NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4373 8.3344 115.4263 57.7447 64.7338 173.6098 2 H 4.3041 8.3617 124.0065 56.3078 31.2208 173.7370 3 Y 4.3897 8.0161 117.2840 57.2093 39.4599 174.7288 4 E 4.2344 8.5889 121.8735 56.6465 30.2411 176.0608 5 E 4.6244 8.4444 119.5506 55.0339 33.8613 175.5278 6 G 3.9048 8.8239 105.5754 43.9002 0.0000 171.0852 7 P 4.1863 0.0000 0.0000 64.4173 31.3645 177.1907 8 G 3.8519 8.9570 110.3731 45.6380 0.0000 173.6284 9 K 4.4521 7.8876 117.3695 55.8439 33.8619 176.2254 10 N 4.9223 7.9135 115.9865 52.3634 38.1277 174.6095 11 I 4.4982 7.1075 110.8160 59.2237 40.4733 173.8515 12 P 4.3925 0.0000 0.0000 63.7031 31.5490 175.9522 13 F 4.9694 6.7306 113.4764 54.8201 40.4874 174.7227 14 S 4.3286 8.6327 117.4017 58.1634 63.2796 174.0393 15 V 4.4954 8.1051 124.8315 61.6651 31.6310 176.3141 16 E 4.2084 7.9497 117.8612 57.3648 29.4515 177.1778 17 N 4.5683 7.8965 117.7952 51.5337 41.3693 174.5044 18 K 3.6960 8.6043 129.6224 59.9389 32.3180 178.7723 19 W 4.4371 7.8656 119.5262 59.5156 29.0900 178.3735 20 R 4.0430 8.5900 118.8575 59.0083 29.4862 178.2972 21 L 3.9464 8.0823 120.3670 58.0231 42.0766 178.4575 22 L 3.9228 8.2026 120.3518 58.2728 41.9696 178.8858 23 A 4.0396 8.0394 120.2178 55.5740 18.3148 179.5302 24 M 4.0533 8.4268 117.5962 58.9249 32.0260 179.0191 25 M 4.1386 8.7663 119.1192 58.5238 32.0680 179.0343 26 T 3.9805 8.1737 116.2078 66.6334 68.5919 176.7907 27 L 4.0344 8.1237 120.8931 58.2570 41.5420 178.6032 28 F 4.0216 8.5754 120.6533 61.8625 39.1667 177.1071 29 F 4.2105 8.8308 117.1758 60.2102 38.8724 178.1556 30 G 3.7719 8.3599 105.8710 47.9426 0.0000 175.8598 31 S 4.2663 8.5459 117.8157 61.0419 62.6686 176.8257 32 G 3.5204 7.5782 108.4863 47.5232 0.0000 175.2278 33 F 4.3641 8.3510 121.9492 60.8436 39.6959 176.9106 34 A 4.3824 8.6718 120.6844 54.7267 18.1841 179.0131 35 A 4.0167 8.0661 119.6049 55.4385 18.3362 178.0148 36 P 4.0944 0.0000 0.0000 65.8260 31.4400 178.8765 37 F 3.9565 7.9476 115.9652 60.4312 38.8815 177.3130 38 F 4.1815 8.2955 116.4360 59.6383 38.7592 178.0287 39 I 3.8735 7.7136 120.2109 64.1708 36.9778 178.3346 40 V 3.5492 7.9577 119.3188 65.8296 31.2863 178.1383 41 R 3.8165 7.9016 118.2989 59.7472 29.7734 177.9772 42 H 4.2149 8.1731 116.7016 59.4571 29.8703 176.9349 43 Q 4.0788 8.1361 119.2349 58.7285 28.6073 178.2165 44 L 4.1866 7.6983 119.4464 57.1629 41.6251 178.2685 45 L 4.4893 7.5940 117.1849 54.8264 41.7720 177.3728 46 K 4.3028 8.7281 120.2250 55.3485 33.7270 176.3380 47 K 3.9506 7.9727 123.1993 56.8380 32.6051 173.8080 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 S 8.33 4.44 0.00 3.99 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 2 H 8.36 4.30 0.00 2.92 2.73 0.00 5.92 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.02 4.39 0.00 3.05 2.85 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 4 E 8.59 4.23 0.00 1.97 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 2.33 2.28 0.00 5 E 8.44 4.62 0.00 1.90 1.80 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 2.22 2.48 0.00 6 G 8.82 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.19 0.00 2.02 2.02 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 8 G 8.96 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 0.00 0.00 0.00 9 K 7.89 4.45 0.00 1.83 1.79 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.57 7.81 10 N 7.91 4.92 0.00 2.75 2.84 0.00 0.00 5.84 7.81 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 11 I 7.11 4.50 0.89 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.46 0.70 0.00 0.00 12 P 0.00 4.39 0.00 2.23 2.20 0.00 3.67 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 2.17 1.99 0.00 13 F 6.73 4.97 0.00 3.21 2.91 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 14 S 8.63 4.33 0.00 3.86 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 15 V 8.11 4.50 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 0.76 0.00 0.00 1.01 0.00 0.00 16 E 7.95 4.21 0.00 1.93 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 2.37 0.00 17 N 7.90 4.57 0.00 2.84 2.69 0.00 0.00 6.90 6.47 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 18 K 8.60 3.70 0.00 1.52 1.77 0.00 0.95 0.00 0.00 1.12 0.00 0.00 2.73 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.86 0.21 7.81 19 W 7.87 4.44 0.00 3.60 3.25 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 20 R 8.59 4.04 0.00 1.97 2.11 0.00 3.14 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 21 L 8.08 3.95 0.00 1.90 1.72 1.04 0.38 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 22 L 8.20 3.92 0.00 2.08 1.93 1.26 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.04 4.04 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 0.00 0.00 0.00 0.00 0.00 24 M 8.43 4.05 0.00 1.98 2.20 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.60 0.00 25 M 8.77 4.14 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.47 0.00 26 T 8.17 3.98 4.59 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 1.27 0.00 0.00 27 L 8.12 4.03 0.00 1.95 1.76 1.01 0.83 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 28 F 8.58 4.02 0.00 3.02 2.89 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 29 F 8.83 4.21 0.00 3.18 3.07 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 30 G 8.36 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.55 4.27 0.00 4.00 4.22 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 32 G 7.58 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.35 4.36 0.00 3.20 3.37 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 0.00 34 A 8.67 4.38 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.07 4.02 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.09 0.00 1.63 1.84 0.00 3.69 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.06 0.00 37 F 7.95 3.96 0.00 3.10 2.82 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 F 8.30 4.18 0.00 3.24 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 39 I 7.71 3.87 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.78 0.91 0.00 0.00 40 V 7.96 3.55 2.16 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 0.95 0.00 0.00 0.81 0.00 0.00 41 R 7.90 3.82 0.00 1.95 2.07 0.00 3.13 0.00 0.00 2.92 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 42 H 8.17 4.21 0.00 3.23 3.62 0.00 6.00 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.14 4.08 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 44 L 7.70 4.19 0.00 1.87 1.72 0.90 1.03 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 45 L 7.59 4.49 0.00 1.63 1.68 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.73 4.30 0.00 1.67 1.80 0.00 1.60 0.00 0.00 1.50 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.27 1.41 7.81 47 K 7.97 3.95 0.00 1.81 1.75 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.18 1.09 7.81