NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.1424 8.1849 122.4903 55.0072 42.2938 176.4600 2 E 4.2361 8.6161 127.5200 54.2121 29.6307 174.8168 3 D 4.8859 8.9207 126.7865 52.9873 42.6527 177.0999 4 R 4.3269 7.6021 122.3677 55.9099 29.3104 177.4922 5 R 4.4635 7.4578 112.2837 55.6259 31.5379 176.1764 6 I 3.6071 7.8331 120.1923 60.9747 37.0676 173.4868 7 P 4.7358 0.0000 0.0000 63.7822 31.8799 176.6358 8 G 3.9030 10.1505 109.0514 45.9043 0.0000 172.4392 9 T 4.8314 8.4572 118.3296 62.2325 73.7732 175.4466 10 A 3.9552 8.7146 123.0216 55.2186 18.2193 179.2241 11 E 4.0349 8.1098 115.7288 59.4202 29.5299 178.7490 12 E 3.9307 8.1148 119.8786 59.2178 29.5813 178.0876 13 N 4.4894 8.3433 115.8187 55.4802 39.4077 175.0428 14 L 4.0185 7.3842 119.3611 55.8141 40.1252 176.3195 15 Q 4.0023 8.5611 125.8392 54.4983 29.1299 173.4331 16 K 4.0035 7.6182 114.2639 55.8896 30.2562 174.5808 17 S 4.5445 7.7776 112.5364 57.4494 65.2610 173.4988 18 S 4.7481 8.3808 113.2536 58.2342 63.9421 175.6192 19 G 4.0089 7.8997 109.8829 46.7705 0.0000 174.2440 20 G 4.4472 8.4613 117.8901 46.3073 0.0000 173.5583 21 V 4.3817 8.5875 110.6315 58.7527 34.2134 174.3368 22 P 4.2806 0.0000 0.0000 63.6737 31.9441 176.1947 23 G 3.7209 8.1255 105.4815 46.9229 0.0000 173.4314 24 Q 4.7330 7.8414 111.4641 55.3002 29.2838 175.4535 25 N 4.6867 7.6866 115.0107 55.5269 42.4556 174.5472 26 T 3.7157 8.6607 111.5666 64.0244 68.4171 171.5069 27 G 3.5514 8.6025 111.7116 43.1850 0.0000 173.7975 28 G 4.0193 8.3614 107.9507 45.6134 0.0000 171.0107 29 Q 3.9928 8.2273 121.5433 56.9957 27.0633 175.5018 30 E 4.1816 8.1553 115.7420 58.8018 30.7362 176.3814 31 A 4.5198 7.2017 123.5311 49.6012 19.9599 177.3809 32 R 3.7945 8.7587 108.2353 57.9480 27.4756 174.4924 33 P 4.6076 0.0000 0.0000 62.5687 32.8750 176.5565 34 N 4.2622 8.0841 113.2095 53.5220 39.6588 172.0804 35 Y 4.6755 7.2240 118.3596 58.1112 40.4810 176.7131 36 H 4.6115 7.5994 114.2799 54.4516 29.1478 176.4650 37 C 3.9349 8.0868 119.7631 60.5175 31.1822 174.6532 38 Q 3.8956 7.4831 119.4924 59.7177 28.4375 177.7787 39 L 4.2220 7.7166 119.8487 57.7078 41.4205 179.0358 40 C 4.1615 7.9141 113.4950 60.9427 29.9078 175.3977 41 F 4.3468 8.4290 123.5089 61.3084 38.8315 177.1401 42 L 3.4631 8.2249 117.5373 57.6350 41.4013 179.2679 43 R 4.1345 8.0524 118.5115 58.4742 30.4832 176.7549 44 S 4.7125 8.0906 113.5885 57.1465 63.2002 175.7544 45 L 4.1356 7.9483 120.4417 57.0888 39.0710 177.9679 46 G 3.9456 8.7313 105.4706 45.1067 0.0000 173.8544 47 I 3.2668 7.6967 111.4493 62.2080 38.0871 175.3448 48 D 4.2502 8.2384 120.1359 57.1366 40.8842 177.0999 49 Y 4.0762 7.7769 119.1936 59.6130 38.5355 177.0112 50 L 3.6817 7.5831 118.7493 56.5449 42.2385 177.9916 51 D 4.3232 7.7505 117.9537 56.8478 41.1990 177.6680 52 A 3.8222 7.8366 121.5509 55.3656 18.2316 179.4646 53 S 3.9992 7.3984 110.2001 60.4695 62.4155 174.8309 54 L 4.7462 7.3557 120.3633 54.0640 42.4917 178.3734 55 R 4.0355 7.9433 120.0134 58.4593 29.5810 178.4603 56 K 3.8957 8.0452 117.7562 59.1838 32.0343 178.0412 57 K 4.1876 7.8089 118.6621 58.6146 32.7266 177.9079 58 N 4.4904 7.9681 116.6430 54.9726 40.0009 174.7654 59 K 4.7054 7.6106 121.5044 54.5810 29.3735 176.4388 60 Q 5.5866 7.9836 133.9088 57.7595 28.2376 176.2153 61 R 3.9435 7.4800 118.4290 59.2475 29.7073 178.4076 62 L 3.8063 7.9727 118.3273 58.8658 39.7583 178.7717 63 K 4.5191 8.4234 119.0027 57.0258 32.7371 178.7284 64 A 4.0822 7.7841 120.6264 54.7435 18.1281 179.2328 65 I 3.5762 8.3104 117.8430 63.6926 38.4765 176.5584 66 Q 4.4920 7.7439 116.3544 55.6092 28.7344 176.2013 67 Q 4.3304 7.8226 119.4007 55.2154 30.3323 176.5382 68 G 3.4611 8.4148 106.8818 46.8420 0.0000 173.3193 69 R 3.5577 7.1030 120.5201 57.1226 27.9294 174.8011 70 Q 4.1708 7.3571 119.5647 53.9814 30.7815 175.5310 71 P 4.4385 0.0000 0.0000 64.6599 28.4060 176.9948 72 Q 3.4445 7.9261 119.6301 58.0210 28.3182 175.8121 73 Y 4.3608 7.9369 115.5197 59.5595 38.4466 177.0158 74 L 3.9276 6.7914 121.3845 55.8151 42.5243 176.0651 75 L 3.9598 7.1429 124.2849 55.2603 43.5206 173.4718 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 L 8.18 4.14 0.00 1.60 1.68 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 2 E 8.62 4.24 0.00 2.06 1.90 0.00 0.00 0.00 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 2.30 0.00 3 D 8.92 4.89 0.00 2.55 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 4 R 7.60 4.33 0.00 1.84 1.88 0.00 3.21 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 5 R 7.46 4.46 0.00 1.76 1.90 0.00 3.24 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 6 I 7.83 3.61 1.87 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 1.47 0.43 0.91 0.00 0.00 7 P 0.00 4.74 0.00 2.17 2.04 0.00 3.82 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 8 G 10.15 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.46 4.83 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 1.27 0.00 0.00 10 A 8.71 3.96 1.32 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 11 E 8.11 4.03 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 12 E 8.11 3.93 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.39 0.00 13 N 8.34 4.49 0.00 2.88 2.88 0.00 0.00 7.28 7.72 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 14 L 7.38 4.02 0.00 1.98 1.63 0.97 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.56 4.00 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.71 0.00 0.00 0.00 0.00 0.00 2.12 2.30 0.00 16 K 7.62 4.00 0.00 1.88 1.81 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.45 7.81 17 S 7.78 4.54 0.00 3.78 3.85 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 18 S 8.38 4.75 0.00 4.06 4.06 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 0.00 0.00 0.00 0.00 19 G 7.90 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 20 G 8.46 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 0.00 0.00 0.00 0.00 21 V 8.59 4.38 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 0.89 0.00 0.00 0.94 0.00 0.00 22 P 0.00 4.28 0.00 2.17 2.17 0.00 3.83 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 23 G 8.13 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 24 Q 7.84 4.73 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.97 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 25 N 7.69 4.69 0.00 2.63 2.78 0.00 0.00 7.31 7.71 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 26 T 8.66 3.72 4.38 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 1.22 0.00 0.00 27 G 8.60 3.55 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 28 G 8.36 4.02 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 0.00 0.00 0.00 29 Q 8.23 3.99 0.00 2.24 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 7.02 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 30 E 8.16 4.18 0.00 1.95 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 2.32 2.37 0.00 31 A 7.20 4.52 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 32 R 8.76 3.79 0.00 1.95 1.98 0.00 3.38 0.00 0.00 3.29 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 33 P 0.00 4.61 0.00 2.37 2.22 0.00 3.85 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 34 N 8.08 4.26 0.00 2.63 2.75 0.00 0.00 6.87 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 35 Y 7.22 4.68 0.00 3.10 2.92 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 0.00 0.00 0.00 36 H 7.60 4.61 0.00 3.34 3.65 0.00 5.54 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 C 8.09 3.93 0.00 3.16 3.07 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 38 Q 7.48 3.90 0.00 1.87 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.56 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 39 L 7.72 4.22 0.00 1.41 1.79 0.96 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 40 C 7.91 4.16 0.00 3.13 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 41 F 8.43 4.35 0.00 3.03 3.20 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 42 L 8.22 3.46 0.00 1.68 1.80 0.61 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 43 R 8.05 4.13 0.00 1.80 2.12 0.00 3.23 0.00 0.00 3.28 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 44 S 8.09 4.71 0.00 3.95 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 45 L 7.95 4.14 0.00 1.82 1.64 -1.09 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.73 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.70 3.27 1.85 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 1.30 0.93 0.88 0.00 0.00 48 D 8.24 4.25 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 49 Y 7.78 4.08 0.00 3.10 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 50 L 7.58 3.68 0.00 1.62 1.55 0.58 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 51 D 7.75 4.32 0.00 2.61 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 52 A 7.84 3.82 1.13 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 0.00 0.00 53 S 7.40 4.00 0.00 3.40 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 54 L 7.36 4.75 0.00 1.74 1.53 0.86 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 55 R 7.94 4.04 0.00 1.81 1.97 0.00 3.28 0.00 0.00 3.35 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.80 0.00 56 K 8.05 3.90 0.00 1.71 1.89 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.50 7.81 57 K 7.81 4.19 0.00 1.74 1.80 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.33 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.47 7.81 58 N 7.97 4.49 0.00 2.88 2.78 0.00 0.00 7.25 6.16 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 59 K 7.61 4.71 0.00 1.97 1.84 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.54 7.81 60 Q 7.98 5.59 0.00 2.25 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.84 0.00 0.00 0.00 0.00 0.00 2.23 2.10 0.00 61 R 7.48 3.94 0.00 2.09 1.99 0.00 3.13 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 62 L 7.97 3.81 0.00 1.79 1.83 0.92 0.40 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 63 K 8.42 4.52 0.00 1.79 1.88 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.39 1.44 7.81 64 A 7.78 4.08 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 65 I 8.31 3.58 1.94 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.71 0.97 0.00 0.00 66 Q 7.74 4.49 0.00 2.21 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.59 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 67 Q 7.82 4.33 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 68 G 8.41 3.46 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 0.00 69 R 7.10 3.56 0.00 2.03 1.88 0.00 3.36 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.68 0.00 70 Q 7.36 4.17 0.00 1.51 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.40 0.00 0.00 0.00 0.00 0.00 2.27 2.23 0.00 71 P 0.00 4.44 0.00 2.31 2.25 0.00 3.61 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.13 0.00 72 Q 7.93 3.44 0.00 2.27 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.95 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 73 Y 7.94 4.36 0.00 2.93 3.09 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 74 L 6.79 3.93 0.00 1.01 1.50 1.01 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 75 L 7.14 3.96 0.00 1.88 1.68 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00