08 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 36 S 8.17 4.48 0.00 3.90 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 37 C 8.10 4.38 0.00 3.17 3.18 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 0.00 38 G 8.60 4.07 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 0.00 0.00 0.00 39 F 8.09 4.49 0.00 3.07 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 40 G 8.75 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.23 4.32 0.00 1.68 2.01 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.35 7.81 42 S 7.71 4.75 0.00 3.84 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.65 4.21 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.52 4.27 0.00 1.70 1.71 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.40 7.81 45 R 8.21 4.30 0.00 1.65 1.83 0.00 3.37 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 46 R 8.43 3.90 0.00 1.92 2.00 0.00 3.46 0.00 0.00 3.44 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.81 0.00 47 D 7.57 4.52 0.00 2.51 2.23 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 0.00 48 Y 8.52 4.44 0.00 1.43 1.50 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 49 E 8.65 4.04 0.00 2.02 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 2.29 2.25 0.00 50 W 7.53 4.67 0.00 3.51 3.32 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 51 Q 7.65 4.45 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.70 0.00 0.00 0.00 0.00 0.00 2.04 1.71 0.00 52 S 7.46 4.69 0.00 4.02 3.79 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 53 K 8.66 3.99 0.00 1.83 1.81 0.00 1.75 0.00 0.00 1.86 0.00 0.00 2.94 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.56 1.41 7.81 54 A 8.86 4.02 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 55 G 7.57 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 56 E 8.15 4.37 0.00 1.90 1.89 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 2.16 2.18 0.00