NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 P 4.2369 0.0000 0.0000 63.1046 33.1489 177.3696 17 S 3.9951 8.3147 111.1873 57.0754 61.3144 167.9877 18 R 4.4100 8.2925 121.0622 55.7767 29.5123 175.7058 19 K 4.2453 7.7222 112.2968 56.0563 32.7806 174.5093 20 A 3.8380 8.1160 126.9254 51.7588 17.5812 179.1393 21 K 4.1425 8.5444 121.8645 57.0929 32.7395 178.2693 22 V 3.8754 8.1332 120.9755 65.2519 31.8695 177.6499 23 K 4.2819 8.2113 120.0680 59.1609 31.8690 177.1798 24 A 4.0563 7.7137 120.5340 56.0255 18.7259 178.9256 25 T 4.2788 7.7823 114.0073 60.8312 66.1297 173.4058 26 L 4.9027 7.3296 130.7459 54.6963 44.5542 173.7660 27 G 4.0678 8.3262 115.0780 43.7421 0.0000 172.7499 28 E 4.0441 8.6147 117.6292 56.4397 29.7331 176.4158 29 F 4.9015 7.5049 116.4676 54.8611 40.8266 173.4600 30 D 4.4323 8.7046 122.2526 54.0730 41.0984 176.9540 31 L 4.4926 8.4197 126.7073 56.5760 42.0760 177.9417 32 R 4.0951 8.1369 118.1972 57.6569 30.3273 175.5638 33 D 4.3129 7.6083 116.1248 54.3697 40.3572 174.5364 34 Y 4.7520 7.6889 126.3943 57.3828 38.5205 176.3946 35 R 4.5738 7.4632 115.2819 55.8808 33.5146 176.0120 36 N 4.6181 7.7717 117.6582 52.5458 36.2848 175.7753 37 V 3.4883 7.6954 122.0728 66.3055 31.6276 176.6487 38 E 3.8484 7.9141 117.2815 59.2882 29.7444 179.1098 39 V 3.4025 7.7146 119.0730 64.6528 31.6630 178.1655 40 L 3.6187 7.6569 119.6411 57.2399 41.3161 179.1163 41 K 3.9024 7.7223 119.0874 59.9554 31.6989 178.5542 42 R 3.7890 7.4210 117.1952 58.3132 29.9952 177.3263 43 F 5.0481 8.0568 116.2891 57.2006 39.2902 174.9451 44 L 5.2535 7.3046 121.2168 52.8555 43.8627 177.6637 45 S 4.6060 8.3585 117.4223 58.0578 64.9293 174.8549 46 E 4.3212 8.6299 118.9470 57.0692 28.9632 176.3199 47 T 4.3082 7.0153 113.5316 63.0661 72.9863 174.8375 48 G 4.0009 8.7907 108.5203 46.2283 0.0000 173.4252 49 K 4.3107 8.2533 121.0060 55.3271 33.3767 176.5352 50 I 4.2659 8.3535 126.4024 61.0245 37.4466 176.1180 51 L 4.1998 9.2250 128.5215 54.3115 42.3567 175.8873 52 P 4.4685 0.0000 0.0000 62.1309 32.5338 177.6014 53 R 4.3299 9.1002 119.8044 58.9731 29.9597 180.1015 54 R 4.3634 7.8522 108.8643 56.4362 29.1080 176.6613 55 R 4.7127 8.7997 117.6298 58.6997 36.6831 177.6237 56 T 3.8700 8.5600 108.0995 62.3956 68.8615 176.2603 57 G 3.9570 8.1473 108.3676 45.8525 0.0000 174.0195 58 L 4.4181 7.2007 119.5236 54.0657 43.1497 176.4077 59 S 4.8934 7.8892 112.8699 56.4960 67.1826 174.6589 60 G 3.8806 8.4913 108.0985 48.2992 0.0000 175.7476 61 K 3.8920 7.8176 121.5471 59.6001 32.8003 177.9928 62 E 3.6919 8.1059 117.6616 59.6112 29.3240 179.2898 63 Q 3.7379 8.8937 119.2199 59.6563 29.0389 180.1122 64 R 3.9109 8.0437 119.5097 59.3654 30.0224 178.5819 65 I 3.9592 8.3284 120.0518 63.9248 37.2371 177.5661 66 L 3.9657 8.0470 120.5695 58.6108 41.8143 178.5448 67 A 4.0545 8.0559 120.1822 55.4957 18.2129 179.5011 68 K 3.9936 7.5834 118.0744 59.5630 32.3761 179.3125 69 T 3.9845 8.0472 116.2863 66.7603 68.4980 176.7483 70 I 3.8006 8.4161 122.0651 64.1554 37.1885 178.7637 71 K 3.8404 7.9294 118.9676 59.3085 31.6730 179.3125 72 R 3.8056 7.7728 116.9578 59.5063 30.2429 178.2171 73 A 4.1482 7.8305 119.4692 55.5511 18.2674 179.5242 74 R 4.5673 7.6319 116.3900 59.1293 29.9433 178.7900 75 I 3.8709 7.3820 116.0527 64.3246 38.0785 177.3002 76 L 4.2535 7.9380 117.2605 55.4007 41.6230 178.1888 77 G 4.0983 8.6807 107.8791 45.3613 0.0000 174.8869 78 L 4.1470 7.9254 119.0666 56.7780 42.1729 177.1885 79 L 4.8378 7.5682 116.9548 51.8103 44.6618 174.1082 80 P 4.9128 0.0000 0.0000 62.8063 32.2588 176.1520 81 F 4.2917 8.6662 117.7038 59.4917 39.9407 176.5047 82 T 4.3845 7.3905 109.9884 61.3726 69.7132 171.7211 83 E 4.7940 8.6783 126.6051 54.2704 32.6383 175.8010 84 K 4.2481 8.2955 119.5341 55.8416 33.1102 176.4776 85 L 4.4553 8.1846 123.4662 53.4133 42.7822 176.1758 86 V 3.9520 8.0580 126.3659 63.5098 33.1774 174.7386 87 R 4.0935 8.7655 120.5855 56.5129 27.4846 175.4800 88 K 4.1864 8.7013 124.9718 57.8720 32.8906 175.8607 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 4.24 0.00 2.20 2.25 0.00 3.76 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 1.96 0.00 17 S 8.31 4.00 0.00 4.10 4.15 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 18 R 8.29 4.41 0.00 1.84 1.89 0.00 3.42 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 19 K 7.72 4.25 0.00 1.75 1.82 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.43 7.81 20 A 8.12 3.84 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 21 K 8.54 4.14 0.00 1.90 1.81 0.00 1.57 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.53 7.81 22 V 8.13 3.88 2.33 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 1.02 0.00 0.00 1.07 0.00 0.00 23 K 8.21 4.28 0.00 1.98 1.89 0.00 1.87 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.61 7.81 24 A 7.71 4.06 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.78 4.28 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 1.21 0.00 0.00 26 L 7.33 4.90 0.00 1.64 1.90 0.73 0.65 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 27 G 8.33 4.07 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 0.00 0.00 0.00 28 E 8.61 4.04 0.00 2.04 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 0.00 2.29 2.34 0.00 29 F 7.50 4.90 0.00 3.17 3.05 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 0.00 0.00 0.00 0.00 30 D 8.70 4.43 0.00 2.79 2.64 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 31 L 8.42 4.49 0.00 1.67 1.77 0.90 1.30 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 32 R 8.14 4.10 0.00 1.82 2.23 0.00 3.28 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 33 D 7.61 4.31 0.00 2.79 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 7.69 4.75 0.00 3.12 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 35 R 7.46 4.57 0.00 1.62 1.86 0.00 3.15 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.04 0.00 36 N 7.77 4.62 0.00 3.18 2.69 0.00 0.00 6.68 7.59 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 37 V 7.70 3.49 2.05 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 1.01 0.00 0.00 0.97 0.00 0.00 38 E 7.91 3.85 0.00 1.88 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 2.25 2.26 0.00 39 V 7.71 3.40 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 0.73 0.00 0.00 0.11 0.00 0.00 40 L 7.66 3.62 0.00 1.63 1.75 0.99 0.85 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 41 K 7.72 3.90 0.00 2.13 1.84 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.39 1.47 7.81 42 R 7.42 3.79 0.00 1.14 1.53 0.00 3.23 0.00 0.00 3.08 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.46 0.00 43 F 8.06 5.05 0.00 3.04 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 44 L 7.30 5.25 0.00 1.70 1.76 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.36 4.61 0.00 3.98 3.93 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 46 E 8.63 4.32 0.00 1.97 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 0.00 2.32 2.39 0.00 47 T 7.02 4.31 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 1.30 0.00 0.00 48 G 8.79 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.25 4.31 0.00 1.73 1.76 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.44 7.81 50 I 8.35 4.27 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.46 0.92 0.00 0.00 51 L 9.23 4.20 0.00 1.63 1.64 1.05 0.92 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 52 P 0.00 4.47 0.00 2.17 1.96 0.00 3.63 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 53 R 9.10 4.33 0.00 1.81 1.98 0.00 3.63 0.00 0.00 3.29 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.53 0.00 54 R 7.85 4.36 0.00 1.89 2.02 0.00 3.07 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 55 R 8.80 4.71 0.00 1.94 1.94 0.00 3.30 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 56 T 8.56 3.87 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 1.17 0.00 0.00 57 G 8.15 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.20 4.42 0.00 1.58 1.63 0.66 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 59 S 7.89 4.89 0.00 3.96 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 60 G 8.49 3.88 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 0.00 0.00 0.00 61 K 7.82 3.89 0.00 1.74 1.82 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.52 7.81 62 E 8.11 3.69 0.00 2.17 1.85 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 2.29 2.31 0.00 63 Q 8.89 3.74 0.00 2.03 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 64 R 8.04 3.91 0.00 2.06 2.12 0.00 3.13 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 65 I 8.33 3.96 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.85 0.94 0.00 0.00 66 L 8.05 3.97 0.00 1.74 1.87 1.31 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.06 4.05 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 68 K 7.58 3.99 0.00 2.02 1.82 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.47 7.81 69 T 8.05 3.98 4.55 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 1.35 0.00 0.00 70 I 8.42 3.80 1.88 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.19 0.87 0.00 0.00 71 K 7.93 3.84 0.00 1.91 1.81 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.53 7.81 72 R 7.77 3.81 0.00 1.89 1.68 0.00 3.14 0.00 0.00 2.75 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.79 0.00 73 A 7.83 4.15 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 74 R 7.63 4.57 0.00 1.60 0.70 0.00 2.58 0.00 0.00 2.25 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.43 0.00 75 I 7.38 3.87 1.92 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 1.58 0.88 1.00 0.00 0.00 76 L 7.94 4.25 0.00 1.92 1.76 1.08 1.16 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 77 G 8.68 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.93 4.15 0.00 1.69 1.77 1.01 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.57 4.84 0.00 1.69 1.46 0.91 0.98 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 80 P 0.00 4.91 0.00 2.22 2.08 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 81 F 8.67 4.29 0.00 3.00 3.19 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 0.00 82 T 7.39 4.38 4.33 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 1.27 0.00 0.00 83 E 8.68 4.79 0.00 2.12 1.83 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 2.24 2.24 0.00 84 K 8.30 4.25 0.00 1.75 1.74 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.43 7.81 85 L 8.18 4.46 0.00 1.58 1.58 0.93 0.94 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 86 V 8.06 3.95 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 0.86 0.00 0.00 0.93 0.00 0.00 87 R 8.77 4.09 0.00 1.90 2.09 0.00 3.49 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.44 0.00 88 K 8.70 4.19 0.00 1.91 1.85 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.42 7.81