NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 H 4.8325 8.2876 116.3415 55.2485 29.3691 175.6308 6 S 3.9782 8.9764 115.4945 59.2961 63.3617 172.8342 7 L 4.4213 7.6396 122.6514 56.6451 43.4986 178.8405 8 Q 3.8905 7.8542 118.8413 59.3678 28.9463 178.0434 9 D 4.4506 8.1822 119.5877 57.1778 40.9880 177.1729 10 P 4.4116 0.0000 0.0000 65.3202 31.3994 178.2256 11 Y 3.9234 8.0123 118.6816 60.7681 38.7444 177.7704 12 L 3.7585 8.1151 120.1591 57.7602 41.4701 179.2811 13 N 4.5670 8.5719 116.8406 56.6470 38.3749 177.6581 14 T 3.8308 7.8985 117.0882 66.5980 68.5615 176.6482 15 L 3.8358 7.4998 120.6159 57.7260 41.5775 179.7045 16 R 4.1033 8.1349 120.0018 59.0613 29.9323 178.7967 17 K 4.0406 8.1897 117.2023 59.1129 32.1532 178.3478 18 E 4.2817 8.3497 116.0701 55.2476 30.1272 176.2577 19 R 3.7278 7.5192 116.8394 57.0075 28.3766 176.6194 20 V 3.9081 7.5807 117.1435 61.6270 32.4548 174.2534 21 P 4.5309 0.0000 0.0000 63.2570 32.4802 175.7615 22 V 4.9173 8.9842 117.1016 59.6542 35.9751 174.4777 23 S 5.1029 9.0160 118.6938 56.9088 65.6002 173.2997 24 I 4.8153 8.6191 125.4589 59.8041 39.7546 174.0571 25 Y 4.9265 8.9306 125.5814 56.7550 39.6875 175.8231 26 L 4.9001 8.8646 124.5246 53.5955 43.4469 178.4734 27 V 3.7493 9.0774 113.7673 63.6222 31.4631 177.5037 28 N 4.5179 8.1080 115.1322 53.2890 37.6992 175.8797 29 G 4.0872 8.3499 108.4072 45.2434 0.0000 174.2533 30 I 3.8041 8.2407 121.6809 61.2172 37.6434 174.5219 31 K 4.4615 8.4522 125.6851 54.8153 33.3650 175.2773 32 L 4.7745 8.7586 127.7340 53.4227 44.3174 175.6071 33 Q 4.8471 8.7679 119.2533 53.8634 32.9994 175.7563 34 G 3.8881 7.2457 107.4830 46.2001 0.0000 170.6806 35 Q 4.9399 7.4252 117.5344 53.8857 31.7123 175.4909 36 I 4.2347 8.2550 124.0746 61.6218 37.5900 176.0497 37 E 4.2915 9.1326 129.7314 58.2921 30.5763 175.9363 38 S 4.6520 7.7982 111.5593 58.1033 65.4122 173.2318 39 F 5.2327 7.6297 113.7871 56.2173 40.1143 173.4930 40 D 4.6230 8.5384 121.4363 52.4114 41.1035 175.0789 41 Q 3.8867 8.7724 117.6440 58.7570 29.3510 177.8201 42 F 5.0613 8.8997 115.8727 57.7767 42.2271 175.9114 43 V 5.0071 8.1122 109.6148 59.5006 36.4851 174.5949 44 I 5.0393 8.5345 122.2091 59.6524 40.6875 174.6597 45 L 4.9388 8.9625 127.1723 53.3709 43.4257 175.1567 46 L 4.9789 8.9520 126.9820 53.1177 44.7436 174.6834 47 K 4.5367 9.0375 128.6066 56.7344 33.8664 173.6714 48 N 5.1975 9.0895 122.9996 54.2016 41.6776 175.9713 49 T 4.0195 9.3536 114.2618 64.5256 70.2868 175.4820 50 V 4.4408 7.4131 113.2047 58.9603 35.3607 173.8746 51 S 5.0588 8.5136 116.5260 57.4961 62.8590 173.1294 52 Q 4.6575 8.9862 126.1572 54.9120 31.1753 174.0420 53 M 4.8099 8.5046 121.0567 54.0797 33.9316 174.8759 54 V 4.4553 8.6594 126.6852 61.2126 34.3490 174.2560 55 Y 4.6286 8.7026 125.7547 57.3230 38.7931 176.8531 56 K 4.1064 9.2606 125.1645 59.5110 32.4180 179.4475 57 T 3.8400 8.2552 107.8406 64.0127 68.7667 174.4467 58 A 4.5118 8.2161 123.5961 51.9829 19.5939 176.2832 59 I 4.5290 7.6394 117.8794 60.5921 37.9110 175.8136 60 S 4.5167 9.1929 122.4081 60.7201 63.5469 173.8100 61 T 4.6701 7.7527 112.9089 60.5085 71.2178 171.6775 62 V 4.7709 8.4634 126.3698 61.1522 33.8321 174.8532 63 V 4.4380 9.2429 128.2164 60.3868 33.3677 172.9294 64 P 4.8432 0.0000 0.0000 62.4268 32.0914 177.8506 65 S 4.1975 9.0237 118.2185 60.4170 63.4039 174.2056 66 R 4.6311 7.5315 115.3181 53.8498 32.1900 172.9626 67 P 4.2484 0.0000 0.0000 63.4974 31.7277 176.3775 68 V 4.4756 8.2348 115.3168 59.2410 35.0787 174.9633 69 R 4.6434 8.5338 119.8964 54.1038 31.5526 175.6948 70 L 4.2918 8.5231 120.8838 55.7675 40.6659 176.0803 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 H 8.29 4.83 0.00 3.34 3.07 0.00 5.43 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.98 3.98 0.00 4.11 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 0.00 7 L 7.64 4.42 0.00 1.68 1.56 0.87 0.46 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 8 Q 7.85 3.89 0.00 2.11 2.16 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 2.37 2.40 0.00 9 D 8.18 4.45 0.00 2.95 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 10 P 0.00 4.41 0.00 2.21 2.13 0.00 3.72 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.17 0.00 11 Y 8.01 3.92 0.00 3.17 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.12 3.76 0.00 0.54 0.54 0.39 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.57 4.57 0.00 3.04 2.96 0.00 0.00 7.03 6.63 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 14 T 7.90 3.83 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 1.18 0.00 0.00 15 L 7.50 3.84 0.00 1.72 1.60 0.66 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.13 4.10 0.00 2.06 2.22 0.00 3.32 0.00 0.00 3.46 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 17 K 8.19 4.04 0.00 1.80 1.86 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.21 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.64 7.81 18 E 8.35 4.28 0.00 1.95 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 0.00 2.29 2.41 0.00 19 R 7.52 3.73 0.00 1.91 1.97 0.00 3.15 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 20 V 7.58 3.91 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.87 0.00 0.00 21 P 0.00 4.53 0.00 2.10 1.96 0.00 3.57 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 22 V 8.98 4.92 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 0.92 0.00 0.00 0.99 0.00 0.00 23 S 9.02 5.10 0.00 3.72 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.62 4.82 1.83 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 1.23 0.62 0.93 0.00 0.00 25 Y 8.93 4.93 0.00 2.98 2.90 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 26 L 8.86 4.90 0.00 1.82 1.71 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 27 V 9.08 3.75 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 0.79 0.00 0.00 0.96 0.00 0.00 28 N 8.11 4.52 0.00 2.85 2.95 0.00 0.00 6.34 7.00 0.00 0.00 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 G 8.35 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 0.00 0.00 0.00 30 I 8.24 3.80 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.98 0.90 0.00 0.00 31 K 8.45 4.46 0.00 1.53 1.57 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.99 0.40 7.81 32 L 8.76 4.77 0.00 1.51 1.49 0.99 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.77 4.85 0.00 1.82 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.04 0.00 0.00 0.00 0.00 0.00 2.15 2.24 0.00 34 G 7.25 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 0.00 0.00 0.00 35 Q 7.43 4.94 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.94 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 36 I 8.25 4.23 1.87 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.86 0.99 0.00 0.00 37 E 9.13 4.29 0.00 1.98 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 2.28 2.26 0.00 38 S 7.80 4.65 0.00 3.91 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 39 F 7.63 5.23 0.00 3.25 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.54 4.62 0.00 2.69 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.77 3.89 0.00 1.70 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.90 0.00 0.00 0.00 0.00 0.00 1.16 1.93 0.00 42 F 8.90 5.06 0.00 3.04 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 43 V 8.11 5.01 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 0.24 0.00 0.00 0.91 0.00 0.00 44 I 8.53 5.04 1.89 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.80 0.93 0.00 0.00 45 L 8.96 4.94 0.00 1.60 1.59 0.91 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.95 4.98 0.00 1.71 1.49 0.93 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 47 K 9.04 4.54 0.00 1.89 1.65 0.00 1.54 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.44 7.81 48 N 9.09 5.20 0.00 2.70 2.45 0.00 0.00 7.07 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 9.35 4.02 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 50 V 7.41 4.44 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 0.90 0.00 0.00 0.93 0.00 0.00 51 S 8.51 5.06 0.00 3.87 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 52 Q 8.99 4.66 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.56 0.00 0.00 0.00 0.00 0.00 2.43 2.28 0.00 53 M 8.50 4.81 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.14 0.00 54 V 8.66 4.46 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 0.96 0.00 0.00 0.94 0.00 0.00 55 Y 8.70 4.63 0.00 3.18 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 56 K 9.26 4.11 0.00 1.92 1.92 0.00 1.88 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.50 1.54 7.81 57 T 8.26 3.84 4.30 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 1.33 0.00 0.00 58 A 8.22 4.51 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.64 4.53 2.01 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.87 0.98 0.00 0.00 60 S 9.19 4.52 0.00 3.99 3.91 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 61 T 7.75 4.67 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 1.31 0.00 0.00 62 V 8.46 4.77 2.21 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 0.92 0.00 0.00 0.97 0.00 0.00 63 V 9.24 4.44 2.28 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 1.07 0.00 0.00 1.12 0.00 0.00 64 P 0.00 4.84 0.00 2.23 1.89 0.00 3.75 0.00 0.00 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.08 0.00 65 S 9.02 4.20 0.00 3.86 4.04 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.53 4.63 0.00 1.81 1.88 0.00 3.08 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 67 P 0.00 4.25 0.00 2.06 2.07 0.00 3.62 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 2.04 2.14 0.00 68 V 8.23 4.48 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 0.71 0.00 0.00 0.73 0.00 0.00 69 R 8.53 4.64 0.00 1.88 1.88 0.00 3.15 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 70 L 8.52 4.29 0.00 1.78 1.69 1.01 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00