NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4593 8.1633 118.3249 55.2627 33.5501 173.5942 2 Q 4.7806 8.2037 118.4013 52.9165 30.6888 173.4638 3 I 4.4232 9.0125 117.2347 58.9548 42.1019 173.6652 4 F 5.4751 8.5053 120.8155 55.7578 42.3128 174.9288 5 V 4.8048 9.0087 121.9470 61.1808 34.5194 174.1077 6 K 5.1649 9.0106 128.2765 54.8350 34.3135 176.4922 7 T 4.7452 9.1989 116.0056 61.0479 70.0314 175.9886 8 L 4.1101 8.2543 122.6784 57.7156 41.7183 178.5516 9 T 4.1574 7.8728 106.8269 61.8617 68.7368 175.2824 10 G 3.8885 8.2349 110.1395 45.2397 0.0000 173.1206 11 K 4.4301 8.1428 121.9242 55.4096 33.7368 175.3305 12 T 5.1694 8.5246 123.8954 61.7907 70.5772 173.6427 13 I 4.7556 9.0684 119.1879 59.4075 41.4904 174.1320 14 T 5.1413 8.5360 119.2089 61.9681 70.4949 173.8774 15 L 4.8342 8.8584 125.9576 52.9199 45.4476 175.1528 16 E 5.0552 8.6364 121.0743 55.0413 31.0981 175.6114 17 V 4.6842 8.7134 117.3753 60.0085 36.5481 174.1958 18 E 4.7065 9.1346 119.7041 53.9815 32.7779 175.9369 19 P 4.1359 0.0000 0.0000 65.9027 31.5271 178.4848 20 S 4.3320 7.8999 110.2399 59.6705 63.7096 174.2169 21 D 4.5435 8.1324 123.6558 54.4779 41.2585 176.3288 22 T 4.6684 8.3672 114.2255 61.3035 71.1405 176.0638 23 I 3.7427 8.3925 122.7958 64.3399 37.0594 178.2935 24 E 3.9344 8.4007 120.5421 59.5317 29.5065 178.6999 25 N 4.3296 8.1023 116.2993 56.3580 38.6125 177.5829 26 V 3.5928 7.9064 119.5451 65.9492 31.5418 178.1856 27 K 4.3262 8.8528 119.7750 58.9117 31.7801 179.1194 28 A 3.9903 8.1366 121.0298 55.0679 18.3628 179.8996 29 K 4.0888 7.9850 116.6033 59.6213 32.0581 179.6219 30 I 3.7211 7.8160 120.1730 64.3927 36.9223 178.2253 31 Q 4.1143 8.4122 120.6765 59.3448 28.6577 177.8523 32 D 4.3574 8.0387 119.0490 57.3087 40.9190 178.4949 33 K 4.2971 7.6945 116.8419 57.6068 32.7134 177.3753 34 E 4.4898 8.4391 115.4301 55.1574 31.2428 176.9160 35 G 3.8557 8.4659 107.1125 45.6204 0.0000 173.1792 36 I 4.2589 7.4235 120.3011 58.7746 38.2235 174.0570 37 P 4.6260 0.0000 0.0000 61.6239 32.2392 175.5211 38 P 4.2672 0.0000 0.0000 66.0782 31.3820 178.4786 39 D 4.4185 8.0899 116.0287 56.7681 41.0010 176.8936 40 Q 4.7221 8.1794 116.4160 54.9820 29.1670 174.5027 41 Q 5.0075 7.9463 118.3112 54.1924 31.7550 174.8348 42 R 4.6870 8.8074 121.1940 54.5009 33.7725 174.4782 43 L 5.1865 8.5272 123.3603 53.3341 44.6927 175.4963 44 I 5.1154 8.6854 122.0717 59.6535 41.4164 174.2190 45 F 5.0702 8.7018 128.0617 56.8546 42.9683 174.3813 46 A 3.2966 8.9980 127.5023 53.1415 15.8991 177.9816 47 G 3.8913 8.4668 106.2417 46.4528 0.0000 173.9026 48 K 4.5227 7.6250 120.8688 53.7631 34.5687 174.8341 49 Q 4.5357 8.6057 127.3124 56.5052 29.3749 175.6603 50 L 4.3116 8.7531 126.9005 54.1255 43.5688 175.8100 51 E 4.5606 9.4270 121.1462 55.0372 30.9899 176.9903 52 D 4.4730 9.1373 124.5225 57.6016 41.0387 179.0565 53 G 3.7493 7.9519 104.5582 46.3972 0.0000 173.8697 54 R 4.3460 7.8750 119.6583 55.7429 31.0902 175.5049 55 T 4.9545 8.5103 110.6115 60.0524 72.2362 175.6482 56 L 4.0351 8.3919 121.3540 57.9739 41.5033 179.9042 57 S 4.0233 8.0345 113.0293 61.5586 62.1250 175.6855 58 D 4.2593 7.7976 120.4182 57.2207 40.5900 177.7455 59 Y 4.6006 7.2180 113.4211 56.5092 38.6434 174.8222 60 N 4.1231 8.0287 117.4574 54.4637 38.0028 174.0962 61 I 3.6883 7.8111 117.9089 60.2173 38.0268 175.6883 62 Q 4.6816 8.1934 124.7276 53.0589 31.8484 174.4275 63 K 3.9906 8.5191 118.9036 58.8103 32.1618 176.0841 64 E 3.4374 9.3945 124.5243 57.1448 27.9419 174.8505 65 S 4.5346 7.8365 115.2495 59.1461 64.3098 173.2764 66 T 5.2210 8.6759 118.3329 62.1265 70.3992 174.0089 67 L 4.9822 9.0006 126.7944 53.9036 44.5205 175.2317 68 H 5.4632 9.1972 117.8065 54.0877 32.0861 173.2548 69 L 5.2093 8.8630 122.6820 53.4831 45.1864 175.6829 70 V 4.6699 8.5250 118.1427 59.4169 35.8397 175.0428 71 L 4.7204 8.4900 122.6277 54.6060 42.8951 176.9266 72 R 4.4457 9.0399 122.6055 54.8194 31.9487 174.6409 73 L 4.6144 8.3983 125.3347 52.8545 44.3826 176.1247 74 R 4.4844 8.5748 118.4013 55.9060 31.9543 176.8206 75 G 4.0259 10.3516 111.9637 45.2081 0.0000 173.3355 76 G 3.7081 7.5017 112.6683 45.8791 0.0000 172.5269 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 M 8.16 4.46 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.68 0.00 2 Q 8.20 4.78 0.00 1.92 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.74 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 3 I 9.01 4.42 1.71 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.12 0.80 0.00 0.00 4 F 8.51 5.48 0.00 3.12 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 5 V 9.01 4.80 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 0.94 0.00 0.00 0.93 0.00 0.00 6 K 9.01 5.16 0.00 1.70 1.67 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.46 7.81 7 T 9.20 4.75 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 1.27 0.00 0.00 8 L 8.25 4.11 0.00 1.62 1.78 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.87 4.16 4.25 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 1.22 0.00 0.00 10 G 8.23 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 11 K 8.14 4.43 0.00 1.87 1.69 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.41 7.81 12 T 8.52 5.17 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 1.20 0.00 0.00 13 I 9.07 4.76 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.34 0.96 0.00 0.00 14 T 8.54 5.14 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 1.22 0.00 0.00 15 L 8.86 4.83 0.00 1.53 1.46 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.64 5.06 0.00 1.80 1.84 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 2.20 2.23 0.00 17 V 8.71 4.68 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 0.63 0.00 0.00 0.89 0.00 0.00 18 E 9.13 4.71 0.00 1.81 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 2.18 2.37 0.00 19 P 0.00 4.14 0.00 2.14 2.10 0.00 3.56 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 20 S 7.90 4.33 0.00 3.96 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 21 D 8.13 4.54 0.00 2.80 2.62 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 22 T 8.37 4.67 4.48 0.00 0.00 0.00 0.00 0.00 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 23 I 8.39 3.74 2.03 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.91 0.92 0.00 0.00 24 E 8.40 3.93 0.00 2.17 1.96 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 2.32 2.41 0.00 25 N 8.10 4.33 0.00 3.05 2.84 0.00 0.00 6.70 7.61 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 26 V 7.91 3.59 2.20 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 1.01 0.00 0.00 0.98 0.00 0.00 27 K 8.85 4.33 0.00 1.95 1.85 0.00 1.74 0.00 0.00 1.91 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.61 1.53 7.81 28 A 8.14 3.99 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 29 K 7.98 4.09 0.00 1.99 1.86 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.65 7.81 30 I 7.82 3.72 2.14 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.79 0.92 0.00 0.00 31 Q 8.41 4.11 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 32 D 8.04 4.36 0.00 2.85 2.73 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 33 K 7.69 4.30 0.00 1.76 1.86 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.16 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.68 7.81 34 E 8.44 4.49 0.00 2.01 1.94 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 2.23 2.36 0.00 35 G 8.47 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 0.00 0.00 0.00 36 I 7.42 4.26 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.78 0.92 0.00 0.00 37 P 0.00 4.63 0.00 2.38 1.96 0.00 3.63 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 38 P 0.00 4.27 0.00 2.17 2.21 0.00 3.60 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 39 D 8.09 4.42 0.00 2.65 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 0.00 40 Q 8.18 4.72 0.00 2.30 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 41 Q 7.95 5.01 0.00 2.17 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.68 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.50 0.00 42 R 8.81 4.69 0.00 1.69 1.78 0.00 3.27 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 43 L 8.53 5.19 0.00 1.56 1.53 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.69 5.12 1.92 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.82 0.94 0.00 0.00 45 F 8.70 5.07 0.00 2.97 2.73 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 46 A 9.00 3.30 0.99 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 0.00 0.00 47 G 8.47 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 48 K 7.63 4.52 0.00 1.79 1.77 0.00 1.72 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.35 7.81 49 Q 8.61 4.54 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 50 L 8.75 4.31 0.00 1.38 1.16 0.66 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.43 4.56 0.00 2.02 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 0.00 2.33 2.40 0.00 52 D 9.14 4.47 0.00 2.75 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 53 G 7.95 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 54 R 7.87 4.35 0.00 1.99 1.62 0.00 2.98 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 55 T 8.51 4.95 4.46 0.00 0.00 0.00 0.00 0.00 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 56 L 8.39 4.04 0.00 1.87 1.70 0.93 0.68 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 57 S 8.03 4.02 0.00 3.96 3.81 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 0.00 0.00 0.00 58 D 7.80 4.26 0.00 2.52 2.24 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 59 Y 7.22 4.60 0.00 2.97 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 60 N 8.03 4.12 0.00 2.88 2.98 0.00 0.00 7.11 7.55 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 61 I 7.81 3.69 1.76 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.08 0.60 0.00 0.00 62 Q 8.19 4.68 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.91 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 63 K 8.52 3.99 0.00 1.67 1.72 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.43 7.81 64 E 9.39 3.44 0.00 2.16 2.30 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 2.28 2.18 0.00 65 S 7.84 4.53 0.00 3.77 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 66 T 8.68 5.22 4.36 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 1.21 0.00 0.00 67 L 9.00 4.98 0.00 1.60 1.61 0.86 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.20 5.46 0.00 3.11 3.20 0.00 5.75 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.86 5.21 0.00 1.73 1.48 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.52 4.67 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 0.71 0.00 0.00 0.99 0.00 0.00 71 L 8.49 4.72 0.00 1.53 1.59 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 72 R 9.04 4.45 0.00 1.78 1.78 0.00 3.22 0.00 0.00 3.17 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.71 0.00 73 L 8.40 4.61 0.00 1.82 1.57 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.57 4.48 0.00 1.76 1.82 0.00 3.36 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 75 G 10.35 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 0.00 0.00 0.00 76 G 7.50 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