NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4216 8.1233 123.5839 51.6127 20.8926 178.5629 2 E 3.8737 8.7868 117.2539 58.1873 30.4127 177.4740 3 G 3.7317 7.9047 105.7260 47.6063 0.0000 174.6431 4 D 4.4839 8.0248 119.9911 54.9218 39.8488 177.9252 5 D 4.3634 8.0333 121.3705 57.3858 40.9399 176.9232 6 P 4.2647 0.0000 0.0000 65.5119 31.3274 178.6105 7 A 3.9166 7.4818 117.1018 54.8084 18.2707 179.8437 8 K 4.0903 8.3147 117.1368 59.6479 32.1538 179.4683 9 A 4.0335 8.0765 120.8102 55.0332 18.2904 179.5406 10 A 3.9440 8.0631 119.3784 55.3902 18.4368 179.9411 11 F 4.5941 8.3138 116.2752 60.6670 38.8935 177.7512 12 D 4.4390 8.1787 118.8570 57.5370 40.6436 178.9461 13 S 4.2003 8.2120 115.6919 61.5990 62.8047 176.7866 14 L 4.1210 8.1965 121.7900 57.7596 41.4679 179.3584 15 Q 4.0163 8.2823 119.5148 59.0103 29.0436 178.0330 16 A 4.0584 8.1612 121.9760 55.2670 18.4503 179.8159 17 S 4.9576 8.5286 114.8796 61.3024 62.9148 176.7310 18 A 4.2722 8.2244 123.5475 55.5924 18.0622 179.8631 19 T 3.9447 7.8833 114.0135 66.5360 68.5814 176.9562 20 E 3.8454 7.9735 120.2195 59.6100 29.6044 178.7806 21 Y 4.3390 7.8585 116.6456 61.4737 37.9481 179.0746 22 I 3.6749 8.0655 120.6622 64.0269 37.0956 178.8118 23 G 3.8051 8.0449 106.8968 48.1090 0.0000 175.4717 24 Y 4.3371 7.9270 118.5371 60.5737 37.7615 178.6512 25 A 4.0217 7.9533 121.7829 55.0250 18.6514 179.5998 26 W 4.3896 8.0910 117.3271 59.9772 29.1207 178.6852 27 A 4.1023 8.2665 120.6546 55.3666 17.9624 179.3399 28 M 4.0352 8.2573 116.7983 58.9079 32.2858 178.6418 29 V 3.7475 7.9984 118.0869 65.4861 31.6423 178.1682 30 V 3.6382 7.6706 118.1261 65.8936 31.3479 178.1777 31 V 3.6328 7.7645 117.6201 66.0043 31.4139 178.1813 32 I 3.7483 7.7246 119.4596 64.4458 36.9005 178.6752 33 V 3.8058 8.3646 119.6067 65.6294 31.3072 178.3707 34 G 3.5825 8.1517 105.7096 47.6385 0.0000 175.6081 35 A 4.0572 8.1480 123.2027 55.2995 18.4159 179.9380 36 T 3.9101 7.9695 114.3154 66.6087 68.6064 177.2594 37 I 3.8871 8.1757 122.2863 64.1609 37.2571 178.7278 38 G 3.6702 8.1669 106.5324 48.1031 0.0000 175.9507 39 I 3.8470 7.9695 123.0450 63.8475 37.1191 178.7806 40 K 4.1664 8.3515 119.2271 59.1233 31.8234 179.4411 41 L 4.1863 7.9427 119.4337 57.6494 41.5684 179.2756 42 F 3.8193 8.3146 117.6206 60.5701 38.8553 177.8656 43 K 4.1312 8.2965 117.9492 59.2868 31.8121 179.5884 44 K 4.0373 8.2292 118.8807 59.4773 32.0237 179.2073 45 F 3.9846 8.5978 117.9930 60.9919 38.9459 177.8423 46 T 3.9688 8.0441 114.9994 66.9613 68.0527 176.9553 47 S 4.2134 8.0176 115.8304 61.4424 62.8889 176.6021 48 K 4.1003 8.0159 120.4111 59.2845 31.8272 179.0039 49 A 4.1377 7.9058 120.3932 54.9288 18.3572 178.0915 50 S 4.3941 7.7545 117.2163 58.9682 63.1056 174.0717 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 A 8.12 4.42 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 2 E 8.79 3.87 0.00 2.03 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 0.00 2.33 2.44 0.00 3 G 7.90 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 0.00 0.00 0.00 4 D 8.02 4.48 0.00 2.92 2.95 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 5 D 8.03 4.36 0.00 2.87 2.77 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 0.00 0.00 0.00 6 P 0.00 4.26 0.00 2.12 2.09 0.00 3.74 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.15 0.00 7 A 7.48 3.92 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 K 8.31 4.09 0.00 2.02 1.93 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.75 7.81 9 A 8.08 4.03 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.06 3.94 1.26 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 0.00 0.00 11 F 8.31 4.59 0.00 3.35 2.97 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 12 D 8.18 4.44 0.00 2.97 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 13 S 8.21 4.20 0.00 4.08 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 14 L 8.20 4.12 0.00 2.08 1.86 0.96 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.28 4.02 0.00 2.39 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 16 A 8.16 4.06 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.53 4.96 0.00 4.17 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 18 A 8.22 4.27 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.88 3.94 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 20 E 7.97 3.85 0.00 2.04 1.87 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 2.27 2.57 0.00 21 Y 7.86 4.34 0.00 3.24 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 22 I 8.07 3.67 2.03 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.40 0.36 0.00 0.00 23 G 8.04 3.81 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 0.00 0.00 0.00 24 Y 7.93 4.34 0.00 3.34 2.94 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 25 A 7.95 4.02 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 26 W 8.09 4.39 0.00 3.70 3.07 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 0.00 0.00 0.00 0.00 27 A 8.27 4.10 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 28 M 8.26 4.04 0.00 2.16 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 29 V 8.00 3.75 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 1.09 0.00 0.00 1.04 0.00 0.00 30 V 7.67 3.64 2.28 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 0.97 0.00 0.00 1.05 0.00 0.00 31 V 7.76 3.63 2.27 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 1.00 0.00 0.00 1.04 0.00 0.00 32 I 7.72 3.75 1.90 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 1.42 0.74 0.93 0.00 0.00 33 V 8.36 3.81 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 1.11 0.00 0.00 0.98 0.00 0.00 34 G 8.15 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 35 A 8.15 4.06 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.97 3.91 4.39 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 1.23 0.00 0.00 37 I 8.18 3.89 2.04 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 1.49 1.36 0.95 0.00 0.00 38 G 8.17 3.67 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 0.00 0.00 0.00 39 I 7.97 3.85 1.93 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 1.33 0.95 0.86 0.00 0.00 40 K 8.35 4.17 0.00 1.93 1.91 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.66 1.66 7.81 41 L 7.94 4.19 0.00 2.02 1.81 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 42 F 8.31 3.82 0.00 3.30 3.06 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 K 8.30 4.13 0.00 2.09 1.93 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.67 7.81 44 K 8.23 4.04 0.00 2.17 1.90 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.85 1.69 7.81 45 F 8.60 3.98 0.00 3.21 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 46 T 8.04 3.97 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 47 S 8.02 4.21 0.00 4.02 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 48 K 8.02 4.10 0.00 1.77 1.79 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.14 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.46 7.81 49 A 7.91 4.14 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.75 4.39 0.00 4.08 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00