NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 P 4.3759 0.0000 0.0000 61.4784 33.0009 175.8997 17 S 4.4722 8.3818 112.0718 56.7830 64.0646 173.7660 18 R 4.3736 8.5497 120.4598 56.1283 28.6923 175.0657 19 K 4.3774 8.0955 117.7190 56.3230 35.2660 176.3748 20 A 4.2458 7.7766 117.7801 52.1434 20.9581 173.0900 21 K 3.8556 7.9492 128.3321 55.7104 31.2568 175.8163 22 V 3.7091 8.1916 126.7996 65.2228 31.8226 177.4127 23 K 4.0874 7.6694 119.9149 58.8469 32.0813 176.9080 24 A 4.6643 7.8626 119.6006 52.5163 19.1297 177.5129 25 T 4.3106 7.8998 117.6664 65.3334 70.2248 174.8821 26 L 4.6895 7.5970 121.7845 53.1536 44.7687 175.3375 27 G 4.3616 7.9505 120.7447 44.7133 0.0000 176.1383 28 E 4.0364 8.9661 127.8989 55.7198 29.6387 175.3176 29 F 5.0622 8.6636 127.8032 56.3837 41.6709 173.1898 30 D 4.3875 8.7905 128.1592 53.2937 41.3823 175.8023 31 L 3.7508 7.9512 125.6167 55.2371 42.0578 177.3611 32 R 4.2655 7.4398 117.0870 56.1690 30.2941 176.1062 33 D 4.1149 7.6845 118.2828 52.8433 40.1706 175.6359 34 Y 4.4904 7.8730 126.2218 59.9233 37.9174 177.7911 35 R 4.5793 6.6293 118.7168 56.7280 30.7786 177.0709 36 N 4.7384 7.8048 115.4306 53.3568 36.9056 174.5672 37 V 3.4248 7.9631 119.3918 67.5681 31.6409 175.8872 38 E 3.9670 8.1395 120.5331 59.4951 29.6521 179.5027 39 V 3.6343 7.6335 118.4872 65.7899 31.6294 177.2009 40 L 4.9572 8.5397 115.9343 55.0531 41.3624 177.5871 41 K 4.6051 7.6328 118.5939 56.3818 33.1399 176.6335 42 R 4.3975 7.4233 116.2585 55.3942 32.2474 175.8959 43 F 4.8243 7.6730 116.2073 57.5952 39.5438 176.5788 44 L 4.5003 8.0753 122.2969 55.4928 43.2376 179.3085 45 S 3.5903 8.1411 111.0186 59.2832 62.2822 171.6221 46 E 4.4915 8.7377 115.4845 58.1788 31.7900 177.1496 47 T 3.8254 7.6913 113.6170 64.5816 69.0708 175.5452 48 G 4.2120 7.5698 110.6970 45.8444 0.0000 173.8609 49 K 4.4693 7.1467 118.0911 54.5488 34.0866 176.5051 50 I 4.2784 7.9956 121.1803 59.9708 37.7376 176.2924 51 L 4.1383 8.5196 126.4588 53.7967 42.2802 175.9284 52 P 4.5848 0.0000 0.0000 62.4137 33.6402 177.5387 53 R 4.2634 8.4434 117.2434 58.5370 29.5395 178.8374 54 R 3.9154 8.0771 117.7270 59.1274 30.2154 177.3173 55 R 4.4754 7.6835 116.0307 57.9490 31.7374 178.4350 56 T 4.0998 8.1630 109.7169 62.6558 68.5627 175.5028 57 G 4.0367 8.0868 108.2495 46.4384 0.0000 173.0569 58 L 4.6180 7.8902 119.0239 52.8443 44.3025 176.0669 59 S 4.8119 7.8762 115.3794 56.9672 66.2008 175.2030 60 G 3.5941 8.4273 107.3484 47.7117 0.0000 175.4582 61 K 3.8558 8.0946 121.3983 59.3779 32.0127 178.5527 62 E 3.8858 7.6919 117.2728 59.3760 29.5258 178.7897 63 Q 4.1849 8.1454 114.5505 57.3754 28.8774 177.6692 64 R 4.4494 7.6282 119.8043 57.2533 31.1391 177.4917 65 I 4.4056 6.9462 109.6272 60.7823 38.2536 176.3944 66 L 4.4423 8.0644 123.5396 57.6425 41.6760 178.3606 67 A 4.0277 7.7803 120.9657 54.4231 18.4137 179.4126 68 K 3.8979 7.7279 117.3738 59.8018 32.3675 178.9136 69 T 4.2273 7.8080 108.7032 63.7304 69.1122 176.8764 70 I 3.7870 7.8353 123.4807 64.3562 37.0330 178.3018 71 K 4.0312 8.2355 119.3920 59.5695 31.7165 179.6305 72 R 3.9251 8.2287 118.1491 59.2082 29.8870 178.9971 73 A 4.1617 8.1034 120.5977 54.8789 18.1076 179.9394 74 R 4.0158 7.9884 116.2762 59.6439 30.2919 178.9098 75 I 3.9117 7.3799 118.0658 64.4797 37.1666 178.2513 76 L 4.1645 7.5345 118.9530 59.1654 41.9646 175.9686 77 G 3.8870 8.8661 103.3615 45.3230 0.0000 173.6713 78 L 4.1318 8.8714 120.0077 54.4386 40.8279 174.6156 79 L 4.7645 7.5754 116.7609 53.3097 42.7192 174.0203 80 P 3.9528 0.0000 0.0000 61.8765 31.5519 175.7005 81 F 3.6776 8.0216 110.5790 58.1240 38.1233 174.9420 82 T 4.8973 8.8125 125.6744 62.4249 70.7541 171.7270 83 E 4.2908 9.5236 131.3258 55.7566 30.7607 172.8986 84 K 3.4786 8.4995 124.5253 56.6714 31.2691 174.3158 85 L 4.5097 8.2784 124.1436 53.1142 43.2174 176.2170 86 V 3.8765 8.1643 125.6476 63.2228 33.2939 176.4803 87 R 3.6856 9.1079 124.5238 54.4155 27.8981 176.5857 88 K 4.1629 8.9413 125.7694 57.4600 33.0910 174.4998 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 16 P 0.00 4.38 0.00 2.18 2.03 0.00 3.41 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.08 0.00 17 S 8.38 4.47 0.00 3.90 3.99 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 18 R 8.55 4.37 0.00 1.84 1.88 0.00 3.37 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 1.64 1.60 0.00 19 K 8.10 4.38 0.00 1.68 1.78 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.39 7.81 20 A 7.78 4.25 1.22 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 0.00 0.00 0.00 0.00 0.00 21 K 7.95 3.86 0.00 1.88 1.86 0.00 1.69 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.48 7.81 22 V 8.19 3.71 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 0.59 0.00 0.00 1.00 0.00 0.00 23 K 7.67 4.09 0.00 2.16 1.85 0.00 2.10 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.45 7.81 24 A 7.86 4.66 1.27 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 0.00 0.00 25 T 7.90 4.31 4.14 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 0.00 0.00 0.00 1.14 0.00 0.00 26 L 7.60 4.69 0.00 1.41 1.44 0.83 0.15 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 27 G 7.95 4.36 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 28 E 8.97 4.04 0.00 1.98 1.92 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 2.34 2.27 0.00 29 F 8.66 5.06 0.00 2.85 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.79 4.39 0.00 2.60 2.50 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 0.00 0.00 0.00 31 L 7.95 3.75 0.00 1.37 1.47 0.81 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.44 4.27 0.00 1.68 1.95 0.00 3.13 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.45 0.00 33 D 7.68 4.11 0.00 2.61 2.48 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 34 Y 7.87 4.49 0.00 3.27 3.26 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 0.00 35 R 6.63 4.58 0.00 1.93 1.96 0.00 3.20 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.84 0.00 36 N 7.80 4.74 0.00 3.12 2.90 0.00 0.00 6.83 8.53 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 37 V 7.96 3.42 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 1.05 0.00 0.00 1.03 0.00 0.00 38 E 8.14 3.97 0.00 2.12 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 0.00 2.25 2.30 0.00 39 V 7.63 3.63 2.38 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 0.86 0.00 0.00 0.88 0.00 0.00 40 L 8.54 4.96 0.00 1.73 1.87 1.08 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.63 4.61 0.00 1.98 1.72 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.43 7.81 42 R 7.42 4.40 0.00 1.17 1.49 0.00 3.21 0.00 0.00 2.96 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.47 0.00 43 F 7.67 4.82 0.00 3.05 3.06 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 44 L 8.08 4.50 0.00 1.75 1.80 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.14 3.59 0.00 4.14 3.26 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 0.00 46 E 8.74 4.49 0.00 2.04 1.91 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 2.28 2.34 0.00 47 T 7.69 3.83 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 1.23 0.00 0.00 48 G 7.57 4.21 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 0.00 0.00 0.00 49 K 7.15 4.47 0.00 1.86 1.79 0.00 1.61 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.47 7.81 50 I 8.00 4.28 1.90 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 1.46 0.56 0.92 0.00 0.00 51 L 8.52 4.14 0.00 1.75 1.69 1.03 1.17 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 52 P 0.00 4.58 0.00 2.28 2.23 0.00 3.74 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 2.09 2.07 0.00 53 R 8.44 4.26 0.00 1.89 2.04 0.00 3.76 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.56 0.00 54 R 8.08 3.92 0.00 1.79 2.01 0.00 3.26 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 55 R 7.68 4.48 0.00 1.88 1.96 0.00 3.36 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 56 T 8.16 4.10 4.37 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 1.42 0.00 0.00 57 G 8.09 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 0.00 0.00 0.00 58 L 7.89 4.62 0.00 1.82 1.64 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 59 S 7.88 4.81 0.00 3.92 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 60 G 8.43 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.09 3.86 0.00 1.87 1.82 0.00 1.60 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.59 7.81 62 E 7.69 3.89 0.00 2.39 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 0.00 2.37 2.39 0.00 63 Q 8.15 4.18 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 64 R 7.63 4.45 0.00 1.95 1.93 0.00 3.10 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.80 0.00 65 I 6.95 4.41 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.54 0.89 0.00 0.00 66 L 8.06 4.44 0.00 1.75 1.86 0.70 0.87 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 67 A 7.78 4.03 1.38 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 0.00 0.00 68 K 7.73 3.90 0.00 2.16 1.81 0.00 1.51 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.49 7.81 69 T 7.81 4.23 4.32 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 1.31 0.00 0.00 70 I 7.84 3.79 1.96 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.63 0.97 0.00 0.00 71 K 8.24 4.03 0.00 2.06 1.87 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.58 7.81 72 R 8.23 3.93 0.00 2.10 1.95 0.00 3.19 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.84 0.00 73 A 8.10 4.16 1.56 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 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.99 4.02 0.00 2.12 2.26 0.00 3.60 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.97 0.00 75 I 7.38 3.91 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 1.51 0.34 0.89 0.00 0.00 76 L 7.53 4.16 0.00 1.75 1.78 0.89 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.87 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 0.00 0.00 0.00 78 L 8.87 4.13 0.00 1.86 1.90 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.58 4.76 0.00 1.70 1.61 1.10 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 3.95 0.00 1.99 2.07 0.00 3.76 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.84 0.00 81 F 8.02 3.68 0.00 3.18 3.30 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 0.00 82 T 8.81 4.90 4.35 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 0.00 0.00 0.00 1.42 0.00 0.00 83 E 9.52 4.29 0.00 1.77 1.76 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 2.17 2.28 0.00 84 K 8.50 3.48 0.00 1.88 1.75 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.75 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.34 7.81 85 L 8.28 4.51 0.00 1.57 1.56 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.16 3.88 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 0.85 0.00 0.00 0.92 0.00 0.00 87 R 9.11 3.69 0.00 2.01 1.83 0.00 3.55 0.00 0.00 3.15 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 88 K 8.94 4.16 0.00 1.88 1.78 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.36 7.81