NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.7393 8.5398 119.8976 56.5981 33.8754 174.1539 2 K 4.4599 8.9878 121.0527 55.2464 35.8827 173.3221 3 N 4.9889 9.7176 115.8655 50.6223 42.3911 175.7664 4 G 3.5786 6.1332 109.0375 44.2514 0.0000 171.3689 5 Y 4.8746 7.8230 117.1211 56.2848 38.5276 175.3370 6 A 4.2143 8.2826 127.3974 51.8464 18.7884 176.8942 7 V 4.5426 7.8877 116.3950 59.6557 34.4171 176.3652 8 D 4.9004 8.4009 122.8081 52.3067 41.4481 176.8968 9 S 4.1143 8.7170 112.5864 61.8768 62.7221 175.1551 10 S 4.3976 8.2831 114.1272 57.9179 62.8594 173.6727 11 G 3.8236 8.2307 108.6404 46.9376 0.0000 174.2377 12 K 4.4955 8.4257 118.7043 54.0363 34.4894 176.8324 13 V 4.2147 8.1584 123.1175 62.1621 32.6084 174.7155 14 A 4.5104 8.3515 126.2458 51.5272 19.7500 177.0084 15 E 4.8785 8.8321 122.2874 56.3627 31.1956 174.2661 16 C 4.8217 8.5088 114.5703 55.2490 45.0394 174.2411 17 L 4.1949 8.6937 118.6136 54.3914 43.5395 176.7250 18 F 5.0061 7.8686 115.5562 55.0077 43.3481 175.8912 19 N 4.6967 8.8425 119.0084 56.6526 38.6104 177.0721 20 N 4.3211 8.4848 118.0311 57.1691 39.0321 175.8104 21 Y 4.1795 8.2686 120.1111 61.1256 38.7907 178.8126 22 C 4.3224 7.9384 117.8382 59.9121 34.4852 175.4986 23 N 4.4363 8.5743 120.4627 56.2333 38.4151 176.7580 24 N 4.3524 8.2449 117.9647 56.0958 38.6096 177.2749 25 E 3.7365 7.7872 119.6074 59.6050 29.5810 178.4613 26 C 4.3407 8.4671 117.0460 60.4916 34.7362 176.5469 27 T 4.2823 7.6641 111.6993 63.9801 68.5299 177.1870 28 K 3.9452 8.0051 120.5653 58.7196 32.2851 178.9704 29 V 3.4028 7.7116 117.2392 64.1593 31.7244 176.5803 30 Y 4.4365 7.1451 112.3514 56.4365 38.8992 174.7344 31 Y 4.1346 7.6647 115.0664 57.9116 35.3556 170.1791 32 A 4.7593 8.2403 121.0603 50.5705 20.6604 179.1971 33 D 4.5359 9.2436 118.8385 57.3461 42.1682 176.9240 34 K 4.6118 7.5764 115.5039 56.9857 35.2445 173.7650 35 G 4.7308 8.1391 105.2699 46.7820 0.0000 171.7884 36 Y 5.0152 8.8630 118.0219 56.1273 42.2475 173.1118 37 C 4.8613 9.4244 120.7350 55.6849 38.3521 171.7316 38 C 4.2951 8.6287 126.9650 55.2078 44.0884 173.8726 39 L 3.6767 9.2260 129.3278 56.2816 38.9009 174.6516 40 L 4.0642 7.7664 110.8454 54.6538 39.9167 174.5281 41 K 5.0409 7.7164 116.5546 54.7312 36.6532 175.1185 42 C 4.9537 9.3766 121.9618 57.4889 42.3539 171.8755 43 Y 4.5935 9.3927 126.6236 56.0014 40.3810 173.5589 44 C 5.3919 8.3525 124.4108 55.2945 43.2643 172.5864 45 F 4.7473 9.7137 122.0251 56.1441 40.8707 176.2950 46 G 4.1646 8.6867 110.9185 47.5546 0.0000 173.4013 47 L 4.2256 8.3973 118.7011 53.3088 42.9577 176.9197 48 A 4.4596 8.2705 123.2022 51.8967 19.1418 178.4303 49 D 4.3447 8.9057 121.3145 57.5559 40.9971 178.2046 50 D 4.8479 7.9405 115.3113 53.0438 39.7362 176.1237 51 K 4.2359 7.9850 120.4057 55.6233 32.9296 175.0288 52 P 4.4729 0.0000 0.0000 62.6986 32.2644 175.8013 53 V 4.8389 8.0936 116.5099 58.9264 35.3567 175.3053 54 L 4.1000 8.7197 125.3949 55.2435 42.9853 176.3803 55 D 4.6545 8.5881 123.8974 53.2002 40.9930 175.4747 56 I 4.6470 7.9252 119.0361 57.7497 41.0668 175.7965 57 W 4.6383 8.1029 120.6242 56.9251 30.9390 177.3349 58 D 4.5788 8.8565 120.8883 57.1436 40.2401 179.1473 59 S 4.3405 8.2565 114.8221 61.3920 63.3276 176.5016 60 T 4.0069 8.1352 118.9186 66.3732 68.3178 176.2454 61 K 3.9014 8.2361 121.5184 59.5494 32.2295 178.5561 62 N 4.3302 8.1720 116.6701 56.4497 38.3081 176.4751 63 Y 4.2141 8.6042 120.5854 61.2740 39.2403 177.5384 64 C 4.2475 8.2915 118.8179 59.3589 37.2452 175.6967 65 D 4.6158 8.4225 120.9198 57.5356 40.3786 178.8100 66 V 3.8631 7.6357 110.3026 62.5571 31.1327 177.9579 67 Q 3.8499 7.7154 120.2572 59.0920 28.9662 177.1547 68 I 3.4370 7.0274 111.9786 63.3952 37.6774 176.7968 69 I 3.4412 6.9075 119.7978 61.8311 37.2440 174.4873 70 D 4.7223 8.3985 124.6901 52.2861 41.6342 176.1267 71 L 4.1119 8.5616 127.6475 56.6821 42.0834 177.4598 72 S 4.3734 8.3874 118.0825 58.2015 63.0829 173.8095 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 K 8.54 4.74 0.00 1.68 1.83 0.00 1.83 0.00 0.00 2.38 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.31 7.81 2 K 8.99 4.46 0.00 1.81 1.83 0.00 1.21 0.00 0.00 1.62 0.00 0.00 3.14 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.26 1.38 7.81 3 N 9.72 4.99 0.00 2.53 2.06 0.00 0.00 6.80 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 4 G 6.13 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 Y 7.82 4.87 0.00 2.86 2.79 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 6 A 8.28 4.21 0.11 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 7 V 7.89 4.54 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 0.70 0.00 0.00 0.90 0.00 0.00 8 D 8.40 4.90 0.00 2.99 2.96 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 0.00 0.00 0.00 9 S 8.72 4.11 0.00 4.01 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 10 S 8.28 4.40 0.00 3.99 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 11 G 8.23 3.82 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 0.00 0.00 0.00 12 K 8.43 4.50 0.00 2.09 1.70 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.56 1.48 7.81 13 V 8.16 4.21 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 0.75 0.00 0.00 0.80 0.00 0.00 14 A 8.35 4.51 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.83 4.88 0.00 1.86 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 2.24 2.28 0.00 16 C 8.51 4.82 0.00 3.15 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.69 4.19 0.00 1.53 1.61 0.81 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 18 F 7.87 5.01 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 19 N 8.84 4.70 0.00 2.90 3.07 0.00 0.00 6.56 6.92 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 20 N 8.48 4.32 0.00 2.84 2.94 0.00 0.00 6.78 7.56 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 21 Y 8.27 4.18 0.00 3.19 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 22 C 7.94 4.32 0.00 3.54 3.23 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 23 N 8.57 4.44 0.00 2.94 3.02 0.00 0.00 6.86 6.41 0.00 0.00 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 8.24 4.35 0.00 2.86 2.75 0.00 0.00 7.00 7.11 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 25 E 7.79 3.74 0.00 2.03 1.98 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 1.72 2.10 0.00 26 C 8.47 4.34 0.00 3.07 3.23 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 27 T 7.66 4.28 4.29 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 0.00 0.00 0.00 1.35 0.00 0.00 28 K 8.01 3.95 0.00 1.77 1.82 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.46 7.81 29 V 7.71 3.40 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 0.65 0.00 0.00 30 Y 7.15 4.44 0.00 3.07 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 31 Y 7.66 4.13 0.00 3.17 2.96 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 0.00 0.00 0.00 32 A 8.24 4.76 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 33 D 9.24 4.54 0.00 2.89 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 34 K 7.58 4.61 0.00 1.80 1.90 0.00 1.18 0.00 0.00 1.66 0.00 0.00 2.76 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.29 1.32 7.81 35 G 8.14 4.73 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 36 Y 8.86 5.02 0.00 3.32 3.08 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 37 C 9.42 4.86 0.00 3.23 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 C 8.63 4.30 0.00 2.12 2.67 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 0.00 0.00 0.00 0.00 39 L 9.23 3.68 0.00 1.87 1.68 0.98 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.77 4.06 0.00 1.80 1.69 0.87 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.72 5.04 0.00 1.30 1.41 0.00 0.86 0.00 0.00 0.99 0.00 0.00 2.55 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.15 1.20 7.81 42 C 9.38 4.95 0.00 2.99 3.12 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 43 Y 9.39 4.59 0.00 2.56 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 C 8.35 5.39 0.00 2.67 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 45 F 9.71 4.75 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 46 G 8.69 4.16 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 0.00 0.00 0.00 47 L 8.40 4.23 0.00 1.69 1.55 0.73 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.27 4.46 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 49 D 8.91 4.34 0.00 2.75 2.76 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 50 D 7.94 4.85 0.00 2.79 2.76 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 51 K 7.98 4.24 0.00 1.84 1.74 0.00 1.84 0.00 0.00 1.78 0.00 0.00 3.13 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.57 1.60 7.81 52 P 0.00 4.47 0.00 2.04 1.96 0.00 3.53 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 53 V 8.09 4.84 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 0.52 0.00 0.00 0.89 0.00 0.00 54 L 8.72 4.10 0.00 1.63 1.68 0.86 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 55 D 8.59 4.65 0.00 2.69 2.60 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 56 I 7.93 4.65 1.90 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.95 1.05 0.00 0.00 57 W 8.10 4.64 0.00 3.49 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.86 4.58 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 59 S 8.26 4.34 0.00 4.16 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 60 T 8.14 4.01 4.47 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 0.00 0.00 0.00 1.28 0.00 0.00 61 K 8.24 3.90 0.00 1.92 2.04 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.70 1.61 7.81 62 N 8.17 4.33 0.00 3.12 2.92 0.00 0.00 6.65 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 8.60 4.21 0.00 2.93 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 64 C 8.29 4.25 0.00 1.77 1.60 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 65 D 8.42 4.62 0.00 2.89 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 66 V 7.64 3.86 2.06 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 1.03 0.00 0.00 0.88 0.00 0.00 67 Q 7.72 3.85 0.00 1.70 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.97 0.00 0.00 0.00 0.00 0.00 1.16 1.74 0.00 68 I 7.03 3.44 1.65 0.00 0.00 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 1.56 0.67 -0.08 0.00 0.00 69 I 6.91 3.44 2.06 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 1.18 0.39 0.88 0.00 0.00 70 D 8.40 4.72 0.00 2.56 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.56 4.11 0.00 1.66 1.71 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.39 4.37 0.00 3.93 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