NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 R 4.2375 8.2544 120.8597 55.4119 32.0481 175.2250 9 V 4.1565 7.4338 116.5635 59.4578 33.5016 173.2690 10 N 4.4494 9.3662 126.7617 53.6374 40.2889 175.5687 11 V 3.7716 8.4200 117.6546 63.6343 31.8002 176.8705 12 Q 4.6603 8.6364 117.4491 55.5432 29.4572 176.4733 13 R 4.6270 7.8410 118.8179 52.7550 30.4965 174.0820 14 P 4.2740 0.0000 0.0000 65.2705 31.6341 178.0052 15 L 4.0722 7.8460 117.5069 56.3854 41.6080 178.2415 16 D 4.5229 8.3084 119.4414 56.6643 40.4559 178.1677 17 A 3.9333 7.8867 121.2512 54.8262 18.4612 179.2406 18 L 3.9402 7.9893 118.2955 57.3623 41.6152 179.5115 19 G 3.9365 7.8694 105.2229 48.1484 0.0000 175.1301 20 N 4.6189 8.3603 117.2647 54.7548 38.7380 175.9646 21 S 4.7078 7.9454 115.8192 57.7122 63.8198 173.6832 22 L 4.1991 7.5671 120.5617 56.7928 41.6734 176.9112 23 N 4.3573 9.3793 119.1037 54.1205 36.8270 173.9926 24 S 4.9474 7.7588 113.5771 55.7981 66.8587 171.9276 25 P 4.9847 0.0000 0.0000 63.0327 32.0019 176.1471 26 V 4.7657 9.1085 115.9901 59.8980 36.8788 174.0961 27 I 4.9722 8.6739 122.5477 59.7073 40.0854 174.8660 28 I 4.8367 9.3113 127.5916 59.3493 40.2082 174.2347 29 K 4.4609 8.3299 128.7628 54.7037 33.7697 175.4394 30 L 4.9930 8.8030 127.6695 52.7271 44.4665 176.3605 31 K 4.1504 8.5429 121.2926 58.1204 32.3199 178.0483 32 G 3.8341 8.6466 111.1197 45.1571 0.0000 173.7737 33 D 4.6425 7.9546 117.7171 53.9766 39.4277 174.5093 34 R 4.1652 7.5291 119.9197 56.4488 31.6707 174.6795 35 E 5.1882 8.4108 123.3275 54.5759 33.3684 173.8959 36 F 5.2796 9.3269 124.4579 55.7196 43.1176 174.2822 37 R 5.0496 8.7980 120.6431 54.5900 33.8846 175.3977 38 G 4.0168 8.2306 108.0702 46.4755 0.0000 171.2716 39 V 4.7423 8.1336 120.6716 61.1958 33.1926 175.4639 40 L 4.4221 8.7633 131.1259 55.2470 42.3881 177.0926 41 K 4.8269 8.7970 124.9245 56.8923 34.8122 176.1297 42 S 4.7504 7.8945 111.8784 57.7724 65.5053 173.8613 43 F 5.9395 8.2346 117.7886 57.2984 40.4753 172.1307 44 D 4.9048 8.4762 118.7563 50.9674 42.3810 176.2741 45 L 4.1033 8.3154 118.1479 58.6318 40.5706 177.5347 46 H 4.4638 8.2160 115.3446 56.0817 29.2571 175.8043 47 M 3.4403 8.4784 118.7073 56.0292 30.1582 175.9905 48 N 5.0173 8.2031 117.2878 53.6337 39.8679 174.1615 49 L 5.2194 8.8675 121.7263 54.4540 44.8207 174.6312 50 V 4.8336 8.8327 120.1419 61.1932 34.0844 174.2705 51 L 5.2953 8.7468 127.2207 53.1385 44.7814 175.2016 52 N 5.2852 8.9337 119.2875 51.6189 41.9902 174.1151 53 D 4.4525 8.3566 118.4279 55.4600 39.2111 174.2235 54 A 4.8040 7.9524 120.1617 51.8184 20.5839 177.8019 55 E 5.1143 9.6164 120.0232 54.4836 33.7437 174.5760 56 E 3.8035 9.0161 125.6721 55.0053 31.0260 175.1418 57 L 5.4252 8.1017 126.1806 52.8483 44.2949 175.7947 58 E 4.7385 8.4745 115.4620 57.7076 35.5317 176.4435 59 D 4.3954 8.1610 116.8306 53.3845 41.3958 175.8578 60 G 3.9350 8.7721 105.2321 44.6720 0.0000 173.4923 61 E 4.4426 7.7209 119.7173 54.0530 31.1188 175.2820 62 V 3.9093 8.3227 124.1284 63.2965 31.2877 175.4303 63 T 4.3320 8.6058 118.4169 62.3614 69.6876 174.8527 64 R 4.4859 7.2760 119.8962 55.7276 33.3830 173.0365 65 R 5.2480 8.7554 123.5132 54.4250 33.3934 175.0647 66 L 4.7206 8.8464 122.3173 52.8883 45.1914 177.9281 67 G 3.7223 8.9623 111.0686 49.2583 0.0000 173.1243 68 T 5.3920 7.6986 112.7492 60.5304 70.8036 173.5708 69 V 4.5169 8.8196 125.7957 60.1370 35.3652 173.1051 70 L 4.9719 8.4627 125.0217 53.5828 43.7937 175.1321 71 I 4.3791 8.7240 127.7762 59.3898 39.6263 175.4962 72 R 4.5957 8.5057 126.3436 55.5923 30.8290 177.9586 73 G 3.8998 9.6264 112.2836 47.5025 0.0000 175.1621 74 D 4.2951 8.0907 118.2568 56.6934 41.4378 176.2403 75 N 4.7524 7.9479 115.4230 53.0682 38.8430 174.3404 76 I 4.3266 7.6642 120.7285 60.6641 38.2070 175.8431 77 V 4.0564 8.6146 126.7672 65.1907 31.7089 175.3064 78 Y 5.0243 7.1186 115.8988 56.0165 41.7878 172.7213 79 I 5.1321 8.4176 119.4714 59.6825 41.0277 174.9312 80 S 4.6172 9.4319 121.9377 55.8857 64.8921 172.2779 81 P 4.4554 0.0000 0.0000 62.8011 31.2463 176.3334 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 8 R 8.25 4.24 0.00 1.78 2.02 0.00 3.17 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 9 V 7.43 4.16 2.07 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 0.84 0.00 0.00 0.92 0.00 0.00 10 N 9.37 4.45 0.00 2.77 2.68 0.00 0.00 7.23 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 11 V 8.42 3.77 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 0.76 0.00 0.00 0.93 0.00 0.00 12 Q 8.64 4.66 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.14 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 13 R 7.84 4.63 0.00 1.93 1.82 0.00 3.15 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 14 P 0.00 4.27 0.00 2.25 2.30 0.00 3.80 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 15 L 7.85 4.07 0.00 1.82 1.86 0.94 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.31 4.52 0.00 2.81 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 17 A 7.89 3.93 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 0.00 0.00 0.00 0.00 0.00 18 L 7.99 3.94 0.00 0.30 0.28 0.46 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.87 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 0.00 0.00 0.00 20 N 8.36 4.62 0.00 2.84 2.89 0.00 0.00 6.91 8.35 0.00 0.00 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 S 7.95 4.71 0.00 3.78 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 22 L 7.57 4.20 0.00 1.69 1.70 1.02 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 23 N 9.38 4.36 0.00 2.85 2.95 0.00 0.00 6.81 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 24 S 7.76 4.95 0.00 3.96 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 25 P 0.00 4.98 0.00 1.95 2.00 0.00 3.63 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 26 V 9.11 4.77 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.00 0.00 0.00 27 I 8.67 4.97 1.96 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.72 1.06 0.00 0.00 28 I 9.31 4.84 1.93 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 1.16 0.99 0.87 0.00 0.00 29 K 8.33 4.46 0.00 0.79 0.74 0.00 1.53 0.00 0.00 1.46 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.97 1.14 7.81 30 L 8.80 4.99 0.00 1.69 1.56 1.06 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.54 4.15 0.00 1.73 1.75 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.52 7.81 32 G 8.65 3.83 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 0.00 0.00 0.00 33 D 7.95 4.64 0.00 2.89 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 34 R 7.53 4.17 0.00 1.92 1.85 0.00 3.30 0.00 0.00 3.50 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.55 0.00 35 E 8.41 5.19 0.00 1.97 1.62 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 2.21 2.44 0.00 36 F 9.33 5.28 0.00 2.97 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 37 R 8.80 5.05 0.00 1.72 1.80 0.00 3.18 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 38 G 8.23 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 39 V 8.13 4.74 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.95 0.00 0.00 40 L 8.76 4.42 0.00 1.85 1.72 1.03 0.28 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 41 K 8.80 4.83 0.00 1.64 1.81 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.55 1.65 7.81 42 S 7.89 4.75 0.00 3.84 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.23 5.94 0.00 3.14 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 44 D 8.48 4.90 0.00 2.82 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 45 L 8.32 4.10 0.00 1.76 1.82 0.88 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.22 4.46 0.00 3.37 3.37 0.00 5.74 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 M 8.48 3.44 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 48 N 8.20 5.02 0.00 2.98 2.75 0.00 0.00 6.53 6.83 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 49 L 8.87 5.22 0.00 1.88 1.81 0.88 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.83 4.83 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 1.05 0.00 0.00 0.92 0.00 0.00 51 L 8.75 5.30 0.00 1.58 1.54 0.92 0.36 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 52 N 8.93 5.29 0.00 2.70 2.70 0.00 0.00 7.04 8.56 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 53 D 8.36 4.45 0.00 2.82 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 54 A 7.95 4.80 1.43 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 0.00 0.00 0.00 55 E 9.62 5.11 0.00 1.82 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 56 E 9.02 3.80 0.00 1.45 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.47 0.00 57 L 8.10 5.43 0.00 1.42 1.48 0.89 0.94 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 58 E 8.47 4.74 0.00 1.85 1.88 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 2.14 2.21 0.00 59 D 8.16 4.40 0.00 2.55 2.55 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 60 G 8.77 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 0.00 0.00 0.00 61 E 7.72 4.44 0.00 1.96 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 2.29 2.19 0.00 62 V 8.32 3.91 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 0.78 0.00 0.00 0.90 0.00 0.00 63 T 8.61 4.33 4.19 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 0.00 0.00 0.00 1.21 0.00 0.00 64 R 7.28 4.49 0.00 1.83 1.72 0.00 3.16 0.00 0.00 3.40 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 65 R 8.76 5.25 0.00 1.70 1.80 0.00 3.21 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 66 L 8.85 4.72 0.00 1.64 1.55 1.03 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.96 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 68 T 7.70 5.39 4.30 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 0.00 0.00 1.21 0.00 0.00 69 V 8.82 4.52 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.72 0.00 0.00 70 L 8.46 4.97 0.00 1.60 1.55 0.93 0.98 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 71 I 8.72 4.38 1.74 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.55 0.78 0.00 0.00 72 R 8.51 4.60 0.00 1.85 1.83 0.00 3.11 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 73 G 9.63 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 74 D 8.09 4.30 0.00 2.62 2.71 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 75 N 7.95 4.75 0.00 2.72 2.80 0.00 0.00 6.81 7.07 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 76 I 7.66 4.33 1.98 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 1.14 0.70 0.95 0.00 0.00 77 V 8.61 4.06 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 0.95 0.00 0.00 0.95 0.00 0.00 78 Y 7.12 5.02 0.00 3.01 3.01 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 79 I 8.42 5.13 1.88 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.67 0.90 0.00 0.00 80 S 9.43 4.62 0.00 3.94 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 81 P 0.00 4.46 0.00 2.07 1.92 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00