NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4930 0.0000 0.0000 62.6501 33.3815 174.8114 2 I 4.9501 8.3151 122.0474 59.0120 40.3175 173.0751 3 A 4.7500 9.2225 129.0150 50.0188 22.2243 174.1150 4 Q 4.9912 8.7633 123.5370 54.2675 31.4337 174.5355 5 I 4.5026 8.8468 127.4672 59.8447 40.1862 174.1175 6 H 5.2732 8.8652 124.9064 54.5145 29.7299 174.6803 7 I 4.6541 8.4324 116.2540 58.6336 41.3173 174.8508 8 L 4.6078 8.3584 123.3795 54.3678 42.1981 176.9522 9 E 4.1326 8.8980 121.4382 57.2984 29.6730 175.6312 10 G 3.5609 9.0602 112.7487 46.1154 0.0000 175.0226 11 R 4.0804 7.6564 118.5002 55.8892 30.9979 176.7577 12 S 4.5667 8.1974 114.7230 57.7256 65.6886 175.1806 13 D 4.4147 8.4786 121.5245 57.2313 40.4734 179.0301 14 E 3.9524 8.0579 119.0122 59.5663 29.5404 179.1056 15 Q 4.0339 7.9265 117.5730 58.8759 28.6243 179.0448 16 K 3.9864 7.9910 119.2180 59.0945 32.0868 179.0564 17 E 3.9083 8.1904 119.7957 59.6172 29.5906 179.0726 18 T 3.8719 8.0122 115.7824 66.3075 68.3915 176.2475 19 L 3.8953 8.0913 122.5937 58.4520 42.2117 179.0905 20 I 3.6672 7.9836 119.8000 64.3686 37.0766 178.5254 21 R 3.8644 8.0432 119.3602 59.5161 30.0108 178.4502 22 E 3.9583 8.7164 118.7574 59.4726 29.4027 179.5988 23 V 3.6479 8.1616 118.6412 65.8096 31.4630 178.3283 24 S 4.0969 7.9982 114.8363 61.6232 62.7330 176.4680 25 E 3.9188 8.1191 120.8422 59.3129 29.2333 179.1359 26 A 3.9990 8.0005 120.7348 55.3484 18.3899 179.8102 27 I 3.6452 7.9508 118.2390 64.4421 37.2113 178.4647 28 S 4.1751 8.2187 114.0963 61.5802 61.8457 176.5059 29 R 3.9123 8.4239 120.8312 59.4472 29.6344 179.1794 30 S 4.1993 7.9407 113.4656 61.1097 62.9912 175.9678 31 L 4.4009 7.9122 118.0880 53.1411 43.2360 175.4979 32 D 4.3412 7.5805 116.0809 55.5550 39.6333 172.6985 33 A 4.8231 7.9143 121.2097 49.1164 22.4624 174.8188 34 P 4.2956 0.0000 0.0000 62.5749 31.8157 177.1775 35 L 3.8945 8.8219 124.9752 58.2883 41.9827 178.5859 36 T 4.0841 7.8643 106.7367 63.1505 68.9938 174.9056 37 S 4.4473 8.0171 116.0272 58.4251 63.7781 173.9762 38 V 4.1971 7.3524 122.9292 62.5008 31.9370 175.1895 39 R 4.7418 8.7496 127.1200 54.3722 32.8711 175.2300 40 V 4.8057 8.3383 122.2472 61.1417 34.5738 174.3366 41 I 4.5099 8.9751 128.6664 59.5639 39.8848 174.3759 42 I 4.7533 8.3801 127.6900 59.9612 39.0072 175.0143 43 T 4.4840 8.8926 124.6268 61.7555 70.7075 173.2353 44 E 4.8983 8.7612 126.4677 55.6358 30.9787 175.5739 45 M 4.7048 8.8129 124.0752 53.4116 34.6952 175.5397 46 A 4.4951 8.5113 124.5480 51.6079 19.3344 178.7389 47 K 4.0867 9.3825 121.6617 59.4237 32.2904 178.3966 48 G 3.9471 7.9866 104.9612 46.0818 0.0000 173.4138 49 H 5.0144 8.6952 115.4476 55.0390 29.8504 173.4056 50 F 5.1647 8.2020 122.3654 56.1619 41.8764 173.7997 51 G 4.1715 8.0550 115.4376 43.5052 0.0000 171.8160 52 I 4.1251 8.0422 123.2225 60.0644 39.9058 176.1732 53 G 3.5822 9.7318 112.9316 46.4287 0.0000 174.5924 54 G 3.9309 8.4706 108.7359 44.6779 0.0000 174.0319 55 E 4.6171 7.6146 119.2585 54.2106 31.6008 175.7211 56 L 4.4507 8.1073 121.2878 54.5512 42.5586 178.3964 57 A 4.1086 8.8514 124.1553 55.0785 18.0567 180.5257 58 S 4.1041 8.0571 111.6470 60.9325 63.3117 175.8766 59 K 4.3507 7.6387 120.4079 57.0053 32.2466 177.4079 60 V 4.4645 7.3339 115.2217 60.8884 32.6570 174.8739 61 R 4.6838 8.1788 118.5136 54.5582 34.3840 175.0045 62 R 4.0673 8.4982 118.1913 56.8493 30.0577 176.2064 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 P 0.00 4.49 0.00 2.13 2.24 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 2 I 8.32 4.95 1.87 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 0.79 0.91 0.00 0.00 3 A 9.22 4.75 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 0.00 0.00 0.00 0.00 0.00 4 Q 8.76 4.99 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.64 0.00 0.00 0.00 0.00 0.00 2.14 2.29 0.00 5 I 8.85 4.50 1.83 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 1.21 0.48 0.88 0.00 0.00 6 H 8.87 5.27 0.00 2.92 3.09 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.43 4.65 1.82 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 1.17 1.20 0.86 0.00 0.00 8 L 8.36 4.61 0.00 1.52 1.63 1.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.90 4.13 0.00 1.93 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 0.00 2.31 2.27 0.00 10 G 9.06 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.66 4.08 0.00 1.78 1.87 0.00 3.24 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 12 S 8.20 4.57 0.00 4.29 3.99 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.48 4.41 0.00 2.70 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 14 E 8.06 3.95 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 15 Q 7.93 4.03 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 16 K 7.99 3.99 0.00 1.95 1.83 0.00 1.65 0.00 0.00 1.55 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.69 7.81 17 E 8.19 3.91 0.00 2.29 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 2.30 2.34 0.00 18 T 8.01 3.87 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 1.21 0.00 0.00 19 L 8.09 3.90 0.00 1.84 1.81 0.91 1.15 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 20 I 7.98 3.67 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.08 0.90 0.00 0.00 21 R 8.04 3.86 0.00 2.00 2.05 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 22 E 8.72 3.96 0.00 2.00 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 2.50 2.45 0.00 23 V 8.16 3.65 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.97 0.00 0.00 24 S 8.00 4.10 0.00 4.09 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 25 E 8.12 3.92 0.00 2.01 1.99 0.00 0.00 0.00 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 2.57 0.00 26 A 8.00 4.00 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 27 I 7.95 3.65 2.00 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 1.40 0.66 0.91 0.00 0.00 28 S 8.22 4.18 0.00 3.96 4.01 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 0.00 0.00 0.00 0.00 29 R 8.42 3.91 0.00 1.84 1.96 0.00 3.19 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 30 S 7.94 4.20 0.00 4.03 3.93 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 31 L 7.91 4.40 0.00 1.68 1.69 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 32 D 7.58 4.34 0.00 2.84 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.91 4.82 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 34 P 0.00 4.30 0.00 2.23 2.21 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 35 L 8.82 3.89 0.00 1.74 1.73 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.86 4.08 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 37 S 8.02 4.45 0.00 3.99 4.01 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 0.00 0.00 0.00 0.00 38 V 7.35 4.20 2.18 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 0.76 0.00 0.00 0.93 0.00 0.00 39 R 8.75 4.74 0.00 1.79 1.78 0.00 3.11 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 40 V 8.34 4.81 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 0.80 0.00 0.00 0.92 0.00 0.00 41 I 8.98 4.51 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.50 0.88 0.00 0.00 42 I 8.38 4.75 1.84 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 1.31 0.53 0.87 0.00 0.00 43 T 8.89 4.48 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 1.15 0.00 0.00 44 E 8.76 4.90 0.00 1.83 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 45 M 8.81 4.70 0.00 1.96 1.87 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.47 0.00 46 A 8.51 4.50 1.13 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 47 K 9.38 4.09 0.00 1.86 1.93 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.44 7.81 48 G 7.99 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 49 H 8.70 5.01 0.00 3.24 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.20 5.16 0.00 2.94 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 51 G 8.06 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.04 4.13 1.73 0.00 0.00 0.72 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 -0.14 0.83 0.00 0.00 53 G 9.73 3.58 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 0.00 0.00 0.00 54 G 8.47 3.93 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 0.00 0.00 0.00 55 E 7.61 4.62 0.00 2.13 1.82 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 2.22 2.22 0.00 56 L 8.11 4.45 0.00 1.70 1.59 0.93 0.93 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 57 A 8.85 4.11 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.06 4.10 0.00 4.04 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 0.00 59 K 7.64 4.35 0.00 1.90 1.89 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.43 7.81 60 V 7.33 4.46 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 0.75 0.00 0.00 0.92 0.00 0.00 61 R 8.18 4.68 0.00 1.96 1.86 0.00 3.38 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.78 0.00 62 R 8.50 4.07 0.00 1.78 1.82 0.00 3.27 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00