NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 3.9497 8.3549 109.7392 46.1450 0.0000 174.4580 5 H 4.5642 8.8436 123.4114 53.5920 28.5291 174.7877 6 S 4.1433 8.3148 117.3418 61.0277 63.3972 175.0832 7 L 4.3889 7.6370 122.2948 56.9256 42.7705 177.7196 8 Q 3.8706 7.8693 118.8660 59.3000 28.8975 177.8371 9 D 4.3260 8.1856 119.6221 57.2092 40.9113 177.2339 10 P 4.1343 0.0000 0.0000 65.3921 31.3508 178.1045 11 Y 3.9272 8.0756 118.5945 60.7473 38.7650 178.1039 12 L 3.8527 8.2581 120.1886 57.7457 41.5357 179.1657 13 N 4.5358 8.8073 117.0004 56.9222 38.5696 177.5942 14 T 3.8498 8.2206 117.2180 66.6099 68.5314 176.7956 15 L 3.8987 7.7478 120.9283 57.5956 41.5626 179.6203 16 R 4.4398 8.0715 119.9612 58.9256 29.9348 178.4210 17 K 3.8169 8.0639 117.2089 59.8542 32.1227 177.9777 18 E 4.3104 8.1550 114.7296 55.6074 29.2963 176.8216 19 R 3.7189 7.5054 116.6497 57.0561 28.3309 176.6863 20 V 3.9021 7.5811 116.6060 61.8585 32.6430 174.1665 21 P 4.6168 0.0000 0.0000 62.8345 32.3638 175.7551 22 V 4.9179 9.0851 117.6271 59.6075 36.2490 174.5775 23 S 4.9773 9.0633 118.9424 56.9269 65.3948 173.2149 24 I 4.7889 8.7351 126.3716 59.8303 39.3757 174.1792 25 Y 4.9554 8.7681 125.7040 56.6962 39.6525 175.7229 26 L 4.8438 9.1896 124.6747 53.7395 43.2289 178.5940 27 V 3.6931 8.7563 115.0019 64.1128 31.5320 177.2330 28 N 4.5993 8.1563 114.9568 52.7204 37.5856 175.7146 29 G 4.0248 8.3978 107.6660 45.2191 0.0000 173.5799 30 I 4.2935 8.0325 121.1501 60.2128 38.9493 174.5777 31 K 4.6930 8.5798 126.9674 54.6869 33.8125 175.0906 32 L 4.8119 8.9146 127.4085 53.2373 44.4617 175.5163 33 Q 4.8521 9.4022 119.5941 53.4476 32.6295 176.6719 34 G 3.8940 7.0217 107.9247 46.1973 0.0000 170.7203 35 Q 4.8964 7.9750 119.4748 53.8861 33.0079 175.5245 36 I 4.3407 8.2975 123.5539 61.4982 37.2830 176.0051 37 E 4.1448 9.1343 130.2235 58.5206 30.3784 176.0726 38 S 4.7553 7.8742 111.4089 58.2891 65.7434 174.9209 39 F 5.3180 8.0575 117.2543 56.0567 40.4015 173.1061 40 D 4.5338 9.0699 119.8173 52.4797 41.2483 175.3356 41 Q 3.8933 8.9515 117.9655 58.9891 29.0986 178.3216 42 F 4.9842 8.9542 114.6799 57.2815 41.4633 174.8118 43 V 5.0594 7.7288 109.4034 59.7449 36.5747 174.2512 44 I 5.0524 8.5696 121.6157 59.5814 41.2061 174.8330 45 L 4.7519 9.4987 129.6386 53.7687 43.3984 175.1579 46 L 4.7709 8.7572 130.7465 53.8470 43.3299 175.1587 47 K 4.6192 9.0788 129.8937 55.4080 33.1303 173.9581 48 N 4.7891 8.1271 129.0608 52.6623 40.5625 173.3956 49 T 3.9691 8.0989 109.7732 64.8012 67.4917 174.7196 50 V 4.4016 7.4897 120.1883 59.5444 33.4710 175.1915 51 S 5.0396 8.4124 117.9820 58.5567 64.3689 173.0249 52 Q 4.6215 8.7605 117.3056 55.4855 32.1631 172.6321 53 M 4.7423 8.5709 121.1234 54.2097 33.7461 174.9427 54 V 4.3805 8.5256 127.1356 61.1061 34.0323 174.5663 55 Y 4.5311 8.6358 126.1436 57.6051 38.6519 176.9463 56 K 3.9975 9.3828 125.0050 59.4983 32.3733 179.2129 57 A 4.0052 8.2601 119.9932 54.4047 18.5469 177.6012 58 A 4.4885 8.1142 117.7114 52.2728 19.4755 176.7154 59 I 4.5123 7.6259 117.7810 60.4663 38.3058 175.3410 60 S 4.6615 9.0691 120.9744 60.0728 62.6906 173.9372 61 T 4.8081 7.7328 108.5208 59.9576 72.5478 171.7263 62 V 4.6982 8.4445 122.7428 61.2615 33.8456 174.9750 63 V 4.4405 9.0481 127.9574 60.3601 32.3557 172.9155 64 P 4.7848 0.0000 0.0000 62.4168 32.0005 177.9773 65 S 4.5218 9.0032 118.3155 60.6251 63.4713 174.3057 66 R 4.7181 7.4001 113.3933 53.2375 32.4351 173.0141 67 P 4.3078 0.0000 0.0000 62.9539 31.8207 176.1482 68 V 4.3923 8.2629 121.5700 60.7503 34.0334 174.5952 69 R 4.6860 8.4358 122.8665 54.1170 31.4556 175.4960 70 L 4.5521 8.1913 120.6563 53.5524 42.7799 174.2012 71 P 4.4193 0.0000 0.0000 62.6885 31.2133 176.2592 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 4 G 8.35 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 5 H 8.84 4.56 0.00 3.28 3.44 0.00 5.67 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.31 4.14 0.00 4.03 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 7 L 7.64 4.39 0.00 1.73 1.61 0.92 0.50 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 7.87 3.87 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.68 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 9 D 8.19 4.33 0.00 3.03 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 10 P 0.00 4.13 0.00 2.21 2.13 0.00 3.77 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 2.18 0.00 11 Y 8.08 3.93 0.00 3.19 3.03 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 12 L 8.26 3.85 0.00 1.02 0.86 0.27 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.81 4.54 0.00 3.06 2.95 0.00 0.00 7.06 6.66 0.00 0.00 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 8.22 3.85 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 15 L 7.75 3.90 0.00 1.81 1.64 0.34 0.69 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 16 R 8.07 4.44 0.00 2.09 2.20 0.00 3.26 0.00 0.00 3.36 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 17 K 8.06 3.82 0.00 1.82 1.87 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.57 7.81 18 E 8.16 4.31 0.00 2.03 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 2.31 2.25 0.00 19 R 7.51 3.72 0.00 1.92 1.95 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 1.58 1.70 0.00 20 V 7.58 3.90 2.02 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 0.69 0.00 0.00 0.97 0.00 0.00 21 P 0.00 4.62 0.00 2.10 1.95 0.00 3.57 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 22 V 9.09 4.92 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 0.83 0.00 0.00 1.00 0.00 0.00 23 S 9.06 4.98 0.00 3.67 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 8.74 4.79 1.81 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 0.72 0.92 0.00 0.00 25 Y 8.77 4.96 0.00 2.99 2.89 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 26 L 9.19 4.84 0.00 1.75 1.69 0.95 0.79 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 27 V 8.76 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 0.74 0.00 0.00 0.96 0.00 0.00 28 N 8.16 4.60 0.00 2.82 2.94 0.00 0.00 6.32 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 8.40 4.02 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 0.00 0.00 0.00 30 I 8.03 4.29 1.95 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 1.14 0.83 0.92 0.00 0.00 31 K 8.58 4.69 0.00 1.67 1.59 0.00 1.50 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.93 0.21 7.81 32 L 8.91 4.81 0.00 1.50 1.49 0.98 0.68 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 33 Q 9.40 4.85 0.00 1.83 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.13 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 34 G 7.02 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 7.98 4.90 0.00 1.96 1.95 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 2.24 2.28 0.00 36 I 8.30 4.34 1.89 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.15 1.03 0.00 0.00 37 E 9.13 4.14 0.00 1.96 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 2.29 2.25 0.00 38 S 7.87 4.76 0.00 3.85 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 8.06 5.32 0.00 3.26 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 40 D 9.07 4.53 0.00 2.84 2.75 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 41 Q 8.95 3.89 0.00 1.80 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.89 0.00 0.00 0.00 0.00 0.00 1.17 2.05 0.00 42 F 8.95 4.98 0.00 3.17 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 43 V 7.73 5.06 1.92 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 0.24 0.00 0.00 0.93 0.00 0.00 44 I 8.57 5.05 1.89 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.89 1.01 0.00 0.00 45 L 9.50 4.75 0.00 1.67 1.57 0.94 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.76 4.77 0.00 1.80 1.53 0.89 0.31 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 47 K 9.08 4.62 0.00 1.84 1.79 0.00 1.87 0.00 0.00 1.60 0.00 0.00 2.76 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.37 7.81 48 N 8.13 4.79 0.00 2.82 2.54 0.00 0.00 7.17 7.58 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 49 T 8.10 3.97 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 1.20 0.00 0.00 50 V 7.49 4.40 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 0.93 0.00 0.00 51 S 8.41 5.04 0.00 3.89 3.90 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 52 Q 8.76 4.62 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.30 0.00 53 M 8.57 4.74 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.23 0.00 54 V 8.53 4.38 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 0.95 0.00 0.00 0.93 0.00 0.00 55 Y 8.64 4.53 0.00 3.12 2.95 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 0.00 0.00 0.00 56 K 9.38 4.00 0.00 1.97 1.91 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.48 1.55 7.81 57 A 8.26 4.01 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.11 4.49 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.63 4.51 2.03 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 1.22 0.84 0.97 0.00 0.00 60 S 9.07 4.66 0.00 3.87 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 61 T 7.73 4.81 4.29 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 1.19 0.00 0.00 62 V 8.44 4.70 2.19 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 0.89 0.00 0.00 0.97 0.00 0.00 63 V 9.05 4.44 2.40 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 0.90 0.00 0.00 1.18 0.00 0.00 64 P 0.00 4.78 0.00 2.29 1.91 0.00 3.76 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.10 0.00 65 S 9.00 4.52 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 7.40 4.72 0.00 1.84 1.87 0.00 3.07 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 67 P 0.00 4.31 0.00 2.06 2.05 0.00 3.61 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 68 V 8.26 4.39 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 0.65 0.00 0.00 0.80 0.00 0.00 69 R 8.44 4.69 0.00 1.91 1.88 0.00 3.09 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 70 L 8.19 4.55 0.00 1.74 1.66 1.12 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.42 0.00 2.07 2.02 0.00 3.72 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 2.03 2.09 0.00