NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 S 4.4676 8.1776 115.4131 58.1337 63.0741 173.8242 30 K 3.6879 8.3519 127.8356 57.5129 32.5796 176.5262 31 Q 4.2989 8.6873 119.7766 58.0646 28.3336 178.4210 32 K 4.2189 7.8698 118.6847 57.4767 32.3103 179.3823 33 V 3.6958 7.2718 120.4142 65.0735 31.4555 178.1669 34 Q 3.8226 8.1678 118.7493 58.7210 28.6331 178.6979 35 M 3.7367 7.6125 118.4074 58.5071 32.0131 179.4786 36 S 3.6899 7.4296 114.0120 61.5929 63.0033 176.5749 37 I 3.8167 7.4725 122.0467 64.9078 36.8280 178.1420 38 H 4.2074 8.2733 116.9574 58.9452 28.6085 177.6904 39 Q 3.8332 7.7500 121.2077 59.1248 28.8847 178.1516 40 F 4.2267 8.3023 119.1155 60.8420 38.9219 177.5994 41 T 3.9155 8.1693 115.4467 66.7928 68.3373 175.9603 42 N 4.3065 8.2259 118.6554 56.7806 38.4291 176.9972 43 I 3.7829 7.7946 120.9654 64.7910 37.2080 177.9308 44 C 4.4138 8.8168 117.7205 59.7141 41.1658 175.8399 45 F 4.0734 8.7649 122.8488 61.2793 38.7498 177.1087 46 K 3.8709 7.5503 115.9758 59.7778 32.0193 179.1469 47 K 4.1514 7.5685 115.9488 58.6267 32.1112 177.8871 48 C 4.8681 8.2987 115.3580 56.1806 41.5008 173.7451 49 V 3.9098 7.1265 120.0456 60.9769 30.4200 174.7874 50 E 4.0806 8.5093 129.4329 58.3867 29.9342 176.5920 51 S 4.5478 7.5131 110.1390 56.8855 65.7911 173.8829 52 V 4.2356 8.1608 121.2285 61.3130 31.1928 174.4113 53 N 4.9326 8.5514 122.3457 52.6450 40.5558 173.8875 54 D 4.8084 7.6071 115.7448 51.8120 42.6266 174.8706 55 S 4.4051 8.5467 111.9987 58.9807 62.7650 173.3034 56 N 4.8900 7.7712 116.3449 52.4007 40.0776 174.0231 57 L 4.6254 8.1587 120.8080 53.6352 43.0807 177.8588 58 S 4.4793 9.6867 120.0266 57.5928 65.2571 175.7548 59 S 4.0504 8.4398 117.1463 61.6039 62.7278 175.8329 60 Q 3.9204 8.1896 123.4316 59.0461 28.5800 178.4209 61 E 4.1438 7.9825 117.2206 58.3488 29.3409 178.2027 62 E 3.9879 8.0486 121.0923 58.9463 29.6615 178.1371 63 Q 3.9950 8.1317 119.8328 58.8806 29.1755 176.8364 64 C 4.1509 7.9674 119.2654 59.7438 39.7564 175.3555 65 L 3.9342 7.6868 122.0969 58.1292 41.6743 179.0493 66 S 4.1831 7.7956 113.1427 61.0827 63.3483 175.8438 67 N 4.2008 8.2402 120.3768 56.3221 38.3265 176.0273 68 C 4.0969 8.5296 119.8864 59.9945 43.6964 175.8104 69 V 3.2477 7.4152 119.4098 66.0078 30.9466 177.7583 70 N 4.2368 8.0107 115.9126 56.3826 38.4812 177.2263 71 R 3.8389 8.4648 120.4079 59.5177 30.0865 178.2391 72 F 3.6916 8.3936 120.3046 61.1571 39.5254 177.1101 73 L 4.0823 7.9953 118.6038 57.8607 41.4095 179.0187 74 D 4.3716 8.3074 119.0649 57.7807 40.7096 179.0498 75 T 3.7565 7.8247 115.8140 66.7328 68.3689 175.9825 76 N 4.2740 8.0165 118.1716 56.6706 38.6519 177.4382 77 I 3.6805 7.6232 120.3798 64.3657 37.1743 178.3001 78 R 3.8747 8.0282 119.4848 59.6101 29.8594 178.5685 79 I 3.6897 8.0472 119.9152 64.3368 37.1400 178.8960 80 V 3.6408 8.0671 120.2927 64.7778 31.2323 177.9379 81 N 4.3623 8.6564 117.9297 56.1826 38.4249 177.5529 82 G 3.7347 8.2701 106.8248 47.8841 0.0000 175.5020 83 L 4.1304 7.7927 120.1510 57.2472 41.6827 179.0358 84 Q 4.1940 7.6208 117.0642 58.7448 29.0172 177.7153 85 N 4.4779 8.4472 116.7418 55.5994 38.5960 175.2802 86 T 4.1952 7.5768 120.4841 63.5615 69.0052 173.7453 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 29 S 8.18 4.47 0.00 4.02 4.12 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 30 K 8.35 3.69 0.00 2.01 1.98 0.00 1.56 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.55 7.81 31 Q 8.69 4.30 0.00 2.28 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.00 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 32 K 7.87 4.22 0.00 1.82 1.88 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.48 7.81 33 V 7.27 3.70 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 0.81 0.00 0.00 0.94 0.00 0.00 34 Q 8.17 3.82 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.69 0.00 0.00 0.00 0.00 0.00 2.57 2.37 0.00 35 M 7.61 3.74 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.61 0.00 36 S 7.43 3.69 0.00 3.90 3.61 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 37 I 7.47 3.82 1.97 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.86 0.94 0.00 0.00 38 H 8.27 4.21 0.00 3.28 3.25 0.00 5.62 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 7.75 3.83 0.00 1.94 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.80 0.00 0.00 0.00 0.00 0.00 1.97 2.22 0.00 40 F 8.30 4.23 0.00 3.03 2.87 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 41 T 8.17 3.92 4.43 0.00 0.00 0.00 0.00 0.00 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 42 N 8.23 4.31 0.00 2.89 2.98 0.00 0.00 7.30 7.38 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 43 I 7.79 3.78 1.81 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.00 0.97 0.00 0.00 44 C 8.82 4.41 0.00 3.06 3.18 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 0.00 0.00 0.00 45 F 8.76 4.07 0.00 3.18 3.11 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 0.00 46 K 7.55 3.87 0.00 2.13 1.91 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.59 1.81 7.81 47 K 7.57 4.15 0.00 1.78 1.88 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.65 7.81 48 C 8.30 4.87 0.00 2.95 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 49 V 7.13 3.91 1.16 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 0.49 0.00 0.00 0.57 0.00 0.00 50 E 8.51 4.08 0.00 1.92 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 2.25 2.21 0.00 51 S 7.51 4.55 0.00 3.95 3.74 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 0.00 0.00 0.00 52 V 8.16 4.24 2.11 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 0.96 0.00 0.00 1.00 0.00 0.00 53 N 8.55 4.93 0.00 2.69 2.81 0.00 0.00 6.93 8.06 0.00 0.00 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 D 7.61 4.81 0.00 2.72 2.61 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 55 S 8.55 4.41 0.00 3.86 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.77 4.89 0.00 2.94 2.73 0.00 0.00 6.94 7.85 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 57 L 8.16 4.63 0.00 1.65 1.61 0.96 0.96 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 58 S 9.69 4.48 0.00 4.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.44 4.05 0.00 4.07 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 60 Q 8.19 3.92 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.98 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 61 E 7.98 4.14 0.00 2.25 2.15 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 2.53 2.30 0.00 62 E 8.05 3.99 0.00 2.33 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 63 Q 8.13 4.00 0.00 2.31 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.54 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 64 C 7.97 4.15 0.00 3.11 3.22 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 65 L 7.69 3.93 0.00 2.04 1.73 0.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 66 S 7.80 4.18 0.00 4.11 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 N 8.24 4.20 0.00 2.97 2.93 0.00 0.00 6.63 7.36 0.00 0.00 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 C 8.53 4.10 0.00 3.10 3.33 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 69 V 7.42 3.25 1.95 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 0.55 0.00 0.00 0.91 0.00 0.00 70 N 8.01 4.24 0.00 3.00 2.82 0.00 0.00 6.68 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.46 3.84 0.00 2.11 1.96 0.00 3.13 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 72 F 8.39 3.69 0.00 3.32 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 73 L 8.00 4.08 0.00 1.87 1.70 0.81 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.31 4.37 0.00 2.82 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 75 T 7.82 3.76 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 1.00 0.00 0.00 76 N 8.02 4.27 0.00 3.00 2.96 0.00 0.00 7.12 6.69 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 77 I 7.62 3.68 1.87 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 0.83 0.92 0.00 0.00 78 R 8.03 3.87 0.00 2.06 2.01 0.00 3.13 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 79 I 8.05 3.69 2.07 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.57 0.91 0.00 0.00 80 V 8.07 3.64 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.94 0.00 0.00 81 N 8.66 4.36 0.00 2.79 2.91 0.00 0.00 6.92 7.49 0.00 0.00 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 G 8.27 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 7.79 4.13 0.00 1.81 1.74 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 84 Q 7.62 4.19 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.98 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 85 N 8.45 4.48 0.00 2.66 2.88 0.00 0.00 6.90 7.08 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 86 T 7.58 4.20 4.36 0.00 0.00 0.00 0.00 0.00 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