NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 5.2350 8.2148 119.5296 56.9419 33.4706 173.2012 7 T 4.5363 7.3862 112.9995 60.3552 71.7933 171.4822 8 P 4.2119 0.0000 0.0000 62.7498 32.5592 175.2056 9 P 4.3310 0.0000 0.0000 62.5283 33.2654 176.9172 10 A 3.9581 8.6541 121.4983 56.0075 18.1608 179.3799 11 A 3.9222 8.2319 118.1614 56.0156 18.1689 179.8345 12 V 3.5507 7.6783 115.2221 64.6955 31.4964 178.2868 13 L 3.9582 8.2047 119.8606 57.7941 41.4816 179.6654 14 L 4.1073 8.6108 118.9346 57.4830 41.4411 179.8150 15 K 3.9925 8.2274 118.8559 59.4771 31.8695 179.2862 16 K 3.9957 8.1961 118.5773 59.8464 32.1328 178.0779 17 A 4.0405 8.4280 120.9030 54.2634 18.3575 178.6582 18 A 4.0579 8.5993 119.9866 53.4491 19.2751 178.5259 19 G 3.8775 9.8054 104.2529 45.5558 0.0000 172.0560 20 I 4.6391 7.1686 109.6583 59.7504 40.9707 174.3908 21 E 4.5970 8.5829 117.1857 56.3116 30.4209 175.8342 22 S 4.7577 7.5730 113.5652 57.1385 68.7299 175.6837 23 G 3.8968 8.6620 115.6303 45.7574 0.0000 176.7121 24 S 4.7316 8.4204 117.7819 58.9701 67.0698 176.5023 25 G 4.0448 8.0366 105.9128 48.8588 0.0000 177.1510 26 E 3.3679 7.8824 116.6881 57.9771 30.5479 176.4667 27 P 4.3563 0.0000 0.0000 65.8696 31.2963 177.2596 28 N 4.4283 7.7792 115.6404 54.7662 38.8200 176.4029 29 R 4.4206 7.3777 124.5560 54.1136 29.5733 175.1582 30 N 4.4322 8.2608 119.4065 53.0710 39.1656 175.6793 31 K 4.1522 8.6957 123.8074 56.9025 32.8101 176.9997 32 V 4.2206 6.7646 119.5302 61.9928 32.5370 169.9375 33 A 4.8345 7.9213 123.4029 51.1141 21.5025 175.6033 34 T 4.3839 7.6621 111.4190 59.8620 70.1960 173.3976 35 I 4.0393 8.0635 120.9274 61.0730 38.9948 175.7159 36 K 4.2050 8.8963 127.1021 58.3177 32.3276 178.4796 37 R 3.9520 7.9840 124.3710 58.2047 30.9450 176.9584 38 D 4.6788 7.9033 117.3427 55.9930 42.0232 178.5835 39 K 3.9374 8.6305 118.6085 59.6761 32.4677 179.7493 40 V 3.5923 7.7575 118.4777 65.9925 31.2611 177.9998 41 R 3.8501 7.9157 117.7971 59.4094 30.0597 177.8461 42 E 3.9466 7.9186 117.8772 59.8132 29.5290 179.5636 43 I 3.6940 7.8813 119.1493 64.4103 36.9384 178.2706 44 A 4.0905 7.8841 120.5257 55.1557 18.4996 179.4199 45 E 4.0261 8.2921 117.1309 59.6279 29.4389 179.2686 46 L 3.9673 7.7072 118.9472 57.9711 42.4163 178.4074 47 K 4.1297 8.6034 118.7169 57.8591 32.1098 177.9514 48 M 3.9041 7.7296 118.7190 59.1504 31.8313 176.2480 49 P 4.2392 0.0000 0.0000 64.8150 31.8004 176.5820 50 D 4.7498 8.3622 115.9983 53.9154 42.0351 175.6707 51 L 4.8609 7.8974 121.4102 53.3930 42.8503 176.3754 52 N 4.5816 8.6176 119.9137 53.0672 37.5959 175.2217 53 A 4.1958 7.5941 121.0706 52.5820 19.2541 177.3114 54 A 4.0992 8.1045 122.8771 53.5313 18.9850 179.3035 55 S 4.5293 8.1096 109.5221 56.4017 66.5829 175.3438 56 I 3.6735 8.2726 123.8614 64.6396 36.9213 178.2411 57 E 4.1056 8.3447 117.6545 59.4698 29.1355 179.1928 58 A 3.9429 7.6854 120.4654 54.8605 18.5982 179.0321 59 A 3.9529 8.0247 119.5103 56.0687 18.3378 179.5824 60 M 3.9622 8.7060 117.0464 58.6407 32.1084 179.1005 61 R 3.8985 7.8825 117.4345 59.7810 30.1003 178.8515 62 M 4.0355 7.6902 116.6348 58.4471 32.2555 178.4293 63 I 3.8435 7.4697 119.4264 64.7457 37.5068 178.2499 64 E 4.0547 8.7577 119.6307 59.5882 29.3906 179.8496 65 G 3.6602 8.1967 105.4637 47.7314 0.0000 175.6504 66 T 4.2011 8.2231 117.8092 65.7928 68.4094 176.9795 67 A 4.0998 7.8074 122.5856 54.7885 18.4083 179.5349 68 R 3.8474 7.9398 117.3470 59.6917 30.0435 178.7129 69 S 4.3260 7.4288 111.5891 61.0756 62.7257 175.3593 70 M 4.6264 7.5949 116.2415 53.3851 33.0460 173.7539 71 G 3.6836 9.3442 112.9252 45.5793 0.0000 174.0110 72 I 4.6167 8.0567 124.2828 62.1323 38.4394 174.9604 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 6 K 8.21 5.23 0.00 1.76 1.85 0.00 1.70 0.00 0.00 2.36 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.43 7.81 7 T 7.39 4.54 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 8 P 0.00 4.21 0.00 2.03 2.02 0.00 3.71 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 2.03 2.12 0.00 9 P 0.00 4.33 0.00 2.15 2.00 0.00 3.61 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 10 A 8.65 3.96 1.32 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 0.00 0.00 11 A 8.23 3.92 1.31 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 0.00 0.00 0.00 12 V 7.68 3.55 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 1.05 0.00 0.00 0.93 0.00 0.00 13 L 8.20 3.96 0.00 1.95 1.77 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.61 4.11 0.00 1.91 1.72 0.97 1.17 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 15 K 8.23 3.99 0.00 2.00 1.98 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.44 7.81 16 K 8.20 4.00 0.00 1.72 1.98 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.46 7.81 17 A 8.43 4.04 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 18 A 8.60 4.06 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 19 G 9.81 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 0.00 0.00 0.00 20 I 7.17 4.64 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 1.54 0.64 0.91 0.00 0.00 21 E 8.58 4.60 0.00 1.94 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 2.20 2.23 0.00 22 S 7.57 4.76 0.00 3.80 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.66 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 0.00 0.00 0.00 24 S 8.42 4.73 0.00 3.85 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 25 G 8.04 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 0.00 0.00 0.00 26 E 7.88 3.37 0.00 2.07 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.32 0.00 27 P 0.00 4.36 0.00 2.17 2.18 0.00 3.89 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 2.06 1.99 0.00 28 N 7.78 4.43 0.00 2.78 2.86 0.00 0.00 6.97 7.06 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 29 R 7.38 4.42 0.00 1.78 1.88 0.00 3.38 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 30 N 8.26 4.43 0.00 2.71 2.76 0.00 0.00 7.14 7.61 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 31 K 8.70 4.15 0.00 1.85 1.82 0.00 1.80 0.00 0.00 1.83 0.00 0.00 3.11 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.59 1.41 7.81 32 V 6.76 4.22 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 0.72 0.00 0.00 0.93 0.00 0.00 33 A 7.92 4.83 1.24 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 0.00 0.00 0.00 34 T 7.66 4.38 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 35 I 8.06 4.04 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 1.69 0.80 0.91 0.00 0.00 36 K 8.90 4.20 0.00 2.00 1.94 0.00 1.53 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.52 7.81 37 R 7.98 3.95 0.00 1.80 2.07 0.00 3.18 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 38 D 7.90 4.68 0.00 2.75 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 39 K 8.63 3.94 0.00 1.91 1.84 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.58 7.81 40 V 7.76 3.59 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 0.99 0.00 0.00 0.93 0.00 0.00 41 R 7.92 3.85 0.00 1.91 1.90 0.00 3.25 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.72 0.00 42 E 7.92 3.95 0.00 2.22 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 2.34 2.65 0.00 43 I 7.88 3.69 1.98 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 1.45 0.78 0.91 0.00 0.00 44 A 7.88 4.09 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 45 E 8.29 4.03 0.00 2.16 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 2.31 2.53 0.00 46 L 7.71 3.97 0.00 1.63 1.82 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.60 4.13 0.00 1.98 1.77 0.00 1.61 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.48 7.81 48 M 7.73 3.90 0.00 2.20 2.29 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.66 0.00 49 P 0.00 4.24 0.00 2.06 2.11 0.00 3.78 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 2.03 2.18 0.00 50 D 8.36 4.75 0.00 2.88 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.90 4.86 0.00 1.69 1.57 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.62 4.58 0.00 2.83 2.90 0.00 0.00 6.13 7.26 0.00 0.00 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 A 7.59 4.20 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.10 4.10 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 55 S 8.11 4.53 0.00 4.28 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 56 I 8.27 3.67 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 1.69 0.49 0.91 0.00 0.00 57 E 8.34 4.11 0.00 2.15 2.23 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 2.37 2.34 0.00 58 A 7.69 3.94 1.36 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 0.00 0.00 59 A 8.02 3.95 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 60 M 8.71 3.96 0.00 2.17 2.28 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.58 0.00 61 R 7.88 3.90 0.00 2.06 2.01 0.00 3.17 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 62 M 7.69 4.04 0.00 2.03 2.29 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 2.63 2.58 0.00 63 I 7.47 3.84 1.98 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 1.74 0.99 0.91 0.00 0.00 64 E 8.76 4.05 0.00 2.09 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 2.33 2.52 0.00 65 G 8.20 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.22 4.20 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 1.21 0.00 0.00 67 A 7.81 4.10 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 68 R 7.94 3.85 0.00 1.93 2.07 0.00 3.12 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 69 S 7.43 4.33 0.00 4.12 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 70 M 7.59 4.63 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.84 0.00 71 G 9.34 3.68 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 0.00 0.00 0.00 72 I 8.06 4.62 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 1.15 1.44 0.98 0.00 0.00