NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.0891 8.3101 121.7854 55.2043 33.9940 174.4280 20 A 4.4228 7.6752 129.5944 51.5241 19.0788 173.7547 21 K 4.1515 8.0462 120.9614 56.7841 33.0377 177.2165 22 V 3.5679 8.2613 124.3486 64.2229 31.7044 177.9763 23 K 3.8915 7.9842 119.8298 59.6889 32.4455 177.6085 24 A 4.2248 8.2204 121.9287 55.3224 18.2088 180.0228 25 T 4.2197 7.3412 110.2088 63.4193 67.6043 173.6715 26 L 4.4110 8.3878 120.8659 54.3014 46.8009 175.3088 27 G 4.2526 8.1984 109.1256 45.1038 0.0000 174.7907 28 E 4.1248 8.9697 123.0714 56.6649 28.2904 175.5861 29 F 4.8711 8.0671 117.5816 54.6105 40.7746 175.3812 30 D 4.4154 8.5348 123.9940 53.1502 39.6868 176.3822 31 L 4.5779 7.7629 127.1955 55.8396 40.1536 178.1335 32 R 4.4005 8.1087 120.4007 57.0681 31.8044 175.1379 33 D 4.2927 7.5714 117.9766 54.0496 41.4295 175.5193 34 Y 4.8557 7.2825 126.1477 57.1838 38.9329 176.7893 35 R 4.4661 7.9432 118.8289 58.8399 34.1942 176.8874 36 N 4.6873 8.2101 115.4802 54.6513 34.0576 175.6274 37 V 2.9940 6.5186 110.1435 63.4463 33.3597 178.2607 38 E 4.1217 8.2100 126.2940 60.3465 30.0802 179.1274 39 V 3.6785 8.2741 119.3999 65.2653 31.5632 177.8214 40 L 3.7259 7.7936 117.5750 58.1517 41.7017 179.6494 41 K 4.1717 9.2278 119.9660 59.4883 31.8522 177.1599 42 R 4.4772 7.6735 116.0171 56.4036 28.5291 176.2041 43 F 4.6395 8.9109 114.4080 57.1032 40.4991 175.6573 44 L 5.6607 7.5819 120.4835 57.0805 41.7622 177.4548 45 S 3.7284 7.2302 116.4118 58.6636 66.2650 173.6597 46 E 4.7649 8.6280 121.6416 56.1214 31.1263 175.5645 47 T 5.4095 8.2150 105.4637 60.5224 70.6980 173.9974 48 G 4.0669 9.0261 110.9440 46.1764 0.0000 174.5917 49 K 3.9256 7.7862 117.8737 56.5448 33.4243 176.4034 50 I 4.6426 8.6084 122.6574 64.9532 35.8443 177.0363 51 L 3.4339 7.4943 117.0691 52.4057 39.7740 175.4554 52 P 4.3591 0.0000 0.0000 62.6712 31.4469 176.7386 53 R 4.5075 8.3269 115.9589 58.2454 30.0938 177.7903 54 R 4.2212 8.0058 114.8604 57.8429 30.4119 177.0363 55 R 4.4081 7.8067 115.8333 57.3958 33.1466 176.7243 56 T 3.9736 7.9980 105.8675 61.7974 69.1506 175.3896 57 G 4.2467 7.7885 109.8211 46.6357 0.0000 174.4090 58 L 4.5164 7.4497 122.4902 53.6830 43.7101 176.4907 59 S 4.6944 8.1559 112.7544 56.7192 65.1371 174.9054 60 A 4.1096 8.3662 125.0527 55.3031 17.4858 179.7539 61 K 3.9112 7.9801 117.4319 59.5388 32.4162 178.7882 62 E 3.9213 7.9636 118.3563 59.6138 29.7335 178.6788 63 Q 4.0554 8.9028 120.6409 60.1060 28.9781 178.1667 64 R 4.0830 7.9658 119.4382 57.9229 29.5731 178.4024 65 I 3.7006 7.8576 113.0773 64.9324 37.4355 177.0496 66 L 4.0464 8.1226 122.3571 56.6484 41.8077 178.2168 67 A 4.0644 8.2462 120.1201 55.4319 18.4016 179.9966 68 K 3.8979 8.0336 116.8280 59.8818 32.1118 179.7345 69 T 3.9244 7.5210 109.2642 64.7487 68.6839 176.4118 70 I 3.6458 8.2776 123.0166 64.1292 37.1364 178.4286 71 K 3.7442 8.1710 119.0558 59.5121 31.8141 179.2526 72 R 3.7956 8.0942 118.2745 59.5738 30.0561 178.8611 73 A 4.0697 8.3011 120.3127 55.2286 18.2899 179.7221 74 R 4.5997 7.7539 117.8441 59.1483 29.8939 179.3441 75 I 3.9417 7.6131 118.3221 63.8970 37.0302 177.2977 76 L 4.6092 7.4626 118.3870 53.5799 41.7214 176.5832 77 G 4.1603 7.9601 105.9236 46.6486 0.0000 175.2415 78 L 4.3821 8.2024 120.0215 55.5909 42.9445 177.3012 79 L 4.7168 7.5382 118.1994 51.9104 43.4267 174.3056 80 P 4.6893 0.0000 0.0000 62.9696 31.8022 176.6844 81 F 4.1839 8.9273 119.7879 59.5923 39.6196 175.2532 82 T 4.5911 7.0679 111.1481 63.9735 70.9800 170.2711 83 E 5.7260 7.9729 126.0509 56.0492 30.3885 176.7404 84 K 4.4046 8.0761 122.8899 55.8568 32.8865 176.4923 85 L 4.3246 8.1458 123.5270 54.5731 43.1506 175.7784 86 V 4.2276 7.8852 119.5270 61.6677 33.8538 175.6036 87 R 3.4601 8.6484 114.9464 57.4649 27.5383 176.1715 88 K 4.1562 8.0968 121.9601 56.7981 33.2045 176.5733 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 19 K 8.31 4.09 0.00 1.70 1.88 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.49 7.81 20 A 7.68 4.42 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 21 K 8.05 4.15 0.00 1.78 1.76 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.37 7.81 22 V 8.26 3.57 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.75 0.00 0.00 23 K 7.98 3.89 0.00 2.04 1.85 0.00 1.92 0.00 0.00 1.86 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.58 7.81 24 A 8.22 4.22 1.35 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 0.00 0.00 0.00 25 T 7.34 4.22 4.13 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 1.15 0.00 0.00 26 L 8.39 4.41 0.00 1.55 1.48 0.47 0.65 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 27 G 8.20 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 0.00 0.00 0.00 0.00 28 E 8.97 4.12 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 29 F 8.07 4.87 0.00 3.08 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 30 D 8.53 4.42 0.00 2.72 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.76 4.58 0.00 1.79 1.68 0.84 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.11 4.40 0.00 1.67 2.26 0.00 3.32 0.00 0.00 3.14 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 33 D 7.57 4.29 0.00 2.82 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 7.28 4.86 0.00 3.08 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 35 R 7.94 4.47 0.00 1.84 1.90 0.00 3.16 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.54 0.00 36 N 8.21 4.69 0.00 2.86 2.98 0.00 0.00 6.26 7.68 0.00 0.00 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 6.52 2.99 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 0.86 0.00 0.00 0.94 0.00 0.00 38 E 8.21 4.12 0.00 1.92 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 0.00 2.33 2.42 0.00 39 V 8.27 3.68 2.19 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 0.81 0.00 0.00 0.96 0.00 0.00 40 L 7.79 3.73 0.00 1.75 1.61 1.05 0.82 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 41 K 9.23 4.17 0.00 2.02 1.92 0.00 1.54 0.00 0.00 1.59 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.57 7.81 42 R 7.67 4.48 0.00 1.86 1.96 0.00 3.13 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 43 F 8.91 4.64 0.00 3.13 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 7.58 5.66 0.00 1.59 1.63 0.93 0.94 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 45 S 7.23 3.73 0.00 4.05 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.63 4.76 0.00 1.91 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 2.19 2.21 0.00 47 T 8.22 5.41 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 1.26 0.00 0.00 48 G 9.03 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 49 K 7.79 3.93 0.00 1.80 1.80 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.55 1.46 7.81 50 I 8.61 4.64 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.77 0.95 0.00 0.00 51 L 7.49 3.43 0.00 1.75 1.72 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.36 0.00 2.22 2.26 0.00 3.69 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 53 R 8.33 4.51 0.00 1.90 1.98 0.00 3.28 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 54 R 8.01 4.22 0.00 1.84 1.97 0.00 3.20 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 55 R 7.81 4.41 0.00 1.89 1.82 0.00 3.25 0.00 0.00 3.36 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.49 0.00 56 T 8.00 3.97 4.50 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 1.41 0.00 0.00 57 G 7.79 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 0.00 0.00 0.00 0.00 58 L 7.45 4.52 0.00 1.76 1.73 1.38 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.16 4.69 0.00 3.93 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 60 A 8.37 4.11 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 61 K 7.98 3.91 0.00 1.83 1.81 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.52 7.81 62 E 7.96 3.92 0.00 2.32 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 2.37 2.35 0.00 63 Q 8.90 4.06 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 64 R 7.97 4.08 0.00 2.05 1.86 0.00 3.21 0.00 0.00 3.22 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.94 0.00 65 I 7.86 3.70 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.94 0.90 0.00 0.00 66 L 8.12 4.05 0.00 1.76 1.83 0.62 0.75 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 67 A 8.25 4.06 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 8.03 3.90 0.00 2.02 1.86 0.00 1.54 0.00 0.00 1.84 0.00 0.00 3.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.47 7.81 69 T 7.52 3.92 4.34 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 1.39 0.00 0.00 70 I 8.28 3.65 1.92 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 1.60 0.97 0.85 0.00 0.00 71 K 8.17 3.74 0.00 1.93 1.78 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.53 7.81 72 R 8.09 3.80 0.00 1.94 1.69 0.00 3.08 0.00 0.00 2.70 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.76 0.00 73 A 8.30 4.07 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.75 4.60 0.00 1.91 1.58 0.00 2.82 0.00 0.00 2.34 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.48 0.00 75 I 7.61 3.94 2.12 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.55 0.92 0.00 0.00 76 L 7.46 4.61 0.00 1.79 1.72 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.96 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.20 4.38 0.00 1.82 1.77 1.01 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.54 4.72 0.00 1.69 1.56 0.92 1.11 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 80 P 0.00 4.69 0.00 2.08 2.14 0.00 3.70 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 81 F 8.93 4.18 0.00 2.94 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 7.07 4.59 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 1.28 0.00 0.00 83 E 7.97 5.73 0.00 2.32 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 0.00 2.25 2.17 0.00 84 K 8.08 4.40 0.00 1.78 1.79 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.38 7.81 85 L 8.15 4.32 0.00 1.59 1.59 0.92 0.85 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 86 V 7.89 4.23 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 0.92 0.00 0.00 0.93 0.00 0.00 87 R 8.65 3.46 0.00 2.03 2.04 0.00 3.21 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 88 K 8.10 4.16 0.00 1.70 1.67 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.36 7.81