NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.3567 8.3001 120.3489 55.7530 32.0966 174.2874 1 A 4.2211 8.1751 127.5643 51.5350 20.2688 175.6613 2 Q 4.1604 8.4183 119.7691 56.2168 30.5524 173.8813 3 A 4.7783 8.6581 128.2156 51.1470 21.3263 175.8239 4 S 5.1750 8.9034 116.1077 56.3253 67.1751 173.5407 5 V 4.3262 8.4828 121.9832 62.8317 32.4601 174.9668 6 V 4.8132 8.7209 127.4156 60.5004 34.8814 174.3705 7 A 4.4356 8.8331 129.8618 52.7356 18.7771 177.3442 8 N 4.7260 9.2845 121.9181 54.5117 39.6233 174.1011 9 Q 4.6052 7.5263 114.0226 55.4556 31.6838 173.5434 10 L 4.2100 8.5127 122.1451 55.4066 42.9193 176.0133 11 I 4.4088 8.5749 127.3557 58.8136 39.2004 173.5112 12 P 4.6226 0.0000 0.0000 61.9198 32.5753 176.1612 13 I 3.8550 8.3592 122.2809 63.0978 38.1560 175.2983 14 N 4.3440 8.5750 121.9184 54.2247 36.8754 174.5391 15 T 4.1593 7.6075 115.8750 63.8091 69.8282 173.3788 16 H 5.0643 8.6128 122.5105 54.9129 29.8836 175.2849 17 L 4.2889 9.2400 124.7753 55.0789 42.9347 176.4935 18 T 4.8744 8.2885 112.3972 59.4137 71.9057 174.8947 19 L 4.0115 8.4740 122.9751 58.1029 42.2849 179.2023 20 V 3.7314 7.7054 110.4950 63.7920 31.8629 176.7347 21 M 4.2713 7.9863 118.5772 56.4186 32.2936 175.3039 22 M 5.2738 7.6978 118.8764 53.3292 34.8858 175.2003 23 R 4.7072 9.0464 119.9309 54.3616 33.5079 174.0854 24 S 5.2111 8.3313 113.2938 56.6244 64.4879 172.5694 25 E 4.6842 8.8147 125.9748 55.0451 33.5991 174.1908 26 V 4.3796 8.3766 126.1166 62.2802 31.7267 175.3743 27 V 4.6205 8.2818 120.3532 59.6048 35.6315 175.1203 28 T 4.6115 8.1314 110.8127 58.9589 70.9765 172.3670 29 P 4.4770 0.0000 0.0000 62.3698 32.2102 176.2537 30 V 3.9766 8.1539 112.9493 61.2523 32.9423 176.8475 31 G 4.3634 8.4227 111.7868 45.4180 0.0000 173.0020 32 I 3.9176 8.3179 123.5347 61.0425 38.4306 174.3255 33 P 4.6673 0.0000 0.0000 62.7059 31.9211 177.3074 34 A 4.0220 8.9307 126.1916 55.3475 17.9734 179.9268 35 E 4.0078 8.1736 114.7923 59.4474 29.9606 178.2464 36 D 4.6056 8.2471 118.3866 55.1653 40.9216 177.9639 37 I 3.6582 7.6818 121.7980 64.1110 36.8997 175.7606 38 P 4.2311 0.0000 0.0000 66.1402 30.9769 178.6453 39 R 3.9743 7.7382 114.7250 59.2955 30.2196 178.7675 40 L 4.2104 7.8584 118.0906 55.6728 41.7398 177.3829 41 V 3.8868 6.8314 119.2059 64.3346 31.7614 176.2525 42 S 4.1878 9.0060 122.2846 58.8625 61.4589 169.4715 43 M 4.5500 8.0134 120.6732 54.5877 34.0362 174.6769 44 Q 5.0557 8.4045 121.3731 54.5851 31.9232 175.0330 45 V 4.4554 8.4118 119.6489 60.8839 33.1955 176.1280 46 N 5.0118 8.7476 120.8637 52.5983 37.9383 174.1222 47 R 4.7076 7.5444 114.1299 55.0877 32.5828 174.2541 48 A 4.3315 8.5190 121.6832 52.0435 19.4071 177.5786 49 V 4.2052 8.7131 121.9965 60.1798 33.5585 173.2873 50 P 4.6298 0.0000 0.0000 61.9623 32.7404 175.9179 51 L 4.0179 8.4105 123.6663 57.1045 42.1934 177.6388 52 G 3.9671 9.1416 114.7885 45.2424 0.0000 173.0944 53 T 4.4618 7.6000 110.7157 60.5887 70.9182 174.4988 54 T 4.3516 8.3373 121.2355 63.4899 69.3910 173.7435 55 L 4.1383 8.8682 129.6858 55.1330 43.1327 175.9389 56 M 4.7564 8.4696 125.7148 52.9019 34.3093 175.0678 57 P 4.2435 0.0000 0.0000 66.0436 31.5446 178.1205 58 D 4.6145 8.0179 114.2425 54.9882 39.7697 176.5354 59 M 4.2160 8.2480 119.7641 55.7939 32.8969 175.5284 60 V 4.5905 7.3587 120.1010 60.3315 33.2754 174.7616 61 K 4.2431 8.9658 128.5280 57.9681 32.0420 177.6562 62 G 3.9756 9.0323 112.6114 45.2192 0.0000 172.5834 63 Y 4.2884 7.6326 120.6097 57.1907 39.4240 174.6882 64 A 4.1511 7.4306 127.9253 50.8075 22.3210 175.9352 65 A 4.0196 8.1066 124.6123 52.0709 19.3050 176.5791 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 0 M 8.30 4.36 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 1 A 8.18 4.22 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 2 Q 8.42 4.16 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 3 A 8.66 4.78 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 4 S 8.90 5.17 0.00 3.70 3.73 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 5 V 8.48 4.33 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 0.93 0.00 0.00 0.88 0.00 0.00 6 V 8.72 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 1.07 0.00 0.00 0.92 0.00 0.00 7 A 8.83 4.44 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.28 4.73 0.00 2.68 2.98 0.00 0.00 7.08 7.07 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 9 Q 7.53 4.61 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.69 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 10 L 8.51 4.21 0.00 1.65 1.61 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.57 4.41 1.85 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 1.22 0.84 0.89 0.00 0.00 12 P 0.00 4.62 0.00 2.06 1.96 0.00 3.61 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 13 I 8.36 3.86 1.86 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 1.40 0.80 0.90 0.00 0.00 14 N 8.57 4.34 0.00 2.94 2.88 0.00 0.00 7.03 6.83 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 15 T 7.61 4.16 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 1.21 0.00 0.00 16 H 8.61 5.06 0.00 3.05 3.23 0.00 5.70 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 9.24 4.29 0.00 1.72 1.58 0.95 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.29 4.87 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 1.22 0.00 0.00 19 L 8.47 4.01 0.00 1.74 1.70 0.92 0.90 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 20 V 7.71 3.73 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 0.76 0.00 0.00 0.98 0.00 0.00 21 M 7.99 4.27 0.00 2.11 2.22 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 2.60 2.50 0.00 22 M 7.70 5.27 0.00 1.81 1.93 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.41 0.00 23 R 9.05 4.71 0.00 1.82 2.02 0.00 2.71 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.52 0.00 24 S 8.33 5.21 0.00 3.86 3.75 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 25 E 8.81 4.68 0.00 2.06 1.70 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 2.21 2.24 0.00 26 V 8.38 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 0.91 0.00 0.00 0.93 0.00 0.00 27 V 8.28 4.62 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 0.82 0.00 0.00 0.92 0.00 0.00 28 T 8.13 4.61 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 29 P 0.00 4.48 0.00 2.20 2.09 0.00 3.75 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 1.98 1.98 0.00 30 V 8.15 3.98 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 0.70 0.00 0.00 0.94 0.00 0.00 31 G 8.42 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 0.00 0.00 0.00 0.00 32 I 8.32 3.92 1.72 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.53 0.74 0.00 0.00 33 P 0.00 4.67 0.00 2.10 2.00 0.00 3.88 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 2.17 2.14 0.00 34 A 8.93 4.02 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 35 E 8.17 4.01 0.00 2.15 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 0.00 2.30 2.43 0.00 36 D 8.25 4.61 0.00 2.93 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 37 I 7.68 3.66 1.87 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 1.50 1.45 0.91 0.00 0.00 38 P 0.00 4.23 0.00 2.17 2.14 0.00 3.79 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 39 R 7.74 3.97 0.00 2.03 2.10 0.00 3.21 0.00 0.00 3.45 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 40 L 7.86 4.21 0.00 1.79 1.68 0.81 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 41 V 6.83 3.89 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 0.76 0.00 0.00 0.98 0.00 0.00 42 S 9.01 4.19 0.00 4.09 4.06 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 0.00 0.00 0.00 43 M 8.01 4.55 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.53 0.00 44 Q 8.40 5.06 0.00 2.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.04 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 45 V 8.41 4.46 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 0.77 0.00 0.00 0.99 0.00 0.00 46 N 8.75 5.01 0.00 2.70 2.89 0.00 0.00 6.73 8.19 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 47 R 7.54 4.71 0.00 1.78 1.90 0.00 3.02 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 1.49 1.62 0.00 48 A 8.52 4.33 1.23 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 0.00 0.00 0.00 49 V 8.71 4.21 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 1.03 0.00 0.00 0.93 0.00 0.00 50 P 0.00 4.63 0.00 2.10 1.95 0.00 3.66 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 2.11 2.09 0.00 51 L 8.41 4.02 0.00 1.57 1.59 1.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 52 G 9.14 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 53 T 7.60 4.46 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 1.27 0.00 0.00 54 T 8.34 4.35 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 1.19 0.00 0.00 55 L 8.87 4.14 0.00 1.72 1.46 0.87 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 56 M 8.47 4.76 0.00 2.11 2.02 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 2.60 2.64 0.00 57 P 0.00 4.24 0.00 2.28 2.43 0.00 3.61 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 58 D 8.02 4.61 0.00 2.80 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 M 8.25 4.22 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.45 0.00 60 V 7.36 4.59 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 1.02 0.00 0.00 0.78 0.00 0.00 61 K 8.97 4.24 0.00 1.87 1.77 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.40 7.81 62 G 9.03 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 0.00 0.00 0.00 0.00 63 Y 7.63 4.29 0.00 2.92 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 64 A 7.43 4.15 1.05 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 0.00 0.00 65 A 8.11 4.02 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00