NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 R 4.2261 8.1133 117.2681 56.3220 30.5852 176.6308 11 S 3.6188 8.4677 114.9105 59.3895 62.6040 174.5020 12 G 3.7623 7.8817 112.4239 47.9307 0.0000 175.7485 13 R 4.0939 7.6306 114.7687 57.7954 30.1030 177.1294 14 F 5.0477 8.3606 117.4986 57.3954 40.0446 176.8155 15 G 3.7536 7.5575 109.7879 46.7498 0.0000 174.1636 16 A 4.4813 8.4963 125.4968 52.4051 19.1558 177.2995 17 R 4.1760 7.1027 117.4894 57.1509 32.3096 175.6862 18 Y 4.1875 8.1825 119.7112 58.2125 36.5014 170.5031 19 G 3.9999 8.2881 104.1133 44.2526 0.0000 172.8962 20 R 3.6454 7.9769 114.2960 59.6248 30.4100 179.0323 21 V 3.5406 7.7902 116.6532 66.9457 31.8392 178.0373 22 S 4.1711 8.1076 113.8196 61.8177 62.5727 176.6586 23 R 4.7892 7.6116 117.2913 56.1419 30.5024 177.3156 24 R 4.4314 8.4585 121.5151 58.8056 31.3242 177.9210 25 R 3.9567 7.8104 117.3283 59.0982 30.1675 178.7312 26 V 3.4074 7.6417 118.0458 65.9943 31.3930 177.8728 27 A 3.9406 7.9394 119.7637 55.1909 18.3229 179.0781 28 E 3.8834 8.0158 116.1753 59.6953 29.5528 179.6057 29 I 3.6870 8.4239 120.2427 64.7635 37.2979 178.3605 30 E 4.1539 8.3881 118.6749 58.6090 29.1826 179.3911 31 S 4.0772 8.3425 114.3276 61.3137 62.3982 175.4162 32 E 4.2444 8.7414 119.9344 58.2599 29.4764 177.7333 33 M 4.8645 7.6387 118.8457 58.1516 32.6082 176.9440 34 N 4.7901 8.0288 113.6878 53.0213 39.3194 175.3004 35 E 4.1107 6.9801 119.6921 56.2899 30.2012 176.0518 36 D 4.5669 8.3679 120.6151 54.6211 41.5465 175.8559 37 H 4.9804 8.6794 120.0356 53.7978 32.0172 174.2274 38 A 4.6862 8.5159 123.0013 51.5916 18.3649 176.9494 39 C 4.0892 9.4869 124.1590 60.1347 31.8023 172.4136 40 P 4.2433 0.0000 0.0000 65.6841 31.2050 177.7533 41 N 4.3132 7.9715 112.6271 52.9821 39.1795 174.8774 42 C 5.1131 7.0209 113.1858 58.8398 33.0618 175.4278 43 G 4.1169 8.6214 107.0035 45.6686 0.0000 171.5666 44 E 4.1353 8.2072 120.9579 55.3414 31.1437 176.1779 45 D 5.8023 8.0994 122.5461 53.6383 40.3943 176.9252 46 R 4.7241 7.7914 112.6633 55.9872 32.1787 176.5911 47 V 4.8150 8.1154 119.3071 62.4503 32.6342 174.7892 48 D 5.3171 9.4141 127.3217 52.3082 44.9400 175.3850 49 R 3.6226 8.7727 122.0957 56.2127 30.6852 176.1412 50 Q 4.2581 8.4718 124.2085 56.8977 30.5667 175.5456 51 G 3.7212 6.6691 103.5274 45.4794 0.0000 171.5277 52 T 3.6144 8.4632 117.3562 64.8463 68.4391 174.4414 53 G 4.3183 8.5618 114.2334 46.4823 0.0000 171.4512 54 I 4.6559 7.0633 120.8362 58.9007 39.8596 174.8696 55 W 5.0205 8.6725 126.4060 55.0004 33.2517 174.2547 56 Q 5.6982 8.9320 121.3714 55.3292 32.7742 172.9567 57 C 5.2442 9.0461 126.8028 57.9683 32.1031 174.2054 58 S 4.1868 8.8941 122.8875 61.3027 62.2808 174.9533 59 Y 4.4165 7.8325 122.2914 59.5056 38.5517 175.5256 60 C 4.2724 7.9473 111.1375 57.2863 30.1883 173.6935 61 D 4.5225 8.2429 117.5662 55.8304 38.6279 173.0767 62 Y 4.6190 7.5935 122.1049 57.3032 39.4305 173.9307 63 K 4.9925 8.5419 129.2789 55.1777 33.5410 175.3545 64 F 4.9307 9.0322 121.8527 55.8964 41.8283 173.1449 65 T 4.7837 8.5598 109.4916 61.3863 70.0808 175.0568 66 G 4.3287 7.7867 109.5262 46.8389 0.0000 172.4006 67 G 4.1105 8.4780 111.8858 44.9493 0.0000 174.7435 68 S 4.0065 8.4056 114.8055 60.6588 62.8745 175.2671 69 Y 4.9785 7.8306 115.3136 57.2688 40.4662 175.2197 70 K 4.8136 7.9989 118.4411 53.5377 35.4771 175.2660 71 P 2.9700 0.0000 0.0000 64.1125 31.6086 176.0537 72 E 4.8639 7.6286 117.4060 53.9558 33.0852 175.3555 73 T 4.7010 8.0701 112.3827 58.9908 72.6869 173.4392 74 P 4.3431 0.0000 0.0000 66.1100 31.8166 178.9162 75 G 3.8388 8.1544 103.8738 47.6878 0.0000 175.8285 76 G 3.6825 8.0476 108.0141 47.5243 0.0000 175.8042 77 K 4.2398 7.9968 119.2660 58.8135 32.3495 179.2002 78 T 4.0790 7.6970 116.4016 66.0662 68.1777 176.6279 79 V 3.6569 7.1253 118.7284 66.2839 31.4241 177.0271 80 R 4.0157 8.1141 116.1531 59.4937 30.8566 178.1132 81 R 3.3500 7.7010 108.4670 59.9984 29.8275 176.9281 82 S 4.2957 9.0659 119.7454 59.4267 62.6364 175.2013 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 10 R 8.11 4.23 0.00 1.97 2.10 0.00 2.93 0.00 0.00 3.33 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 11 S 8.47 3.62 0.00 4.11 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 0.00 12 G 7.88 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 13 R 7.63 4.09 0.00 1.88 1.97 0.00 2.87 0.00 0.00 3.04 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.21 0.00 14 F 8.36 5.05 0.00 3.54 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 15 G 7.56 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.50 4.48 1.23 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 0.00 0.00 17 R 7.10 4.18 0.00 0.67 0.66 0.00 2.87 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.27 0.00 18 Y 8.18 4.19 0.00 3.05 2.94 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 19 G 8.29 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 3.65 0.00 1.83 1.89 0.00 3.27 0.00 0.00 3.16 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 21 V 7.79 3.54 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 1.07 0.00 0.00 0.94 0.00 0.00 22 S 8.11 4.17 0.00 3.91 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 23 R 7.61 4.79 0.00 2.37 2.37 0.00 3.42 0.00 0.00 3.38 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.61 0.00 24 R 8.46 4.43 0.00 1.95 2.04 0.00 3.11 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 25 R 7.81 3.96 0.00 1.88 1.93 0.00 3.19 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.83 0.00 26 V 7.64 3.41 2.25 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 1.21 0.00 0.00 1.14 0.00 0.00 27 A 7.94 3.94 1.37 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 0.00 0.00 0.00 28 E 8.02 3.88 0.00 2.19 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 2.51 0.00 29 I 8.42 3.69 1.82 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.45 0.49 0.00 0.00 30 E 8.39 4.15 0.00 2.06 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 0.00 2.30 2.41 0.00 31 S 8.34 4.08 0.00 3.98 4.03 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 0.00 0.00 0.00 32 E 8.74 4.24 0.00 2.07 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 2.38 2.35 0.00 33 M 7.64 4.86 0.00 2.25 2.48 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.08 2.71 0.00 34 N 8.03 4.79 0.00 2.81 2.89 0.00 0.00 7.08 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 35 E 6.98 4.11 0.00 1.99 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 2.39 2.47 0.00 36 D 8.37 4.57 0.00 2.53 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 37 H 8.68 4.98 0.00 3.08 3.12 0.00 5.61 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 38 A 8.52 4.69 1.23 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 0.00 0.00 39 C 9.49 4.09 0.00 3.01 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 40 P 0.00 4.24 0.00 1.99 1.91 0.00 3.31 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 1.37 1.85 0.00 41 N 7.97 4.31 0.00 1.71 2.59 0.00 0.00 6.85 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 42 C 7.02 5.11 0.00 3.24 2.61 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 43 G 8.62 4.12 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 0.00 0.00 0.00 44 E 8.21 4.14 0.00 2.18 1.87 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 1.85 2.22 0.00 45 D 8.10 5.80 0.00 2.58 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.79 4.72 0.00 1.86 1.99 0.00 3.19 0.00 0.00 3.37 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 47 V 8.12 4.82 2.29 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 1.10 0.00 0.00 1.19 0.00 0.00 48 D 9.41 5.32 0.00 2.65 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.77 3.62 0.00 0.94 1.47 0.00 2.92 0.00 0.00 2.92 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.50 0.00 50 Q 8.47 4.26 0.00 1.76 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.49 0.00 0.00 0.00 0.00 0.00 2.18 2.33 0.00 51 G 6.67 3.72 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 0.00 0.00 0.00 52 T 8.46 3.61 4.12 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 1.05 0.00 0.00 53 G 8.56 4.32 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 0.00 0.00 0.00 54 I 7.06 4.66 1.59 0.00 0.00 0.75 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 1.05 0.72 0.00 0.00 55 W 8.67 5.02 0.00 1.78 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.93 5.70 0.00 2.11 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 57 C 9.05 5.24 0.00 3.32 3.05 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 0.00 0.00 0.00 58 S 8.89 4.19 0.00 4.12 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 59 Y 7.83 4.42 0.00 2.87 3.03 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 0.00 0.00 0.00 60 C 7.95 4.27 0.00 2.96 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 61 D 8.24 4.52 0.00 2.88 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 62 Y 7.59 4.62 0.00 3.20 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 63 K 8.54 4.99 0.00 1.80 1.65 0.00 1.81 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.37 7.81 64 F 9.03 4.93 0.00 2.96 2.25 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 65 T 8.56 4.78 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 1.21 0.00 0.00 66 G 7.79 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 0.00 0.00 0.00 0.00 67 G 8.48 4.11 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 0.00 68 S 8.41 4.01 0.00 3.22 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.83 4.98 0.00 3.18 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 70 K 8.00 4.81 0.00 1.86 1.57 0.00 1.81 0.00 0.00 1.96 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.59 1.51 7.81 71 P 0.00 2.97 0.00 1.75 0.62 0.00 3.01 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.11 0.00 72 E 7.63 4.86 0.00 1.85 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00 73 T 8.07 4.70 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 1.24 0.00 0.00 74 P 0.00 4.34 0.00 2.05 2.19 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.18 0.00 75 G 8.15 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 76 G 8.05 3.68 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 0.00 0.00 0.00 77 K 8.00 4.24 0.00 1.89 1.88 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.17 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.66 7.81 78 T 7.70 4.08 4.49 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 1.21 0.00 0.00 79 V 7.13 3.66 2.19 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 0.76 0.00 0.00 0.97 0.00 0.00 80 R 8.11 4.02 0.00 1.95 1.99 0.00 3.30 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 81 R 7.70 3.35 0.00 2.06 1.78 0.00 3.19 0.00 0.00 3.27 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 82 S 9.07 4.30 0.00 3.97 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