NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.6308 0.0000 0.0000 62.8670 33.3043 175.0436 2 R 4.5925 8.7687 119.2155 54.4679 33.5344 172.0105 3 R 4.8258 8.7759 119.7971 54.8578 33.8209 176.2637 4 I 4.1575 8.2522 122.7409 59.7496 40.3710 173.4637 5 I 4.9020 8.4410 130.7337 59.6481 39.9612 175.0990 6 L 5.8322 8.9471 123.8798 52.1466 46.3024 176.0567 7 S 5.4106 8.3005 115.8690 56.3364 63.9271 171.5489 8 R 4.3871 8.2931 128.7620 56.9297 35.0515 175.0575 9 L 5.0526 7.8113 116.2415 54.9912 41.3342 174.3177 10 K 4.6718 8.2054 116.8163 55.7883 34.9748 175.5462 11 A 4.6545 8.5586 118.7522 49.6125 16.5639 177.8862 12 G 4.9010 7.4949 122.2710 45.8380 0.0000 171.6174 13 E 4.2680 7.3429 118.0805 56.8853 29.6854 178.3218 14 V 3.5542 7.7096 119.2890 66.4494 31.5496 177.4101 15 D 4.4166 8.1472 117.6093 57.3081 40.5931 178.7091 16 L 4.0141 7.9628 119.6898 58.0605 41.5196 178.8851 17 L 4.1037 8.0765 119.6916 57.2741 41.6252 178.8803 18 E 4.1205 8.0332 117.3655 59.0277 29.4942 178.6609 19 E 3.9899 8.2401 120.7016 59.2022 29.8237 178.3660 20 E 3.9953 8.3228 118.2259 59.8910 29.7457 179.8502 21 L 4.2208 8.0966 118.8131 57.3343 41.4868 178.9027 22 G 4.1593 7.9295 103.1129 43.6184 0.0000 173.9309 23 H 4.8851 8.2166 118.9040 56.0884 31.0785 174.4233 24 L 4.5353 7.6714 118.2163 55.9779 43.5763 175.4395 25 T 4.3527 7.9006 111.3921 61.6422 70.1330 171.3477 26 T 4.6189 8.2053 112.7028 59.6919 69.4317 174.8937 27 L 4.4016 8.2467 128.3982 55.0552 41.8008 176.1991 28 T 4.4337 7.5204 112.3299 65.9145 72.7318 173.9356 29 D 4.6706 7.4509 113.7661 53.5616 41.2222 176.2662 30 V 4.1623 7.9387 113.3085 61.7810 32.6796 177.6425 31 V 4.6618 8.6936 122.3769 59.8200 34.7671 174.5769 32 K 4.5552 8.2132 120.3944 55.6673 35.2713 174.8851 33 G 3.8986 8.3634 107.9155 44.7975 0.0000 173.2111 34 A 4.0552 8.6502 121.9413 55.2303 18.4054 178.3247 35 D 4.8106 7.8835 109.5477 52.8399 42.2573 173.8066 36 S 5.3798 8.1788 113.6920 56.1585 64.0815 172.3527 37 L 4.8116 8.3614 129.8050 53.2964 44.3451 174.9778 38 S 5.0740 8.3981 119.5639 56.7587 64.8766 173.0458 39 A 4.7503 8.7615 127.3397 50.5718 20.6494 176.0384 40 I 4.4185 8.1541 120.5547 59.9072 38.7844 174.2513 41 L 4.9568 8.3476 128.0878 52.2875 43.9366 175.9802 42 P 4.8721 0.0000 0.0000 62.5038 33.2759 176.8498 43 G 4.2351 8.6044 110.3606 45.7197 0.0000 173.6761 44 D 4.8346 7.8400 118.0684 52.5295 39.9188 174.5644 45 I 4.6617 7.9788 122.4990 61.2661 40.3016 175.2007 46 A 4.5721 8.3103 114.8239 51.4207 17.9989 178.4981 47 E 3.9550 8.1378 125.8585 60.7339 29.6021 179.3304 48 D 4.2731 7.9730 117.6146 57.0715 40.9433 177.9673 49 D 4.4273 7.9075 117.7508 56.2526 41.2572 177.9890 50 I 3.9312 7.8435 120.8589 64.6117 36.3764 177.8937 51 T 3.8092 7.5905 116.2064 66.7611 67.9521 176.0408 52 A 4.4806 7.4748 120.8254 54.9231 19.2944 179.1225 53 V 3.8270 7.9164 117.1573 64.9508 31.6609 177.9008 54 L 4.0165 8.5179 118.6467 58.2954 41.7355 179.7019 55 C 4.1840 7.6800 114.1964 61.3436 29.3700 175.2023 56 F 4.3559 8.1364 116.9036 57.8038 38.6692 176.5208 57 V 4.3764 7.7511 117.5711 62.7668 32.0340 175.1859 58 I 4.6784 7.0422 109.1283 61.3602 41.6371 174.4705 59 E 4.6522 7.8541 121.2985 55.8618 33.3774 176.9561 60 A 4.5807 8.4587 119.7107 51.4328 19.5661 176.7572 61 D 4.6032 8.3624 114.6015 56.9947 43.5770 175.1473 62 Q 4.6787 8.1251 113.8169 55.2192 31.4918 174.0973 63 I 5.0780 7.6949 119.5396 60.1881 39.7898 175.1820 64 T 4.7477 8.5410 120.0266 62.7197 73.6457 172.5463 65 F 4.9963 9.1582 124.2859 56.1623 40.9511 175.0169 66 E 4.4902 8.8003 126.8413 54.2755 30.5220 174.6762 67 T 4.2389 8.5364 121.3840 62.0464 68.3288 173.2542 68 V 4.5793 7.8349 119.0597 60.1734 32.5462 175.3492 69 E 4.0526 7.7689 125.9038 56.8950 29.3941 176.2930 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 4.63 0.00 2.22 2.27 0.00 3.42 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 1.98 2.10 0.00 2 R 8.77 4.59 0.00 1.99 2.09 0.00 3.10 0.00 0.00 3.54 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.93 0.00 3 R 8.78 4.83 0.00 1.89 2.02 0.00 2.98 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.45 0.00 4 I 8.25 4.16 0.56 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.17 0.49 0.00 0.00 5 I 8.44 4.90 1.83 0.00 0.00 0.81 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 0.91 0.91 0.00 0.00 6 L 8.95 5.83 0.00 1.59 1.50 0.98 0.55 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 7 S 8.30 5.41 0.00 3.80 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 0.00 8 R 8.29 4.39 0.00 1.70 1.90 0.00 3.29 0.00 0.00 3.37 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.57 0.00 9 L 7.81 5.05 0.00 1.79 1.72 0.91 0.47 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 10 K 8.21 4.67 0.00 1.78 1.73 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.39 7.81 11 A 8.56 4.65 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.49 4.90 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 13 E 7.34 4.27 0.00 2.15 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 2.31 2.31 0.00 14 V 7.71 3.55 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 1.18 0.00 0.00 0.97 0.00 0.00 15 D 8.15 4.42 0.00 2.71 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.96 4.01 0.00 1.72 1.68 0.93 0.43 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 17 L 8.08 4.10 0.00 1.83 1.64 0.94 0.71 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 18 E 8.03 4.12 0.00 2.23 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 0.00 2.35 2.58 0.00 19 E 8.24 3.99 0.00 2.14 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 2.30 2.41 0.00 20 E 8.32 4.00 0.00 2.03 2.06 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 0.00 2.63 2.55 0.00 21 L 8.10 4.22 0.00 1.90 1.75 1.05 0.95 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 22 G 7.93 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.22 4.89 0.00 3.34 3.31 0.00 5.74 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.67 4.54 0.00 1.73 1.70 0.97 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 25 T 7.90 4.35 4.27 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 1.33 0.00 0.00 26 T 8.21 4.62 4.25 0.00 0.00 0.00 0.00 0.00 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 27 L 8.25 4.40 0.00 1.66 1.71 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 28 T 7.52 4.43 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 1.20 0.00 0.00 29 D 7.45 4.67 0.00 2.59 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.94 4.16 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 0.82 0.00 0.00 0.97 0.00 0.00 31 V 8.69 4.66 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 0.92 0.00 0.00 0.91 0.00 0.00 32 K 8.21 4.56 0.00 1.73 1.81 0.00 1.49 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 1.46 7.81 33 G 8.36 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 34 A 8.65 4.06 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 35 D 7.88 4.81 0.00 2.75 2.88 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 36 S 8.18 5.38 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 37 L 8.36 4.81 0.00 1.74 1.48 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.40 5.07 0.00 3.89 3.92 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 39 A 8.76 4.75 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 40 I 8.15 4.42 1.94 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.75 0.94 0.00 0.00 41 L 8.35 4.96 0.00 1.58 1.76 1.12 0.88 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 42 P 0.00 4.87 0.00 2.33 2.12 0.00 3.78 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 43 G 8.60 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 0.00 0.00 0.00 0.00 44 D 7.84 4.83 0.00 2.73 2.69 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 45 I 7.98 4.66 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.99 1.03 0.00 0.00 46 A 8.31 4.57 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 47 E 8.14 3.95 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 2.60 2.57 0.00 48 D 7.97 4.27 0.00 2.64 2.66 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 49 D 7.91 4.43 0.00 2.73 2.69 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 50 I 7.84 3.93 2.27 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.89 1.19 0.00 0.00 51 T 7.59 3.81 3.98 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 0.00 0.00 1.11 0.00 0.00 52 A 7.47 4.48 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 53 V 7.92 3.83 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.97 0.00 0.00 54 L 8.52 4.02 0.00 2.00 1.84 1.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 55 C 7.68 4.18 0.00 3.40 3.26 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 0.00 0.00 0.00 0.00 56 F 8.14 4.36 0.00 3.36 3.09 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 57 V 7.75 4.38 2.30 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 0.87 0.00 0.00 1.01 0.00 0.00 58 I 7.04 4.68 1.87 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 1.55 0.83 0.92 0.00 0.00 59 E 7.85 4.65 0.00 1.98 1.77 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 2.08 2.14 0.00 60 A 8.46 4.58 1.08 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 0.00 0.00 0.00 0.00 0.00 61 D 8.36 4.60 0.00 2.54 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 62 Q 8.13 4.68 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.36 6.64 0.00 0.00 0.00 0.00 0.00 2.50 2.37 0.00 63 I 7.69 5.08 1.92 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 1.47 0.51 1.10 0.00 0.00 64 T 8.54 4.75 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 1.28 0.00 0.00 65 F 9.16 5.00 0.00 2.79 3.08 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 0.00 0.00 0.00 66 E 8.80 4.49 0.00 2.07 1.83 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 2.21 2.28 0.00 67 T 8.54 4.24 4.28 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 0.00 0.00 0.00 1.23 0.00 0.00 68 V 7.83 4.58 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 0.87 0.00 0.00 0.89 0.00 0.00 69 E 7.77 4.05 0.00 2.06 1.88 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 2.34 2.30 0.00