NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1419 8.2549 120.8446 55.0502 31.5483 175.2585 2 P 4.0432 0.0000 0.0000 60.9185 31.6805 175.3551 3 D 4.5840 8.3110 119.6457 54.1861 40.5694 176.3809 4 F 4.8029 7.1528 114.6423 57.4830 39.0521 178.1834 5 C 4.5393 7.6453 118.4602 59.1347 40.0716 174.2624 6 L 4.7611 7.8396 117.7231 54.3921 41.6315 176.0336 7 E 4.4246 7.7081 118.5199 54.7282 30.3908 174.9319 8 P 4.3138 0.0000 0.0000 61.5332 32.0348 174.7105 9 P 3.7245 0.0000 0.0000 62.6598 31.5121 175.4986 10 Y 4.5417 7.5717 119.2529 56.0124 40.5515 175.1981 11 T 4.2102 8.2898 125.4821 65.0971 68.8492 176.1348 12 G 3.7549 6.8408 107.0878 44.0568 0.0000 170.9581 13 P 4.4072 0.0000 0.0000 63.2005 31.8784 176.8608 14 G 3.6546 7.6625 108.7806 45.8451 0.0000 174.1544 15 K 4.2473 8.2144 117.9508 55.9583 33.0019 176.6953 16 A 4.1864 7.5284 121.8026 51.8583 19.9122 177.2165 17 R 4.9112 8.1005 117.0726 54.3493 30.6980 173.4730 18 I 4.2884 8.6702 122.7401 59.6325 39.4997 174.8712 19 I 4.3776 8.3298 128.3793 60.9980 37.7132 175.2604 20 R 4.7728 8.3005 126.2705 54.4296 34.1350 174.1523 21 Y 5.6165 9.4037 116.9991 56.5579 41.4711 175.3831 22 F 5.7777 9.5749 117.2095 55.2176 41.9217 173.1742 23 Y 4.4796 9.8353 122.3505 57.0680 39.9430 173.8854 24 N 4.5109 8.3938 126.9455 52.8126 39.3129 175.0284 25 A 3.9967 9.1173 130.0549 55.5397 18.5748 178.6637 26 K 4.0833 8.0462 112.9228 59.1720 33.2198 178.0347 27 A 4.0700 8.1891 121.5488 52.2585 18.9710 178.0329 28 G 3.7684 8.1770 103.4505 45.6503 0.0000 173.0993 29 L 4.9029 6.9897 117.4624 52.0644 45.8579 175.7031 30 A 4.5936 8.4958 123.2540 52.0982 19.2964 176.7672 31 Q 4.6505 8.7604 122.2364 54.3306 32.9762 174.5027 32 T 4.6607 8.5069 114.7876 61.7409 70.1979 173.2737 33 F 5.0583 9.0635 117.3085 55.7367 42.1376 173.0676 34 V 4.2262 8.4396 119.8459 62.1696 32.1876 174.1788 35 Y 4.8386 8.7992 130.0942 55.9292 40.9907 176.1069 36 G 3.9578 8.2170 112.8214 45.8249 0.0000 175.1308 37 G 3.8696 6.6949 108.3944 44.9886 0.0000 173.9863 38 V 4.5245 6.2090 110.5363 60.7447 35.6043 174.3100 39 R 3.9082 8.8261 117.6470 56.7306 27.2896 176.7357 40 A 4.1677 8.5030 118.9884 52.9389 18.7366 178.6017 41 K 4.2813 8.3260 120.6375 55.2532 33.7623 177.0924 42 R 3.6234 7.9505 117.4533 58.0760 30.5161 177.4599 43 N 4.8188 7.7748 118.1003 51.2721 37.3242 173.6908 44 N 4.9937 6.5058 116.1878 52.8510 41.3550 173.1533 45 F 5.0469 9.4923 124.8364 55.5872 42.5380 176.5247 46 K 4.3944 8.8512 121.4862 58.2350 32.7934 177.7413 47 S 4.2268 7.7363 112.6727 55.3814 67.1285 174.5198 48 A 3.6541 7.0414 124.8021 55.2321 18.1133 180.0115 49 E 3.8245 7.7755 115.5772 59.5211 29.7477 178.9883 50 D 4.2331 8.0910 119.6530 56.9625 40.8365 178.4456 51 A 2.0000 7.4147 120.8148 54.6413 18.3509 179.7632 52 L 3.8179 7.8411 117.4176 57.7580 41.4446 179.8765 53 R 3.8502 7.6534 117.3038 59.4180 30.0393 178.8501 54 T 4.1514 7.4573 114.3699 65.7409 68.8637 175.5828 55 C 4.6666 7.7210 114.7352 56.4079 41.8401 175.4956 56 G 3.2921 7.6016 109.9102 47.8039 0.0000 174.6602 57 G 3.6914 7.6820 108.3034 44.1291 0.0000 173.3255 58 A 4.1299 8.6018 125.5705 52.5053 18.2340 177.1997 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 R 8.25 4.14 0.00 1.59 1.81 0.00 3.15 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.58 0.00 2 P 0.00 4.04 0.00 1.05 1.62 0.00 3.34 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 3 D 8.31 4.58 0.00 2.79 2.76 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 0.00 0.00 0.00 0.00 4 F 7.15 4.80 0.00 3.24 3.31 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 5 C 7.65 4.54 0.00 2.95 3.10 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 6 L 7.84 4.76 0.00 1.66 1.72 0.96 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.71 4.42 0.00 2.10 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 2.50 2.47 0.00 8 P 0.00 4.31 0.00 1.95 1.89 0.00 3.68 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 9 P 0.00 3.72 0.00 0.89 0.49 0.00 3.23 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.60 0.00 10 Y 7.57 4.54 0.00 2.79 2.88 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 11 T 8.29 4.21 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 1.18 0.00 0.00 12 G 6.84 3.75 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 0.00 0.00 0.00 13 P 0.00 4.41 0.00 2.18 2.18 0.00 3.83 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 14 G 7.66 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.21 4.25 0.00 1.67 1.80 0.00 1.60 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.43 7.81 16 A 7.53 4.19 1.19 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 0.00 0.00 17 R 8.10 4.91 0.00 1.60 1.78 0.00 3.16 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 18 I 8.67 4.29 2.02 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.53 0.96 0.00 0.00 19 I 8.33 4.38 1.81 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.70 0.70 0.00 0.00 20 R 8.30 4.77 0.00 0.81 1.97 0.00 3.41 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.45 0.00 21 Y 9.40 5.62 0.00 3.15 3.02 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 0.00 0.00 0.00 22 F 9.57 5.78 0.00 3.26 2.97 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 23 Y 9.84 4.48 0.00 3.01 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 24 N 8.39 4.51 0.00 2.29 2.44 0.00 0.00 6.59 9.28 0.00 0.00 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 A 9.12 4.00 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 26 K 8.05 4.08 0.00 1.85 1.95 0.00 1.44 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.67 7.81 27 A 8.19 4.07 1.26 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 0.00 0.00 0.00 28 G 8.18 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 29 L 6.99 4.90 0.00 1.41 1.44 0.88 0.80 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 30 A 8.50 4.59 1.27 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 0.00 0.00 31 Q 8.76 4.65 0.00 1.78 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.90 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 32 T 8.51 4.66 4.03 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 0.63 0.00 0.00 33 F 9.06 5.06 0.00 3.11 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 34 V 8.44 4.23 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 0.72 0.00 0.00 0.92 0.00 0.00 35 Y 8.80 4.84 0.00 2.48 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.22 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 37 G 6.69 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 6.21 4.52 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 0.73 0.00 0.00 0.89 0.00 0.00 39 R 8.83 3.91 0.00 2.17 2.18 0.00 3.30 0.00 0.00 3.31 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 40 A 8.50 4.17 1.10 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 41 K 8.33 4.28 0.00 1.69 1.64 0.00 1.49 0.00 0.00 1.42 0.00 0.00 2.13 0.00 0.00 2.30 0.00 0.00 0.00 0.00 1.02 0.99 7.81 42 R 7.95 3.62 0.00 0.85 0.66 0.00 2.65 0.00 0.00 2.88 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.23 0.00 43 N 7.77 4.82 0.00 3.20 2.87 0.00 0.00 6.72 7.79 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 44 N 6.51 4.99 0.00 2.65 2.54 0.00 0.00 7.08 7.02 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 45 F 9.49 5.05 0.00 3.31 2.96 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 46 K 8.85 4.39 0.00 1.84 1.94 0.00 1.78 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.48 7.81 47 S 7.74 4.23 0.00 3.78 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 48 A 7.04 3.65 1.03 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 0.00 0.00 49 E 7.78 3.82 0.00 2.13 2.13 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 2.25 2.32 0.00 50 D 8.09 4.23 0.00 2.93 2.88 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 51 A 7.41 2.00 1.26 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 0.00 0.00 0.00 52 L 7.84 3.82 0.00 1.61 1.65 0.90 0.91 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 53 R 7.65 3.85 0.00 1.83 1.93 0.00 3.12 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 54 T 7.46 4.15 4.11 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 55 C 7.72 4.67 0.00 2.66 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 7.60 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 7.68 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.60 4.13 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