NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 V 4.0748 8.0544 120.4166 62.7152 32.4872 174.1617 7 D 4.7225 8.7902 126.7908 52.5390 43.0415 174.4035 8 C 4.8031 8.5732 123.3765 56.7222 41.4868 175.1675 9 S 3.9942 7.9275 116.7341 61.2833 62.4047 175.1299 10 E 4.2383 8.3247 117.7924 56.8750 29.5993 175.6416 11 Y 4.3420 8.0798 118.2832 55.5608 39.7168 173.2547 12 P 5.0290 0.0000 0.0000 62.3155 31.3234 175.4501 13 K 4.5992 9.0582 117.7989 53.6420 34.7942 176.2704 14 P 4.4234 0.0000 0.0000 65.2201 31.6077 176.1274 15 A 4.7223 7.2388 119.4726 51.0032 22.2441 174.4966 16 C 5.1596 8.4115 116.7525 55.0340 43.7951 174.5546 17 T 4.3872 8.3506 112.3593 61.6129 69.4874 174.2640 18 K 4.6969 8.2266 119.8227 55.8310 32.8204 176.5889 19 E 4.2977 8.1715 115.6395 55.9098 30.9587 175.1805 20 Y 4.8459 8.3909 121.1062 56.4813 39.5929 176.1739 21 R 4.5901 8.5987 127.5694 53.8156 32.7820 172.5002 22 P 4.5868 0.0000 0.0000 62.7174 33.0106 175.6413 23 L 4.9547 8.8945 120.9473 53.0868 46.2236 174.4637 24 C 4.9856 8.7066 122.7915 54.9552 46.2924 173.6507 25 G 4.6518 9.0534 114.2482 45.1832 0.0000 174.5509 26 S 4.4440 9.0272 115.0562 59.9106 63.0566 174.6817 27 D 4.6374 8.1096 119.8260 53.0117 39.4571 176.4118 28 N 4.3029 8.2539 115.2668 53.9711 36.8690 173.3773 29 K 4.4463 8.2097 120.5161 55.1904 34.2092 175.5241 30 T 4.6817 8.3116 124.0012 63.3655 69.3148 173.5747 31 Y 4.2869 9.2603 125.6665 56.4080 39.3257 177.4112 32 G 3.7066 9.0509 113.3204 48.6658 0.0000 172.4310 33 N 5.3100 7.6654 116.7765 51.4492 40.9535 175.1228 34 K 3.9099 8.5337 121.0491 59.8507 32.1701 178.9799 35 C 4.6526 8.2308 119.4818 59.3234 41.2882 175.1480 36 N 4.3675 8.9958 118.4852 56.1975 38.1412 177.1012 37 F 3.4255 8.4010 122.0453 61.5014 39.5350 176.5834 38 C 3.6883 8.2573 116.3615 59.7476 38.7387 175.9546 39 N 4.2768 7.9879 117.9390 56.2238 38.1153 177.3496 40 A 3.8928 7.7429 122.2297 54.8360 18.3753 179.8795 41 V 3.1404 7.0944 116.9478 65.8912 31.4289 178.4565 42 V 3.4978 7.5596 117.9296 66.0589 31.2083 177.6285 43 E 3.9159 8.2363 118.2075 58.7660 29.5469 177.8883 44 S 4.4103 7.8474 112.6102 57.2899 63.3401 173.5635 45 N 4.1015 9.0269 119.9082 55.1332 37.4574 174.8519 46 G 3.9079 8.2813 102.8221 45.6145 0.0000 175.3111 47 T 4.0802 7.4294 111.0388 63.2636 69.4204 175.3952 48 L 4.1404 7.7156 124.2911 54.7581 42.7177 175.4416 49 T 4.8556 8.5194 114.6619 59.5531 73.0116 172.1893 50 L 4.1381 8.4557 124.0046 55.0490 42.2062 175.9261 51 S 4.4585 9.0053 123.1051 60.2804 62.6620 173.3612 52 H 4.5699 7.2195 112.2646 54.7602 31.6144 171.9016 53 F 4.3745 8.6839 117.8684 57.9391 39.7250 175.9160 54 G 3.8565 8.4588 110.0750 44.0943 0.0000 173.3049 55 K 4.1919 8.1120 117.3418 56.3138 32.6599 178.2129 56 C 4.5326 8.8850 118.6476 57.4620 41.0819 173.7947 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 V 8.05 4.07 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 1.02 0.00 0.00 1.02 0.00 0.00 7 D 8.79 4.72 0.00 2.74 2.58 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 8 C 8.57 4.80 0.00 2.94 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 9 S 7.93 3.99 0.00 4.00 4.21 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 10 E 8.32 4.24 0.00 1.97 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 2.28 2.35 0.00 11 Y 8.08 4.34 0.00 3.19 2.90 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 12 P 0.00 5.03 0.00 2.22 2.12 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 13 K 9.06 4.60 0.00 1.73 1.62 0.00 0.61 0.00 0.00 1.46 0.00 0.00 2.72 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.07 0.76 7.81 14 P 0.00 4.42 0.00 2.17 2.18 0.00 3.72 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 15 A 7.24 4.72 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 16 C 8.41 5.16 0.00 2.99 3.04 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 17 T 8.35 4.39 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 1.24 0.00 0.00 18 K 8.23 4.70 0.00 1.77 1.87 0.00 1.81 0.00 0.00 1.82 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.36 7.81 19 E 8.17 4.30 0.00 2.13 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 2.27 0.00 20 Y 8.39 4.85 0.00 2.87 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 21 R 8.60 4.59 0.00 1.65 1.72 0.00 3.17 0.00 0.00 3.22 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 22 P 0.00 4.59 0.00 1.96 1.71 0.00 3.34 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.66 0.00 23 L 8.89 4.95 0.00 1.33 1.02 0.50 0.91 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 24 C 8.71 4.99 0.00 2.88 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 9.05 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.03 4.44 0.00 4.00 4.09 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 27 D 8.11 4.64 0.00 2.84 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.25 4.30 0.00 2.94 3.01 0.00 0.00 6.75 6.99 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 29 K 8.21 4.45 0.00 1.76 1.62 0.00 1.43 0.00 0.00 1.01 0.00 0.00 2.67 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.74 1.16 7.81 30 T 8.31 4.68 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 1.29 0.00 0.00 31 Y 9.26 4.29 0.00 3.06 3.03 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 0.00 0.00 0.00 0.00 32 G 9.05 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 0.00 0.00 0.00 33 N 7.67 5.31 0.00 2.99 3.07 0.00 0.00 6.36 7.40 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 34 K 8.53 3.91 0.00 1.89 1.92 0.00 1.80 0.00 0.00 1.84 0.00 0.00 3.07 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.61 1.55 7.81 35 C 8.23 4.65 0.00 3.21 3.34 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 36 N 9.00 4.37 0.00 3.19 3.07 0.00 0.00 6.69 7.70 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 37 F 8.40 3.43 0.00 3.00 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 38 C 8.26 3.69 0.00 1.54 1.46 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 0.00 39 N 7.99 4.28 0.00 3.00 2.88 0.00 0.00 6.86 7.59 0.00 0.00 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 A 7.74 3.89 1.16 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 41 V 7.09 3.14 1.79 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 0.82 0.00 0.00 -0.02 0.00 0.00 42 V 7.56 3.50 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 1.03 0.00 0.00 0.99 0.00 0.00 43 E 8.24 3.92 0.00 2.02 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 0.00 2.31 2.31 0.00 44 S 7.85 4.41 0.00 4.05 4.09 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 45 N 9.03 4.10 0.00 2.81 2.89 0.00 0.00 7.17 8.66 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 46 G 8.28 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.43 4.08 4.22 0.00 0.00 0.00 0.00 0.00 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 48 L 7.72 4.14 0.00 1.50 1.37 1.04 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.52 4.86 4.26 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 1.20 0.00 0.00 50 L 8.46 4.14 0.00 1.36 1.42 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 51 S 9.01 4.46 0.00 3.87 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 52 H 7.22 4.57 0.00 3.19 3.31 0.00 5.50 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.68 4.37 0.00 3.03 2.98 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 54 G 8.46 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.11 4.19 0.00 1.81 1.80 0.00 1.83 0.00 0.00 1.78 0.00 0.00 3.16 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.54 7.81 56 C 8.89 4.53 0.00 2.94 3.02 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 0.00 0.00 0.00 0.00