NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2967 8.1233 122.4576 51.7488 20.6322 175.6781 2 D 4.2678 8.6864 122.9786 53.7791 40.4607 175.3779 3 C 4.5234 9.0478 124.3062 58.5904 42.5414 174.2004 4 A 4.3114 6.9872 115.6816 51.1496 21.9237 175.3645 5 K 5.3530 9.3495 123.2870 52.1794 35.6537 176.7492 6 G 3.8825 7.5757 111.1575 46.2522 0.0000 171.0130 7 K 4.9104 7.9825 120.4502 54.4730 34.4134 175.9691 8 I 4.1240 8.0989 122.5256 61.5084 37.5513 175.9222 9 E 4.3887 9.3490 126.6646 58.6802 29.8945 176.7233 10 F 5.3090 7.5027 112.3331 55.2835 42.0852 172.8393 11 S 5.2367 8.8660 112.4113 56.6788 66.4821 173.3482 12 K 4.4516 8.4876 122.0940 55.0429 35.7020 174.2701 13 Y 4.5169 8.6182 129.1377 57.0680 39.4517 174.4859 14 N 4.7198 8.7745 125.3595 51.9892 39.9393 175.7974 15 E 4.0298 8.9754 122.7489 59.6319 29.5654 177.6192 16 D 4.5287 7.8926 114.4166 53.5228 39.7334 176.3673 17 D 4.3580 8.4651 119.2857 54.8064 39.0163 174.1580 18 T 4.6897 8.1176 111.1354 61.2317 71.1694 173.1960 19 F 5.1711 9.2659 123.3424 56.9156 42.4548 173.5497 20 T 5.3981 8.9213 123.0110 62.3949 71.0514 174.1969 21 V 4.8126 8.8977 117.0703 59.5066 36.4105 174.2740 22 K 4.7352 8.2472 125.5615 54.7973 33.9650 175.2722 23 V 4.5386 8.6115 126.6417 62.0514 35.0053 174.9126 24 D 4.2593 9.5212 126.6886 55.6509 39.2032 173.3768 25 G 4.0379 8.9651 103.1280 46.3687 0.0000 172.5777 26 K 4.5785 8.0230 117.4342 54.2167 36.4387 175.1188 27 E 4.8532 8.5820 123.1893 55.1923 31.3828 174.7731 28 Y 5.0761 8.9225 121.8894 55.8646 42.0980 174.5837 29 W 5.6748 9.1779 120.0784 55.2603 31.6022 174.5099 30 T 4.7317 9.1927 115.1749 60.5168 70.4089 174.2677 31 S 4.7837 8.6775 118.7492 58.0861 64.3375 174.4777 32 R 4.1199 7.6020 121.9561 55.3644 29.3248 177.1336 33 W 4.4712 8.7144 124.8062 59.8168 28.8331 178.1263 34 N 4.4739 8.3341 115.2945 56.1633 38.1806 176.8249 35 L 4.2292 8.1929 120.4806 57.3990 41.6537 178.8368 36 Q 3.1735 7.8269 118.2797 58.5119 28.7938 177.3253 37 P 4.3254 0.0000 0.0000 65.1632 31.3272 178.4798 38 L 3.8669 7.7093 119.0990 57.8439 41.7967 178.9668 39 L 4.3023 8.3286 119.3506 57.7407 41.5501 179.3957 40 L 4.1244 8.1482 120.4167 58.1644 42.0893 179.0142 41 S 4.1293 8.0432 114.6287 61.8104 62.8466 176.7263 42 A 4.2149 8.5250 123.6279 54.9224 18.0281 179.5590 43 Q 3.9097 8.1004 118.2437 59.5715 29.0983 178.2971 44 L 4.0961 7.8855 118.8650 57.1640 41.6838 178.6916 45 T 4.5710 7.3992 105.5667 60.1001 69.2107 174.2069 46 G 4.0901 8.6699 109.0593 46.4827 0.0000 173.7912 47 M 4.2000 7.5134 116.9532 56.0015 33.1329 176.3160 48 T 4.6524 8.3603 117.6116 62.7652 70.5605 174.4102 49 V 4.6839 9.1017 119.5379 59.7514 35.4660 174.9277 50 T 4.6309 8.1482 120.6619 61.7590 70.5678 173.8027 51 I 3.8146 8.0723 128.8351 60.7477 38.1544 175.4547 52 K 4.9640 8.1467 126.4677 54.8204 34.5688 175.4268 53 S 4.4326 8.5813 116.4594 57.7051 65.4710 175.4704 54 S 4.2831 9.0650 120.3962 61.4464 62.7585 175.4558 55 T 4.7548 8.0554 107.5496 60.2329 71.3879 172.8490 56 C 5.1452 8.6736 118.7238 56.3569 40.2226 174.2423 57 E 4.2179 8.0397 118.6859 55.9490 29.7234 176.2701 58 S 3.6958 8.2320 115.3844 59.7303 62.8982 174.2437 59 G 4.0071 9.6121 115.9740 45.8135 0.0000 173.3894 60 S 4.7660 7.5929 114.5735 57.3243 64.7832 173.7558 61 G 2.5500 8.1548 109.1980 45.1546 0.0000 172.9457 62 F 5.0613 8.1457 117.2927 55.2098 41.2317 174.6904 63 A 4.2405 8.5430 117.9991 51.8429 21.6613 175.2773 64 E 4.8908 8.2610 118.5407 54.2136 32.3012 175.1363 65 V 4.7049 8.1667 125.6460 60.2967 34.5129 174.0449 66 Q 4.2530 8.7683 126.8428 55.2786 30.6735 174.3660 67 F 5.0382 8.8043 124.4602 56.0814 40.7171 174.4327 68 N 4.8905 9.0115 122.3576 51.9203 39.9184 176.0308 69 N 4.3102 9.3443 120.9186 54.8926 40.1034 174.4255 70 D 4.7194 7.4219 121.3364 52.9710 40.9945 174.6352 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 8.12 4.30 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 2 D 8.69 4.27 0.00 2.58 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 3 C 9.05 4.52 0.00 2.40 2.87 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 4 A 6.99 4.31 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 5 K 9.35 5.35 0.00 1.60 1.60 0.00 1.71 0.00 0.00 2.33 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.25 1.27 7.81 6 G 7.58 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.98 4.91 0.00 1.74 1.74 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.65 1.43 7.81 8 I 8.10 4.12 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.47 0.97 0.00 0.00 9 E 9.35 4.39 0.00 1.70 2.03 0.00 0.00 0.00 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 2.48 0.00 10 F 7.50 5.31 0.00 3.04 3.13 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 11 S 8.87 5.24 0.00 4.03 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 12 K 8.49 4.45 0.00 1.84 1.69 0.00 1.58 0.00 0.00 1.52 0.00 0.00 2.81 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.47 1.36 7.81 13 Y 8.62 4.52 0.00 3.24 2.88 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 0.00 0.00 0.00 14 N 8.77 4.72 0.00 2.88 2.63 0.00 0.00 6.17 7.21 0.00 0.00 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 E 8.98 4.03 0.00 1.92 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 0.00 2.30 2.39 0.00 16 D 7.89 4.53 0.00 2.74 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.47 4.36 0.00 3.03 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 18 T 8.12 4.69 4.62 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 1.17 0.00 0.00 19 F 9.27 5.17 0.00 3.17 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 20 T 8.92 5.40 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 1.35 0.00 0.00 21 V 8.90 4.81 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 1.00 0.00 0.00 0.95 0.00 0.00 22 K 8.25 4.74 0.00 0.79 1.00 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.22 7.81 23 V 8.61 4.54 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 0.93 0.00 0.00 0.82 0.00 0.00 24 D 9.52 4.26 0.00 2.89 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 8.97 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 0.00 0.00 0.00 26 K 8.02 4.58 0.00 1.85 1.29 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.27 1.38 7.81 27 E 8.58 4.85 0.00 1.80 1.83 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 2.22 2.25 0.00 28 Y 8.92 5.08 0.00 2.58 2.78 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 0.00 0.00 0.00 29 W 9.18 5.67 0.00 3.53 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 30 T 9.19 4.73 2.74 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 1.28 0.00 0.00 31 S 8.68 4.78 0.00 4.03 4.20 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 32 R 7.60 4.12 0.00 1.77 1.92 0.00 3.22 0.00 0.00 3.07 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 33 W 8.71 4.47 0.00 3.41 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 34 N 8.33 4.47 0.00 2.72 2.92 0.00 0.00 6.94 7.85 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 35 L 8.19 4.23 0.00 1.90 1.82 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 7.83 3.17 0.00 2.03 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.81 0.00 0.00 0.00 0.00 0.00 1.58 2.26 0.00 37 P 0.00 4.33 0.00 2.22 2.27 0.00 3.88 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 38 L 7.71 3.87 0.00 1.84 1.34 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.33 4.30 0.00 1.90 1.98 1.24 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.15 4.12 0.00 1.90 1.71 1.14 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.04 4.13 0.00 4.10 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 42 A 8.53 4.21 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.10 3.91 0.00 2.44 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.64 0.00 44 L 7.89 4.10 0.00 1.71 1.77 0.95 0.86 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 45 T 7.40 4.57 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 1.25 0.00 0.00 46 G 8.67 4.09 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 0.00 47 M 7.51 4.20 0.00 2.12 2.29 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.69 0.00 48 T 8.36 4.65 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 1.22 0.00 0.00 49 V 9.10 4.68 1.71 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 0.82 0.00 0.00 0.78 0.00 0.00 50 T 8.15 4.63 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 1.08 0.00 0.00 51 I 8.07 3.81 1.06 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.09 -0.23 0.00 0.00 52 K 8.15 4.96 0.00 1.52 1.61 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.21 7.81 53 S 8.58 4.43 0.00 3.82 3.60 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 54 S 9.07 4.28 0.00 3.88 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 8.06 4.75 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 1.23 0.00 0.00 56 C 8.67 5.15 0.00 2.98 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 57 E 8.04 4.22 0.00 2.15 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 0.00 2.41 2.34 0.00 58 S 8.23 3.70 0.00 3.67 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 59 G 9.61 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 0.00 0.00 0.00 0.00 60 S 7.59 4.77 0.00 4.09 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 61 G 8.15 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.15 5.06 0.00 3.00 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 63 A 8.54 4.24 1.09 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 64 E 8.26 4.89 0.00 2.02 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 2.25 2.26 0.00 65 V 8.17 4.70 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 0.79 0.00 0.00 0.18 0.00 0.00 66 Q 8.77 4.25 0.00 2.06 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 67 F 8.80 5.04 0.00 2.96 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 68 N 9.01 4.89 0.00 2.84 2.73 0.00 0.00 6.21 6.54 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 69 N 9.34 4.31 0.00 2.70 2.84 0.00 0.00 7.24 8.47 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 70 D 7.42 4.72 0.00 2.90 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