NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3882 8.3344 115.4102 57.8792 64.1929 173.3683 3 I 3.8516 8.2660 125.4850 60.0983 38.7622 173.4543 4 T 4.6252 10.0359 120.5144 59.9216 71.7813 175.0079 5 S 4.1629 8.5474 120.1350 62.1365 62.8141 176.9261 6 D 4.3982 8.0814 120.6633 57.3041 40.5961 178.5612 7 E 4.0005 8.1379 118.5837 59.3910 29.5752 179.2441 8 V 3.6211 7.9693 118.2224 66.2519 31.5212 177.5719 9 N 4.6510 8.5751 116.4231 56.6640 38.4481 177.1569 10 F 4.1550 8.6641 121.9144 61.1045 39.4403 177.0443 11 L 4.1194 8.2312 118.9787 58.0239 41.4507 179.9853 12 V 3.6654 8.1046 119.0171 64.8275 31.2501 177.6551 13 Y 4.2835 8.6300 120.5382 60.6660 38.6400 178.3467 14 R 3.6002 8.3804 119.2702 59.2721 30.1862 178.2236 15 Y 4.0796 8.1643 119.3189 60.8680 38.7268 178.2985 16 L 4.0981 8.2841 119.9396 57.8973 41.7359 179.5431 17 Q 3.7812 7.6976 117.7565 59.1314 28.7958 178.8336 18 E 3.9037 8.3602 119.6124 58.8360 29.2325 178.6662 19 S 4.1771 7.5022 112.8863 57.4388 63.1431 174.3471 20 G 3.5753 7.3952 109.6673 47.1212 0.0000 175.7956 21 F 4.8182 7.4586 119.1720 55.3148 35.6090 175.7897 22 S 4.0941 7.8545 119.5993 62.3191 63.2762 176.3172 23 H 4.4039 8.0456 117.8998 58.7390 28.4895 178.0638 24 S 4.1865 8.1990 116.5372 61.4687 62.8405 176.0832 25 A 4.1496 8.6331 123.8934 55.2656 18.2208 179.4109 26 F 4.1498 8.5844 118.9693 61.9249 39.5461 177.4654 27 T 3.9471 8.2100 115.3246 66.7335 68.3293 176.5697 28 F 4.3615 9.0029 123.0874 60.9299 39.3126 177.3677 29 G 3.3645 8.3883 105.7338 47.6072 0.0000 175.7524 30 I 3.5239 7.0345 120.6027 64.0831 37.1086 178.0748 31 E 3.8392 7.8195 118.6524 59.3885 29.4388 178.7625 32 S 3.8661 7.4320 114.2023 58.9244 63.6733 173.6966 33 H 3.9347 8.0743 118.3883 56.9826 26.5288 176.1514 34 I 3.9425 7.3379 117.0250 60.4720 35.9297 176.0302 35 S 4.5411 7.9307 113.1096 57.6091 65.1178 170.6824 36 Q 4.5182 10.3860 133.0396 56.1118 33.5275 173.7641 37 S 4.6680 8.0371 111.6584 57.2151 64.7523 172.6379 38 N 4.7886 8.3611 117.5245 53.6677 39.0771 174.3597 39 I 4.0209 7.3803 116.9486 59.0707 38.5964 174.9937 40 N 4.5004 8.3932 123.9831 52.2492 39.1914 175.5980 41 G 3.9486 8.7969 115.9896 49.0801 0.0000 174.9637 42 T 3.8887 8.2426 115.6276 66.7076 68.4383 175.2458 43 L 4.1566 7.6145 118.6074 55.4576 41.8942 177.0116 44 V 4.2687 7.3030 119.1852 58.9675 31.9112 174.1517 45 P 4.5876 0.0000 0.0000 60.8273 31.9903 174.1552 46 P 4.8556 0.0000 0.0000 63.1520 31.6599 175.9095 47 A 3.8838 10.0389 120.1764 52.9219 17.2031 179.0473 48 A 4.0493 7.7374 121.0722 56.1251 18.2585 180.4400 49 L 3.8821 7.9655 118.1334 58.3959 42.1828 178.9826 50 I 3.6305 7.7923 119.0596 64.5594 37.1465 178.2364 51 S 4.1416 8.6326 116.0396 61.9880 62.8252 177.0952 52 I 3.7818 7.9560 122.2487 64.2508 36.8922 178.5549 53 L 3.9875 7.9473 120.0509 57.5537 41.2634 179.1864 54 Q 3.9579 8.2858 119.8417 59.3842 28.9575 178.7694 55 K 4.1634 8.1274 119.3226 59.3039 32.0967 179.6081 56 G 3.6429 8.0044 106.0352 47.5002 0.0000 175.7784 57 L 4.1727 7.9677 120.8717 57.3500 41.4636 179.1348 58 Q 3.9654 7.7872 119.0653 59.1122 29.1880 177.3477 59 Y 4.0538 7.9445 120.5798 60.6696 38.7895 177.9930 60 V 3.8027 8.0998 121.5216 66.6689 31.3458 178.4393 61 E 4.0920 8.6385 117.6919 60.3689 29.3069 180.6506 62 A 4.1875 7.4525 117.6831 54.6673 18.8406 178.9919 63 E 4.1108 7.7347 119.0664 59.8419 29.7893 179.4714 64 I 4.0445 7.7616 120.8804 64.8177 35.8043 178.9486 65 S 4.5262 7.3770 118.5954 58.8273 62.1617 178.8355 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 2 S 8.33 4.39 0.00 3.98 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 3 I 8.27 3.85 1.86 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 1.32 1.13 0.91 0.00 0.00 4 T 10.04 4.63 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 1.29 0.00 0.00 5 S 8.55 4.16 0.00 3.91 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 6 D 8.08 4.40 0.00 2.69 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 7 E 8.14 4.00 0.00 2.22 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 0.00 2.40 2.37 0.00 8 V 7.97 3.62 2.28 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 1.08 0.00 0.00 1.02 0.00 0.00 9 N 8.58 4.65 0.00 3.08 2.95 0.00 0.00 6.73 8.39 0.00 0.00 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 F 8.66 4.16 0.00 3.34 3.15 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 0.00 0.00 0.00 11 L 8.23 4.12 0.00 2.15 1.78 1.07 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.10 3.67 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 1.07 0.00 0.00 0.44 0.00 0.00 13 Y 8.63 4.28 0.00 3.39 3.11 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 14 R 8.38 3.60 0.00 2.02 2.13 0.00 3.16 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.89 0.00 15 Y 8.16 4.08 0.00 3.11 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 16 L 8.28 4.10 0.00 1.87 1.74 0.82 1.26 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 17 Q 7.70 3.78 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.02 1.82 0.00 18 E 8.36 3.90 0.00 1.81 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 2.26 2.34 0.00 19 S 7.50 4.18 0.00 2.96 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 20 G 7.40 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 21 F 7.46 4.82 0.00 3.17 2.87 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 0.00 0.00 0.00 22 S 7.85 4.09 0.00 3.60 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 23 H 8.05 4.40 0.00 3.24 3.39 0.00 5.62 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.20 4.19 0.00 4.08 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 25 A 8.63 4.15 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 26 F 8.58 4.15 0.00 3.28 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 27 T 8.21 3.95 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 28 F 9.00 4.36 0.00 3.16 3.28 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 29 G 8.39 3.36 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 0.00 30 I 7.03 3.52 1.76 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.38 0.76 0.00 0.00 31 E 7.82 3.84 0.00 2.04 1.89 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 2.28 2.31 0.00 32 S 7.43 3.87 0.00 3.32 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.07 3.93 0.00 3.21 3.25 0.00 5.62 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 34 I 7.34 3.94 1.34 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.22 0.03 0.00 0.00 35 S 7.93 4.54 0.00 3.82 4.04 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 0.00 0.00 0.00 0.00 36 Q 10.39 4.52 0.00 1.94 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.56 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 37 S 8.04 4.67 0.00 3.99 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 38 N 8.36 4.79 0.00 2.64 2.78 0.00 0.00 6.96 7.94 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 39 I 7.38 4.02 1.15 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 1.14 0.57 0.34 0.00 0.00 40 N 8.39 4.50 0.00 2.73 2.63 0.00 0.00 7.08 8.10 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 41 G 8.80 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 42 T 8.24 3.89 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 1.23 0.00 0.00 43 L 7.61 4.16 0.00 1.57 1.71 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.30 4.27 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 1.03 0.00 0.00 1.12 0.00 0.00 45 P 0.00 4.59 0.00 2.23 2.13 0.00 3.84 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 46 P 0.00 4.86 0.00 2.25 2.24 0.00 4.03 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.95 0.00 47 A 10.04 3.88 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.74 4.05 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 49 L 7.97 3.88 0.00 1.96 1.71 0.87 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 50 I 7.79 3.63 2.05 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.68 0.95 0.00 0.00 51 S 8.63 4.14 0.00 3.98 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 52 I 7.96 3.78 1.87 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 1.53 1.20 0.90 0.00 0.00 53 L 7.95 3.99 0.00 1.91 1.68 0.79 0.63 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 54 Q 8.29 3.96 0.00 2.32 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 55 K 8.13 4.16 0.00 2.00 1.88 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.62 1.62 7.81 56 G 8.00 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 0.00 0.00 0.00 57 L 7.97 4.17 0.00 1.90 1.74 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 7.79 3.97 0.00 2.20 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.96 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 59 Y 7.94 4.05 0.00 3.23 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 60 V 8.10 3.80 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.02 0.00 0.00 61 E 8.64 4.09 0.00 2.01 1.95 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 2.24 2.20 0.00 62 A 7.45 4.19 1.20 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 0.00 0.00 63 E 7.73 4.11 0.00 2.08 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 2.24 2.33 0.00 64 I 7.76 4.04 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 1.50 0.62 0.91 0.00 0.00 65 S 7.38 4.53 0.00 3.50 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00