NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.5227 0.0000 0.0000 62.7385 33.7701 174.4048 2 F 5.3501 8.6144 121.2128 56.2979 41.8069 172.1116 3 I 4.1428 9.2645 128.5916 59.4799 39.5390 173.7724 4 E 4.7226 8.1786 128.1241 54.3423 31.6990 174.5145 5 C 4.7478 9.0925 124.7835 58.2962 31.2032 172.5288 6 H 5.4927 8.9044 121.7846 54.2022 29.9771 174.0543 7 I 4.8386 8.6822 116.1991 58.4489 41.5689 174.5641 8 A 4.6907 8.5051 124.0800 51.8451 18.8414 177.5496 9 T 4.0298 8.5075 116.2010 62.7518 67.6789 172.9714 10 G 3.4589 8.6834 118.7283 45.3698 0.0000 174.0257 11 L 4.2957 7.4487 121.3737 53.8395 42.7134 177.4865 12 S 4.3447 8.3484 117.1285 58.1406 65.0218 175.6235 13 V 3.5374 8.3169 121.9278 66.1770 31.2892 178.0128 14 A 3.9749 7.9954 119.9778 55.3526 18.2405 179.4837 15 R 3.8761 7.9192 116.7040 59.3948 30.1579 178.8806 16 K 4.0175 8.2725 118.5209 59.5259 32.0266 179.3978 17 Q 4.0183 8.3062 118.5086 58.9440 28.6362 178.5478 18 Q 3.9657 8.1491 120.7519 58.7795 28.9804 177.7631 19 L 3.9209 7.9632 121.5224 58.3453 42.1476 179.0741 20 I 3.7017 7.7817 119.5436 64.4349 37.0339 178.5926 21 R 3.9451 8.0444 118.8305 59.4904 29.8332 178.9125 22 D 4.3637 8.6432 118.9884 57.2458 40.7949 178.9812 23 V 3.5699 8.1400 119.1523 65.9728 31.4503 178.1180 24 I 3.7000 7.8260 119.5121 64.3521 36.8989 177.8540 25 D 4.2764 8.1592 118.7128 57.4593 41.1885 178.2589 26 V 3.5883 8.0073 118.9479 66.4028 31.3462 178.1774 27 T 3.8332 8.0200 115.1910 66.6669 68.4006 176.0414 28 N 4.3701 8.4307 119.3321 57.0161 38.7067 176.9689 29 K 4.1105 8.3880 118.8086 58.4873 32.1551 178.6396 30 S 4.5351 7.7521 112.9816 59.3649 64.0604 174.9986 31 I 4.2048 8.0813 120.4417 60.2584 38.5810 176.7291 32 G 3.9654 8.1297 108.1018 45.1064 0.0000 173.9973 33 S 4.1934 7.6815 115.8948 57.8327 63.5723 173.5817 34 D 4.3650 8.7446 124.1262 54.0310 41.5096 175.1764 35 P 4.2923 0.0000 0.0000 65.7175 31.5358 178.5828 36 K 4.0499 8.2037 116.7143 58.4829 31.9805 177.6333 37 I 4.3020 7.8896 110.6617 60.3705 37.7156 175.0037 38 I 4.2978 7.5336 122.8161 60.7569 37.8416 174.7953 39 N 5.0785 9.0910 125.4464 51.4705 40.8824 174.3229 40 V 5.0292 8.5011 122.4690 60.9937 34.8895 174.1376 41 L 4.8710 9.1935 129.1555 53.1566 45.1916 174.4322 42 L 5.0739 8.6558 127.9098 53.3017 44.0481 175.2417 43 V 4.3926 9.0136 126.4718 61.1472 34.1205 173.8427 44 E 5.1389 8.7227 127.0042 55.2651 31.4836 175.0170 45 H 5.0869 8.8824 119.0180 53.4977 33.7554 173.0852 46 A 4.3164 8.5767 123.3664 52.2010 19.2324 178.5746 47 E 3.7975 8.9511 121.2130 59.5055 29.6476 179.4714 48 A 3.9763 7.9523 119.6442 55.1051 18.2977 177.6752 49 N 4.7143 7.8621 110.7949 53.6647 38.9931 174.8254 50 M 4.6437 8.0800 118.6229 53.2353 34.7631 174.9686 51 S 4.7247 8.4854 116.5917 55.5598 64.5900 172.9070 52 I 4.2649 8.2150 128.8301 61.1111 38.2871 176.1836 53 S 3.8927 9.5364 119.9754 59.8264 60.1036 173.1060 54 G 3.9109 7.6383 104.6714 45.8033 0.0000 174.4364 55 R 4.3873 7.7160 118.6882 54.8811 31.3311 175.4404 56 I 4.4289 7.9651 122.2310 59.2241 39.0810 174.7450 57 H 4.0837 8.8680 124.9569 57.9085 31.1389 174.0239 58 G 3.8900 9.1201 116.1403 45.9497 0.0000 172.8926 59 E 4.8160 8.6528 125.4466 57.3117 29.4934 174.4654 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 1 P 0.00 4.52 0.00 2.17 2.30 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 2 F 8.61 5.35 0.00 2.94 2.95 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 9.26 4.14 1.82 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 1.07 0.46 0.81 0.00 0.00 4 E 8.18 4.72 0.00 1.16 1.48 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 1.90 2.21 0.00 5 C 9.09 4.75 0.00 2.78 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 6 H 8.90 5.49 0.00 3.03 3.28 0.00 5.64 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.68 4.84 1.88 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 1.29 0.88 0.91 0.00 0.00 8 A 8.51 4.69 1.24 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 0.00 0.00 0.00 9 T 8.51 4.03 4.23 0.00 0.00 0.00 0.00 0.00 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 10 G 8.68 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.45 4.30 0.00 1.65 1.60 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.35 4.34 0.00 4.04 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 13 V 8.32 3.54 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 1.04 0.00 0.00 0.93 0.00 0.00 14 A 8.00 3.97 1.32 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 0.00 0.00 0.00 15 R 7.92 3.88 0.00 1.97 2.09 0.00 3.15 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 16 K 8.27 4.02 0.00 2.05 1.84 0.00 1.71 0.00 0.00 1.82 0.00 0.00 3.15 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.58 7.81 17 Q 8.31 4.02 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 18 Q 8.15 3.97 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.58 0.00 19 L 7.96 3.92 0.00 1.91 1.87 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.78 3.70 2.02 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 1.53 0.90 0.92 0.00 0.00 21 R 8.04 3.95 0.00 2.02 1.98 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 22 D 8.64 4.36 0.00 2.81 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 23 V 8.14 3.57 2.20 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 1.02 0.00 0.00 0.92 0.00 0.00 24 I 7.83 3.70 2.03 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 1.42 0.67 0.92 0.00 0.00 25 D 8.16 4.28 0.00 2.75 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.01 3.59 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 0.97 0.00 0.00 0.94 0.00 0.00 27 T 8.02 3.83 4.42 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 28 N 8.43 4.37 0.00 2.79 2.95 0.00 0.00 7.32 5.63 0.00 0.00 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 K 8.39 4.11 0.00 1.81 1.86 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.38 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.56 7.81 30 S 7.75 4.54 0.00 4.03 3.97 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 0.00 0.00 0.00 31 I 8.08 4.20 1.99 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 1.23 0.53 0.94 0.00 0.00 32 G 8.13 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 33 S 7.68 4.19 0.00 3.88 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 34 D 8.74 4.37 0.00 2.71 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.29 0.00 2.22 2.12 0.00 3.66 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 2.12 2.14 0.00 36 K 8.20 4.05 0.00 2.06 1.88 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.39 7.81 37 I 7.89 4.30 1.88 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 1.42 0.69 0.91 0.00 0.00 38 I 7.53 4.30 1.89 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 1.25 0.79 0.94 0.00 0.00 39 N 9.09 5.08 0.00 2.75 2.72 0.00 0.00 5.97 7.26 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 40 V 8.50 5.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.96 0.00 0.00 41 L 9.19 4.87 0.00 2.06 1.75 0.97 0.53 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 42 L 8.66 5.07 0.00 1.67 1.52 0.92 0.88 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 43 V 9.01 4.39 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 0.90 0.00 0.00 0.91 0.00 0.00 44 E 8.72 5.14 0.00 1.84 1.81 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 2.21 2.29 0.00 45 H 8.88 5.09 0.00 3.04 3.12 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 46 A 8.58 4.32 1.25 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 47 E 8.95 3.80 0.00 1.45 1.60 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 2.32 2.16 0.00 48 A 7.95 3.98 1.31 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 0.00 0.00 49 N 7.86 4.71 0.00 2.88 2.84 0.00 0.00 6.78 7.76 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 50 M 8.08 4.64 0.00 1.92 1.91 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.34 0.00 51 S 8.49 4.72 0.00 3.78 3.71 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 52 I 8.21 4.26 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 1.41 1.18 0.91 0.00 0.00 53 S 9.54 3.89 0.00 4.01 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 54 G 7.64 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 0.00 0.00 0.00 55 R 7.72 4.39 0.00 2.20 1.85 0.00 3.14 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 56 I 7.97 4.43 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 1.30 0.77 0.92 0.00 0.00 57 H 8.87 4.08 0.00 3.07 3.26 0.00 5.99 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 G 9.12 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 59 E 8.65 4.82 0.00 1.86 1.74 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 2.13 2.19 0.00