NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.2861 8.2644 123.5781 52.1717 19.9439 175.5339 1 M 4.5223 8.3549 118.9518 52.6677 34.7641 173.7921 2 D 4.7586 9.0711 124.7035 51.7192 46.0980 175.7857 3 S 4.1414 8.7253 122.8955 61.9556 62.9857 176.6059 4 N 4.3591 8.2096 118.6094 56.5062 38.3339 177.4072 5 T 3.9311 8.4471 117.3773 66.8373 68.5315 176.6138 6 M 4.1076 8.1114 120.4306 58.6823 32.1110 178.9604 7 S 4.6362 8.2167 116.7649 61.3319 63.0049 177.0923 8 S 4.2128 8.6752 118.2589 61.4070 62.4607 176.5532 9 F 4.2288 8.3878 123.5097 61.3239 39.0443 177.2679 10 Q 3.9471 8.2953 117.7127 58.9753 28.4648 179.0052 11 V 3.6851 7.8883 119.1768 66.1948 31.6304 177.7712 12 D 4.3951 8.2254 118.6206 57.5118 40.6351 178.6762 13 C 4.0486 8.0686 117.4266 62.7976 28.1191 175.9626 14 F 4.4245 8.3599 122.2498 61.3028 38.9562 177.2436 15 L 3.8620 8.4676 119.1288 57.1430 41.3101 179.2341 16 W 3.9187 8.3556 128.7135 60.4948 30.6343 177.4241 17 H 4.2069 8.4338 118.2330 59.3127 29.2772 177.2838 18 I 3.4223 7.3171 121.3551 64.4433 36.8659 178.5798 19 R 4.0455 7.6416 118.8140 59.1126 29.8161 179.1148 20 K 3.5306 7.6988 119.7039 59.3967 32.1102 179.0658 21 R 3.9015 7.8120 118.3562 59.0805 29.6304 178.8566 22 F 4.0631 8.3325 120.1546 61.2374 39.3760 176.9618 23 A 3.9600 8.3795 120.6090 55.3472 17.9520 179.1669 24 D 4.2888 8.2477 116.5588 57.6385 41.0323 178.3453 25 N 4.5331 7.6543 113.1968 53.3136 38.4716 175.3900 26 G 3.7229 7.7792 108.6134 46.6470 0.0000 174.6362 27 L 4.0670 6.7997 117.8138 54.0231 42.5291 177.5818 28 G 3.6724 7.2838 107.7489 44.8906 0.0000 173.7312 29 D 4.7406 8.2965 121.5470 51.6156 42.7974 177.3986 30 A 4.0183 8.3587 120.1167 55.0988 18.2720 177.9695 31 P 4.2641 0.0000 0.0000 65.4565 31.4006 178.6947 32 F 4.0478 8.5922 119.7085 61.4065 39.3776 177.3243 33 L 4.1392 8.2478 118.6486 57.5680 41.3448 179.0927 34 D 4.3013 8.3011 118.2500 57.4619 41.1870 178.4870 35 R 3.9033 8.1610 118.8033 59.0557 30.1254 178.7582 36 L 3.9062 7.7824 120.1680 58.0298 41.5358 179.1076 37 R 3.9988 8.0402 118.5488 59.6216 30.1256 178.6411 38 R 3.9733 8.1178 117.8523 59.5475 29.9994 178.9020 39 D 4.4230 8.6565 119.0581 57.2009 40.8038 178.5579 40 Q 3.1938 8.1627 119.8920 58.7385 29.0001 178.3209 41 K 3.8811 7.6770 119.8261 59.7112 32.2106 178.9800 42 S 4.1541 8.0583 115.4184 61.6124 62.6410 176.7634 43 L 4.1568 8.2451 122.0883 57.5394 41.2987 179.6507 44 K 4.0462 8.1383 118.6919 59.4399 32.0031 179.5721 45 G 3.6023 8.0520 105.9342 47.9156 0.0000 175.9597 46 R 3.9496 8.3705 120.8894 58.8962 30.0375 179.4454 47 G 3.1828 8.2534 105.7023 47.3536 0.0000 175.4257 48 N 4.2373 8.0462 119.2993 56.8959 38.8252 177.1075 49 T 3.8133 7.6537 115.8325 66.5881 68.6284 176.0777 50 L 4.1661 7.7087 119.0247 54.6313 41.9576 177.1330 51 G 3.7944 7.6369 105.7940 46.6438 0.0000 173.3276 52 L 4.7916 7.9469 118.9812 51.9408 45.0081 176.9982 53 D 4.7365 8.4787 122.8110 52.7523 41.8114 177.6257 54 I 3.6951 8.3707 123.3799 64.5076 37.0969 178.0273 55 E 3.9494 8.2654 119.8410 59.7960 29.4432 178.9986 56 T 3.9038 8.1596 109.1039 64.6907 68.8766 176.3065 57 A 4.0425 8.0495 123.5196 55.2057 18.3666 179.6952 58 T 3.9023 8.2648 114.5622 66.8969 68.4153 176.8856 59 L 3.9705 7.6980 120.9801 57.6793 41.5130 179.8002 60 V 3.6670 7.9691 118.4892 65.7237 31.5121 178.1642 61 G 3.6982 8.4663 106.0306 47.7420 0.0000 175.4634 62 K 2.4800 7.6012 121.7536 58.8353 32.1105 179.0119 63 Q 3.9390 7.5753 118.3341 58.7493 28.5071 178.8329 64 I 3.7167 7.9578 121.1850 64.3553 37.2282 178.5342 65 V 3.6481 7.7577 118.9280 66.1927 31.4718 177.7290 66 E 3.9858 8.3771 118.5388 59.2208 29.2706 179.2888 67 W 3.9818 8.4237 128.2200 60.4096 30.6509 177.9187 68 I 3.7804 8.1080 119.8110 64.7316 36.4321 178.5195 69 L 3.9690 7.8547 118.0999 57.2698 41.4447 179.0012 70 K 4.0975 7.6616 118.4490 58.0896 32.4866 177.1994 71 E 4.1180 8.0651 115.8389 54.8616 32.0597 175.5671 72 E 4.2114 7.5392 120.5686 56.7398 31.6492 174.3885 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 0 A 8.26 4.29 1.25 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 0.00 0.00 1 M 8.35 4.52 0.00 2.01 1.90 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.57 0.00 2 D 9.07 4.76 0.00 2.75 2.42 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 3 S 8.73 4.14 0.00 3.90 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 4 N 8.21 4.36 0.00 3.01 2.88 0.00 0.00 7.12 7.05 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 5 T 8.45 3.93 4.43 0.00 0.00 0.00 0.00 0.00 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 6 M 8.11 4.11 0.00 2.12 2.27 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 2.76 2.57 0.00 7 S 8.22 4.64 0.00 4.00 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 8 S 8.68 4.21 0.00 4.07 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 9 F 8.39 4.23 0.00 3.24 3.27 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 0.00 10 Q 8.30 3.95 0.00 2.32 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.57 0.00 11 V 7.89 3.69 2.13 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 1.20 0.00 0.00 0.99 0.00 0.00 12 D 8.23 4.40 0.00 2.88 2.70 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 13 C 8.07 4.05 0.00 2.91 2.85 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 0.00 0.00 0.00 0.00 14 F 8.36 4.42 0.00 3.28 3.21 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 0.00 0.00 0.00 0.00 15 L 8.47 3.86 0.00 1.73 1.66 0.95 0.79 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 16 W 8.36 3.92 0.00 3.48 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 17 H 8.43 4.21 0.00 3.51 3.52 0.00 5.84 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 18 I 7.32 3.42 1.74 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.06 0.76 0.00 0.00 19 R 7.64 4.05 0.00 1.61 1.68 0.00 2.51 0.00 0.00 2.86 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 20 K 7.70 3.53 0.00 0.79 1.39 0.00 1.31 0.00 0.00 1.33 0.00 0.00 3.19 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.37 1.38 7.81 21 R 7.81 3.90 0.00 1.92 1.91 0.00 3.31 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 22 F 8.33 4.06 0.00 2.99 3.21 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 0.00 0.00 0.00 0.00 23 A 8.38 3.96 1.48 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 0.00 0.00 0.00 24 D 8.25 4.29 0.00 2.78 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 N 7.65 4.53 0.00 2.66 2.70 0.00 0.00 7.10 8.33 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 26 G 7.78 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 27 L 6.80 4.07 0.00 0.27 0.81 0.61 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 28 G 7.28 3.67 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 0.00 0.00 0.00 29 D 8.30 4.74 0.00 2.90 2.85 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 0.00 0.00 0.00 0.00 30 A 8.36 4.02 1.36 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 0.00 0.00 0.00 31 P 0.00 4.26 0.00 2.24 2.15 0.00 4.05 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.17 0.00 32 F 8.59 4.05 0.00 3.33 3.31 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 33 L 8.25 4.14 0.00 1.82 1.76 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.30 4.30 0.00 2.90 2.83 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 35 R 8.16 3.90 0.00 1.84 1.84 0.00 3.13 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 36 L 7.78 3.91 0.00 1.56 1.81 -0.01 0.55 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 37 R 8.04 4.00 0.00 2.00 2.13 0.00 3.18 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 38 R 8.12 3.97 0.00 2.16 1.98 0.00 3.19 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 1.66 1.69 0.00 39 D 8.66 4.42 0.00 2.95 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 40 Q 8.16 3.19 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.05 1.46 0.00 41 K 7.68 3.88 0.00 1.88 1.95 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.46 7.81 42 S 8.06 4.15 0.00 4.07 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.25 4.16 0.00 1.64 1.61 0.69 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.14 4.05 0.00 1.95 1.82 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.52 7.81 45 G 8.05 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 0.00 0.00 0.00 46 R 8.37 3.95 0.00 2.23 1.93 0.00 3.20 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 47 G 8.25 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 0.00 0.00 0.00 48 N 8.05 4.24 0.00 2.88 2.89 0.00 0.00 7.15 7.26 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 49 T 7.65 3.81 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 1.15 0.00 0.00 50 L 7.71 4.17 0.00 1.23 1.51 0.50 0.61 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 51 G 7.64 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 0.00 0.00 0.00 52 L 7.95 4.79 0.00 1.42 1.65 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.48 4.74 0.00 2.90 2.81 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 54 I 8.37 3.70 1.86 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.87 0.80 0.00 0.00 55 E 8.27 3.95 0.00 2.05 2.18 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 2.40 2.41 0.00 56 T 8.16 3.90 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 57 A 8.05 4.04 1.46 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 0.00 0.00 0.00 58 T 8.26 3.90 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 59 L 7.70 3.97 0.00 1.81 1.69 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.97 3.67 2.08 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 1.15 0.00 0.00 0.99 0.00 0.00 61 G 8.47 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 0.00 0.00 0.00 62 K 7.60 2.48 0.00 1.01 1.62 0.00 1.63 0.00 0.00 1.52 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.10 0.78 7.81 63 Q 7.58 3.94 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 64 I 7.96 3.72 2.00 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 1.37 0.71 0.95 0.00 0.00 65 V 7.76 3.65 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 1.21 0.00 0.00 1.18 0.00 0.00 66 E 8.38 3.99 0.00 2.10 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 2.34 2.36 0.00 67 W 8.42 3.98 0.00 3.56 3.24 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 68 I 8.11 3.78 2.05 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.79 0.96 0.00 0.00 69 L 7.85 3.97 0.00 1.63 1.73 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 70 K 7.66 4.10 0.00 1.68 1.79 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.12 1.32 7.81 71 E 8.07 4.12 0.00 1.16 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 1.47 1.47 0.00 72 E 7.54 4.21 0.00 2.17 2.15 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 2.22 2.39 0.00