NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3896 0.0000 0.0000 61.3394 32.6970 176.0470 3 P 4.0583 0.0000 0.0000 62.7344 31.9623 173.9621 4 R 4.5605 9.1321 121.9043 54.0880 32.9436 174.8167 5 P 4.1905 0.0000 0.0000 66.0435 31.4136 178.5002 6 L 3.8667 7.9751 116.7294 57.8878 41.4641 179.2504 7 D 4.4449 8.4120 119.3696 57.1457 40.5302 178.9048 8 V 3.6173 7.6338 117.7665 65.7106 31.9689 177.3864 9 L 3.9441 7.7867 120.3329 57.9217 41.7938 178.4840 10 N 4.5939 8.1084 117.1633 56.6172 38.7704 176.5622 11 R 4.2319 7.8926 116.6134 57.5804 30.4988 177.1237 12 S 4.6822 7.6786 114.1339 57.7388 64.1319 174.1507 13 L 4.3046 7.7725 121.0096 56.3485 41.7997 176.8173 14 K 3.9586 9.2874 119.6457 57.3302 30.5755 175.2694 15 S 4.9829 7.7123 113.4086 55.6263 67.2053 171.7712 16 P 4.9067 0.0000 0.0000 63.2827 32.1666 175.6519 17 V 5.0620 9.0004 116.6505 59.4915 36.5601 174.2485 18 I 4.6974 9.0511 122.3753 59.6528 40.0804 175.0476 19 V 4.6864 9.0804 127.6385 61.0416 33.9642 174.0789 20 R 4.4337 7.8968 129.1778 55.1634 31.1837 175.4558 21 L 5.0655 8.3572 126.1755 52.3584 44.7501 176.3457 22 K 3.8416 8.6052 120.6241 57.5853 32.8769 177.8162 23 G 3.6852 8.8921 111.7330 46.2461 0.0000 175.2131 24 G 3.9358 8.2834 105.8913 45.1669 0.0000 174.6498 25 R 4.3311 7.2548 119.4656 56.3854 31.6121 174.6715 26 E 5.2076 8.7733 123.2067 55.0394 34.1909 173.7304 27 F 5.7398 8.9862 120.4950 55.1747 43.9875 173.9884 28 R 5.0217 8.4911 121.3569 55.0231 33.3960 174.8110 29 G 4.4030 8.3949 110.6717 46.0285 0.0000 171.0684 30 T 4.9457 8.4296 116.9007 61.9362 70.4133 174.6363 31 L 4.3538 8.7881 129.2749 55.4000 42.5331 176.3905 32 D 4.8958 8.7622 125.4592 54.0245 43.6053 175.2233 33 G 4.1186 7.4939 103.9493 46.3943 0.0000 171.3616 34 Y 5.8949 7.7177 116.8269 57.4921 40.2613 172.0403 35 D 4.9923 8.0057 118.6176 51.2629 42.6390 176.2773 36 I 3.8020 8.3725 118.5964 64.9010 36.6859 176.9929 37 H 4.5731 8.3354 115.1695 55.9348 29.0162 174.9246 38 M 2.9356 8.3073 118.9484 56.5607 30.8795 175.4608 39 N 4.9456 8.7619 114.5561 52.7153 40.0637 174.6818 40 L 5.3747 8.8715 122.1341 52.9161 46.2789 175.4996 41 V 4.7804 8.3749 119.2671 61.2442 34.6771 174.2164 42 L 5.2473 8.7766 127.1719 52.9438 45.1977 175.4165 43 L 4.9330 8.8381 122.5467 53.5875 44.2280 175.3142 44 D 4.2676 8.8662 119.5978 55.3642 39.7745 171.2364 45 A 5.2374 8.3470 123.3177 49.9853 23.6767 175.6873 46 E 5.1131 8.9227 115.7046 55.0805 33.3665 174.3435 47 E 3.6827 8.7736 123.8630 55.2130 31.7752 175.0630 48 I 4.9625 8.0262 125.5871 59.6846 41.4786 173.8128 49 Q 4.7871 8.6515 128.7364 54.4625 31.8203 175.1389 50 N 4.2255 9.9156 123.3165 53.9455 36.1023 175.2473 51 G 3.9714 8.6213 105.6104 46.3331 0.0000 173.7370 52 E 4.6906 7.8821 117.5441 53.6804 32.2570 175.8598 53 V 4.0848 8.2204 120.5794 63.5272 32.1063 175.9346 54 V 4.4443 7.9102 116.4288 60.5943 33.8789 175.3173 55 R 4.4145 7.1987 118.8288 55.8113 33.3703 172.8742 56 K 5.0952 8.7325 121.4560 54.7703 35.5213 176.1731 57 V 4.4967 8.7148 117.8621 59.4646 34.9606 177.1121 58 G 3.8696 8.7981 110.4558 49.0400 0.0000 173.4686 59 S 5.4127 7.8404 112.4252 57.3234 66.1048 174.4091 60 V 4.4441 8.5696 120.0990 60.5196 34.8998 172.9876 61 V 4.7394 8.3016 123.4341 61.2289 33.4710 174.4441 62 I 4.4225 8.3622 128.8081 59.1432 39.9511 175.5641 63 R 4.3214 8.6186 126.6531 55.9443 30.8538 177.5332 64 G 4.0025 10.5660 113.5844 47.5353 0.0000 175.2789 65 D 4.3844 8.1108 117.8327 55.4268 39.4601 177.1882 66 T 4.2131 7.7557 116.0419 64.6649 69.1878 175.0791 67 V 4.0678 7.7265 122.0175 62.8895 32.1993 175.1450 68 V 4.3188 8.7465 127.2781 64.3456 32.7128 175.4426 69 F 4.9952 7.1728 112.6357 56.0196 41.0407 172.7273 70 V 5.2091 8.5594 119.1298 61.3121 34.2396 174.6603 71 S 4.8157 9.2060 121.2198 55.8796 66.7097 171.6869 72 P 4.7408 0.0000 0.0000 62.9581 31.9511 176.1135 73 A 4.2673 8.5997 124.1136 52.3088 17.9280 177.3907 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 2 P 0.00 4.39 0.00 2.06 2.07 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.11 0.00 3 P 0.00 4.06 0.00 2.11 2.01 0.00 3.65 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 2.03 2.16 0.00 4 R 9.13 4.56 0.00 1.86 1.84 0.00 3.18 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 5 P 0.00 4.19 0.00 2.13 2.12 0.00 3.60 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 6 L 7.98 3.87 0.00 1.76 1.81 0.91 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.41 4.44 0.00 2.85 2.73 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 8 V 7.63 3.62 2.20 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 0.81 0.00 0.00 0.97 0.00 0.00 9 L 7.79 3.94 0.00 1.73 1.27 0.78 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.11 4.59 0.00 3.14 3.01 0.00 0.00 7.19 6.94 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 11 R 7.89 4.23 0.00 2.02 1.97 0.00 3.18 0.00 0.00 3.43 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 12 S 7.68 4.68 0.00 4.05 3.85 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 13 L 7.77 4.30 0.00 1.74 1.67 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 14 K 9.29 3.96 0.00 1.86 1.89 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.41 7.81 15 S 7.71 4.98 0.00 3.97 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.91 0.00 2.13 2.21 0.00 3.65 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 17 V 9.00 5.06 2.12 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 0.82 0.00 0.00 1.01 0.00 0.00 18 I 9.05 4.70 2.10 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.12 1.00 0.00 0.00 19 V 9.08 4.69 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 0.90 0.00 0.00 0.94 0.00 0.00 20 R 7.90 4.43 0.00 0.92 0.66 0.00 3.10 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.39 0.00 21 L 8.36 5.07 0.00 1.54 1.57 1.11 1.17 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 22 K 8.61 3.84 0.00 1.62 1.75 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.66 1.55 7.81 23 G 8.89 3.69 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 0.00 0.00 0.00 24 G 8.28 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.25 4.33 0.00 1.98 1.80 0.00 3.16 0.00 0.00 3.31 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 26 E 8.77 5.21 0.00 1.96 1.60 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 2.16 2.28 0.00 27 F 8.99 5.74 0.00 3.02 2.84 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 0.00 0.00 0.00 0.00 28 R 8.49 5.02 0.00 1.73 1.83 0.00 3.16 0.00 0.00 3.36 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 29 G 8.39 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 0.00 0.00 0.00 0.00 30 T 8.43 4.95 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 1.20 0.00 0.00 31 L 8.79 4.35 0.00 1.81 1.76 1.07 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.76 4.90 0.00 2.67 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.49 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 0.00 0.00 0.00 34 Y 7.72 5.89 0.00 2.98 2.92 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 35 D 8.01 4.99 0.00 2.83 2.76 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 36 I 8.37 3.80 1.85 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 1.43 0.46 0.98 0.00 0.00 37 H 8.34 4.57 0.00 3.35 3.31 0.00 5.72 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 M 8.31 2.94 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 39 N 8.76 4.95 0.00 2.91 2.72 0.00 0.00 6.84 7.57 0.00 0.00 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 L 8.87 5.37 0.00 1.50 1.52 0.90 0.67 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 41 V 8.37 4.78 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 1.03 0.00 0.00 0.91 0.00 0.00 42 L 8.78 5.25 0.00 1.53 1.50 0.92 0.31 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 43 L 8.84 4.93 0.00 1.57 1.55 0.97 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.87 4.27 0.00 2.75 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 45 A 8.35 5.24 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 46 E 8.92 5.11 0.00 2.07 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 0.00 2.43 2.22 0.00 47 E 8.77 3.68 0.00 1.55 1.58 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 1.95 1.60 0.00 48 I 8.03 4.96 1.74 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.61 0.90 0.00 0.00 49 Q 8.65 4.79 0.00 2.09 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.27 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 50 N 9.92 4.23 0.00 2.97 2.92 0.00 0.00 6.31 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 51 G 8.62 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 0.00 0.00 0.00 52 E 7.88 4.69 0.00 2.10 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 2.39 2.21 0.00 53 V 8.22 4.08 2.05 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 0.83 0.00 0.00 0.90 0.00 0.00 54 V 7.91 4.44 2.04 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 0.73 0.00 0.00 0.88 0.00 0.00 55 R 7.20 4.41 0.00 1.82 1.69 0.00 3.18 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 56 K 8.73 5.10 0.00 1.63 1.67 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.43 7.81 57 V 8.71 4.50 2.29 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 0.91 0.00 0.00 1.11 0.00 0.00 58 G 8.80 3.87 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 0.00 0.00 0.00 59 S 7.84 5.41 0.00 3.82 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.57 4.44 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 0.23 0.00 0.00 0.57 0.00 0.00 61 V 8.30 4.74 2.03 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 0.85 0.00 0.00 0.89 0.00 0.00 62 I 8.36 4.42 1.75 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.19 0.84 0.00 0.00 63 R 8.62 4.32 0.00 1.83 2.06 0.00 3.31 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.57 0.00 64 G 10.57 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 0.00 0.00 0.00 65 D 8.11 4.38 0.00 2.79 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 66 T 7.76 4.21 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 1.22 0.00 0.00 67 V 7.73 4.07 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 0.71 0.00 0.00 0.91 0.00 0.00 68 V 8.75 4.32 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 1.00 0.00 0.00 0.87 0.00 0.00 69 F 7.17 5.00 0.00 3.06 3.10 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 70 V 8.56 5.21 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 0.88 0.00 0.00 0.93 0.00 0.00 71 S 9.21 4.82 0.00 3.91 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 72 P 0.00 4.74 0.00 1.97 2.05 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 73 A 8.60 4.27 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