NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 L 4.3473 8.0433 122.7543 54.7679 43.6129 175.8468 10 L 4.3118 8.5668 126.5145 53.8685 42.5183 174.4880 11 L 4.9216 8.1787 122.7993 53.5911 46.8742 174.8231 12 E 5.2667 8.1927 117.6569 53.9545 31.6228 174.6895 13 C 5.0122 8.5596 123.8245 59.5978 29.1279 173.3799 14 T 4.5306 7.8513 118.6292 61.0571 68.2680 173.2197 15 E 4.1204 8.2728 127.3825 55.6360 30.6273 175.9708 16 C 4.2546 8.6024 123.5623 59.2659 29.3131 172.8588 17 K 3.7977 8.3164 118.6782 56.9895 31.0101 174.9909 18 R 4.4934 7.4038 118.2134 56.8104 34.0462 174.9301 19 R 4.4163 8.2820 109.8076 55.3951 29.7435 175.2430 20 N 4.8961 8.0552 119.9681 54.7513 41.5731 172.0985 21 Y 5.7208 8.6048 115.4441 57.6693 42.6203 173.8019 22 A 4.7441 8.3982 120.4114 50.8278 23.0945 175.8269 23 T 4.2216 8.3614 110.0266 61.5283 69.0755 173.2882 24 E 4.6669 8.3471 126.6710 54.7872 33.6908 176.1313 25 K 4.6093 8.8814 119.3761 56.2612 34.7913 177.2607 26 N 4.6479 8.2418 123.9418 53.5485 39.8542 175.7756 27 K 4.4802 8.7706 117.5170 56.6354 37.0098 178.5878 28 R 3.7749 8.7800 121.0186 57.5389 29.7115 176.9539 29 N 4.5110 9.3968 112.5046 56.0197 39.8181 176.0141 30 T 3.9865 7.8950 108.9397 61.0291 69.8792 171.3573 31 P 4.3124 0.0000 0.0000 62.7525 31.9147 176.4057 32 N 5.1008 8.9244 115.2488 52.2898 40.2368 176.5258 33 K 4.0732 8.0963 119.5635 59.1860 32.8305 178.3468 34 L 4.2249 7.6452 117.5296 54.4693 41.6293 175.5072 35 E 5.7175 8.0132 125.1346 56.7223 31.3056 177.1296 36 L 5.3347 7.9232 130.2129 54.1620 40.5077 175.7962 37 R 4.1482 8.1491 117.7615 57.7215 31.6558 175.7726 38 K 4.8408 8.4643 121.6108 56.1677 33.5743 174.9112 39 Y 4.9229 9.1662 127.1454 56.7872 43.0888 172.8102 40 C 4.5858 6.4788 119.4950 56.9361 33.3145 172.0319 41 P 4.6355 0.0000 0.0000 62.1059 32.4462 175.3449 42 W 5.1199 8.5990 126.3894 59.0892 31.5055 176.0675 43 C 4.1572 8.1094 118.7098 59.8775 32.1135 173.9640 44 R 3.6643 8.6902 125.9300 56.9017 27.5926 176.2802 45 K 4.1049 8.7456 119.4596 57.9595 35.9067 170.4268 46 H 4.2073 9.8139 130.1861 55.6569 28.0691 173.8951 47 T 4.5931 8.5887 113.8409 60.9071 72.5255 173.2181 48 V 4.3188 8.2934 114.2781 61.8555 33.5478 175.7048 49 H 5.6277 8.7274 118.9179 54.2138 33.0087 174.0554 50 R 4.1375 8.5549 122.7338 55.6500 30.1184 175.7851 51 E 3.9622 9.0263 121.6007 54.1287 29.4386 176.9562 52 V 3.6902 7.7689 121.2144 63.4676 32.6735 172.7005 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 9 L 8.04 4.35 0.00 1.74 1.62 0.92 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.57 4.31 0.00 1.64 1.57 0.96 0.62 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 11 L 8.18 4.92 0.00 1.70 1.47 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.19 5.27 0.00 2.29 1.94 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 2.65 2.29 0.00 13 C 8.56 5.01 0.00 2.73 2.86 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 14 T 7.85 4.53 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 1.13 0.00 0.00 15 E 8.27 4.12 0.00 1.94 1.72 0.00 0.00 0.00 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 16 C 8.60 4.25 0.00 2.85 2.81 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 0.00 0.00 0.00 17 K 8.32 3.80 0.00 1.81 1.80 0.00 1.85 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.32 1.34 7.81 18 R 7.40 4.49 0.00 1.86 1.59 0.00 3.61 0.00 0.00 3.30 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.42 0.00 19 R 8.28 4.42 0.00 1.85 1.93 0.00 3.12 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.62 0.00 20 N 8.06 4.90 0.00 2.91 2.82 0.00 0.00 6.85 7.56 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 21 Y 8.60 5.72 0.00 2.85 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 22 A 8.40 4.74 0.71 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 0.00 0.00 23 T 8.36 4.22 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 1.20 0.00 0.00 24 E 8.35 4.67 0.00 1.85 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 2.10 2.35 0.00 25 K 8.88 4.61 0.00 1.58 1.68 0.00 1.72 0.00 0.00 1.47 0.00 0.00 2.73 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.18 7.81 26 N 8.24 4.65 0.00 2.71 2.76 0.00 0.00 7.07 6.68 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 27 K 8.77 4.48 0.00 1.77 1.72 0.00 1.88 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.36 7.81 28 R 8.78 3.77 0.00 1.87 1.67 0.00 3.29 0.00 0.00 3.22 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 29 N 9.40 4.51 0.00 2.75 2.86 0.00 0.00 6.84 7.54 0.00 0.00 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 T 7.90 3.99 4.24 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 1.21 0.00 0.00 31 P 0.00 4.31 0.00 2.06 2.09 0.00 3.64 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 2.03 2.16 0.00 32 N 8.92 5.10 0.00 2.71 2.94 0.00 0.00 6.87 6.94 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 33 K 8.10 4.07 0.00 1.74 1.87 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.37 7.81 34 L 7.65 4.22 0.00 1.75 1.71 0.92 0.54 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 35 E 8.01 5.72 0.00 2.02 1.99 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 2.04 2.10 0.00 36 L 7.92 5.33 0.00 1.75 1.67 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.15 4.15 0.00 1.82 1.93 0.00 3.17 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 38 K 8.46 4.84 0.00 1.83 1.77 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.63 7.81 39 Y 9.17 4.92 0.00 2.70 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 0.00 0.00 0.00 40 C 6.48 4.59 0.00 2.40 2.27 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 41 P 0.00 4.64 0.00 2.45 2.38 0.00 3.86 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 2.06 2.03 0.00 42 W 8.60 5.12 0.00 3.19 3.12 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 0.00 0.00 0.00 0.00 43 C 8.11 4.16 0.00 3.00 2.86 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 44 R 8.69 3.66 0.00 1.98 1.83 0.00 3.31 0.00 0.00 3.21 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 45 K 8.75 4.10 0.00 1.69 1.71 0.00 1.93 0.00 0.00 1.95 0.00 0.00 3.16 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.37 7.81 46 H 9.81 4.21 0.00 3.33 3.38 0.00 5.74 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 47 T 8.59 4.59 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 V 8.29 4.32 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 0.78 0.00 0.00 0.94 0.00 0.00 49 H 8.73 5.63 0.00 3.28 3.19 0.00 5.81 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.55 4.14 0.00 1.69 1.85 0.00 3.28 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.55 0.00 51 E 9.03 3.96 0.00 2.05 1.79 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 2.39 2.32 0.00 52 V 7.77 3.69 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 0.99 0.00 0.00 0.92 0.00 0.00