NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 A 4.2405 8.2649 123.5804 50.9830 20.2072 176.3154 6 D 4.2368 8.1099 115.4698 54.6133 38.4295 172.5195 7 T 4.2762 7.6418 108.7283 59.8884 70.9986 172.0770 8 P 4.4258 0.0000 0.0000 63.1770 31.7473 175.5321 9 T 4.5123 8.0445 108.5703 59.4427 71.0504 173.6207 10 A 4.1782 8.4467 127.8991 52.1843 19.1165 177.4511 11 C 4.9192 8.4899 119.3330 55.0926 43.9517 174.0234 12 C 4.8263 8.2711 119.4686 55.4219 41.3866 173.8981 13 F 4.4617 8.6358 121.6960 57.0753 40.3979 174.8120 14 S 4.5128 7.4996 113.4389 56.7076 66.1022 172.4965 15 Y 5.2624 8.0261 117.1073 55.9374 41.5176 175.7534 16 T 4.1293 8.7683 113.8067 62.2520 69.3005 174.4697 17 S 4.5272 8.6907 118.5234 60.0178 64.1451 174.8121 18 R 4.1066 7.8020 120.0264 54.8763 30.5830 175.8202 19 Q 2.6228 8.0740 124.4579 55.2313 29.3793 175.6169 20 I 3.7898 7.4170 126.6347 60.1552 38.0809 174.1651 21 P 3.9682 0.0000 0.0000 62.7789 31.7594 177.2579 22 Q 3.3674 8.4820 123.9790 58.7370 29.1085 177.4557 23 N 4.4719 7.8381 113.4686 54.7206 37.6118 175.6248 24 F 4.5607 8.1253 118.3300 59.5830 39.4452 175.4191 25 I 4.3117 7.6925 122.0921 61.0752 36.9316 175.3861 26 A 4.5311 8.9726 128.3092 53.8933 19.9258 176.4811 27 A 4.6564 7.7047 114.7988 51.5916 22.6693 174.7672 28 Y 5.3189 7.9422 116.0733 55.5814 41.5711 174.7244 29 F 4.5074 9.0192 118.2665 55.8021 43.8055 173.5866 30 E 4.9015 8.7877 122.2282 55.7226 30.2703 176.7110 31 T 4.1441 8.6725 115.2599 61.0957 70.0877 174.3966 32 S 4.1618 8.6689 117.3032 58.4792 62.8358 175.4835 33 S 4.2146 8.6928 121.0352 61.2564 62.6734 175.5851 34 Q 4.1387 7.9605 119.1724 58.0343 28.8039 175.9836 35 C 4.4654 7.6973 115.1862 56.7202 40.6867 174.1519 36 S 4.1013 8.4457 116.3744 60.1624 63.1538 174.5781 37 K 4.6668 7.3345 118.4412 53.4096 35.0502 174.0592 38 P 4.4754 0.0000 0.0000 62.9458 32.1406 176.0822 39 G 4.1327 7.8340 102.9842 45.6333 0.0000 172.3604 40 V 4.7851 8.2527 123.8765 60.8203 34.4092 174.1226 41 I 4.8472 8.9536 128.8470 59.8393 39.2831 174.5634 42 F 5.4118 8.8557 126.3186 56.2484 41.1910 174.5048 43 L 5.3778 9.1284 125.8446 53.8322 43.9307 176.1550 44 T 4.9041 9.0128 117.3207 60.5999 70.4324 176.0999 45 K 4.1706 8.6868 121.6671 59.2996 32.0871 178.2354 46 R 4.2580 7.9023 116.5481 56.0269 29.8612 175.9728 47 S 4.1092 8.4708 110.9140 59.6593 60.6425 170.0210 48 R 4.3581 8.1048 119.8858 56.0848 31.1381 175.5644 49 Q 5.1254 8.6995 122.4489 54.6392 30.7772 175.3859 50 V 4.5056 8.7479 123.0400 61.2580 35.0730 173.7381 51 C 5.0960 9.1483 125.9543 57.1509 42.5518 172.6105 52 A 5.1471 9.2837 124.9918 49.9449 22.7835 174.7204 53 D 3.6050 7.9751 120.2420 52.5229 41.2609 175.4455 54 P 4.1800 0.0000 0.0000 64.0843 31.4124 177.3475 55 S 4.2018 8.2738 112.9289 59.1220 63.7400 174.4005 56 E 4.1235 7.7794 123.8195 55.1537 30.6168 175.7239 57 E 3.8325 8.9140 127.6035 59.4968 29.6535 178.9865 58 W 4.1651 8.2238 115.8602 59.5619 28.0315 178.2299 59 V 2.7867 6.3332 118.3417 65.5988 30.9601 177.9286 60 Q 3.8891 7.7052 117.7118 58.7589 28.4023 178.9585 61 K 4.0936 8.0866 119.6919 59.4497 32.0816 179.0211 62 Y 4.2248 8.3155 117.2509 60.9054 37.6808 178.6182 63 V 3.0642 7.7515 119.0966 65.8582 31.5074 177.7880 64 S 4.0318 7.8838 112.6516 61.7295 62.0101 175.7556 65 D 4.3633 8.2173 120.2504 57.4255 40.8945 178.6876 66 L 4.1535 8.1154 119.2986 58.0720 41.5121 179.4512 67 E 4.0740 8.1658 117.1132 59.3768 29.5802 178.8878 68 L 4.2863 8.0126 116.3138 55.8286 41.9839 177.7770 69 S 4.4398 7.6796 120.1081 58.7696 62.9701 173.6256 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 5 A 8.26 4.24 1.29 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 6 D 8.11 4.24 0.00 2.88 2.74 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 7 T 7.64 4.28 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 1.19 0.00 0.00 8 P 0.00 4.43 0.00 2.19 2.10 0.00 3.68 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 9 T 8.04 4.51 4.21 0.00 0.00 0.00 0.00 0.00 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 10 A 8.45 4.18 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.49 4.92 0.00 2.75 2.36 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 0.00 12 C 8.27 4.83 0.00 2.84 2.80 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 0.00 0.00 0.00 13 F 8.64 4.46 0.00 2.92 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 7.50 4.51 0.00 3.88 3.76 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 15 Y 8.03 5.26 0.00 3.01 2.80 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 0.00 0.00 0.00 16 T 8.77 4.13 4.63 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 0.00 0.00 0.00 1.35 0.00 0.00 17 S 8.69 4.53 0.00 4.05 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 0.00 18 R 7.80 4.11 0.00 1.81 1.84 0.00 3.23 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 19 Q 8.07 2.62 0.00 0.93 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.93 0.00 0.00 0.00 0.00 0.00 1.71 1.16 0.00 20 I 7.42 3.79 2.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.84 1.04 0.00 0.00 21 P 0.00 3.97 0.00 0.49 1.36 0.00 3.20 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.68 0.00 22 Q 8.48 3.37 0.00 1.41 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.93 0.00 0.00 0.00 0.00 0.00 1.91 1.16 0.00 23 N 7.84 4.47 0.00 2.94 2.92 0.00 0.00 6.04 7.43 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 24 F 8.13 4.56 0.00 3.18 3.08 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 0.00 0.00 0.00 0.00 25 I 7.69 4.31 1.83 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.47 1.05 0.00 0.00 26 A 8.97 4.53 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.70 4.66 1.09 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 0.00 0.00 28 Y 7.94 5.32 0.00 2.73 3.06 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 0.00 0.00 0.00 0.00 29 F 9.02 4.51 0.00 2.84 2.83 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 30 E 8.79 4.90 0.00 1.90 1.91 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 2.36 2.56 0.00 31 T 8.67 4.14 4.31 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 1.23 0.00 0.00 32 S 8.67 4.16 0.00 3.85 3.76 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 33 S 8.69 4.21 0.00 4.01 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 34 Q 7.96 4.14 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.95 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 35 C 7.70 4.47 0.00 2.96 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 36 S 8.45 4.10 0.00 4.04 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 37 K 7.33 4.67 0.00 1.74 1.74 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.29 7.81 38 P 0.00 4.48 0.00 2.02 1.96 0.00 3.80 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 39 G 7.83 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.25 4.79 1.63 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 0.08 0.00 0.00 0.74 0.00 0.00 41 I 8.95 4.85 2.01 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 1.27 0.54 1.04 0.00 0.00 42 F 8.86 5.41 0.00 3.23 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 43 L 9.13 5.38 0.00 2.09 1.74 1.05 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 44 T 9.01 4.90 4.40 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 1.39 0.00 0.00 45 K 8.69 4.17 0.00 1.75 1.91 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.50 1.53 7.81 46 R 7.90 4.26 0.00 1.68 1.89 0.00 3.33 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 47 S 8.47 4.11 0.00 4.06 4.05 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 48 R 8.10 4.36 0.00 1.85 1.93 0.00 3.16 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 49 Q 8.70 5.13 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 50 V 8.75 4.51 2.37 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 1.22 0.00 0.00 1.10 0.00 0.00 51 C 9.15 5.10 0.00 3.05 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 52 A 9.28 5.15 1.12 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 0.00 0.00 53 D 7.98 3.60 0.00 1.58 2.07 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 54 P 0.00 4.18 0.00 1.93 1.92 0.00 3.45 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.89 0.00 55 S 8.27 4.20 0.00 3.86 3.88 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 56 E 7.78 4.12 0.00 1.95 1.20 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 0.00 2.62 2.37 0.00 57 E 8.91 3.83 0.00 2.11 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 0.00 2.42 2.52 0.00 58 W 8.22 4.17 0.00 3.29 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 59 V 6.33 2.79 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 -0.58 0.00 0.00 60 Q 7.71 3.89 0.00 2.21 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.60 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 61 K 8.09 4.09 0.00 1.88 1.98 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.66 1.70 7.81 62 Y 8.32 4.22 0.00 3.03 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 63 V 7.75 3.06 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 0.46 0.00 0.00 0.43 0.00 0.00 64 S 7.88 4.03 0.00 3.98 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 65 D 8.22 4.36 0.00 2.82 2.69 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 66 L 8.12 4.15 0.00 2.02 1.86 1.20 0.91 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 67 E 8.17 4.07 0.00 1.96 2.06 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 0.00 2.64 2.59 0.00 68 L 8.01 4.29 0.00 1.68 1.71 0.92 1.20 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 69 S 7.68 4.44 0.00 4.05 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00