NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.4880 8.1593 115.2432 62.3424 67.8412 173.8221 3 T 4.2929 9.1779 121.2023 59.7726 71.9252 174.0039 4 D 4.3275 8.8339 122.1258 57.5588 40.9836 180.1082 5 A 3.9868 7.9119 119.4430 55.1668 18.5709 179.1165 6 E 4.0645 8.2694 117.0438 59.6698 29.4820 178.8002 7 C 4.2708 8.2499 116.5040 60.2299 40.1093 176.1968 8 L 3.7907 7.9515 119.4377 57.7379 41.2709 179.2555 9 S 4.3368 7.5697 112.3169 59.0460 63.5828 174.8426 10 K 4.3188 7.4514 122.6691 55.4372 32.5905 175.1268 11 P 4.4906 0.0000 0.0000 62.1874 31.9852 176.4188 12 A 4.8157 8.4856 123.7102 52.6405 19.4086 176.0761 13 F 5.0042 8.4470 112.8041 56.1629 42.1072 172.6077 14 D 5.3085 9.2620 119.1086 52.0513 42.7424 176.9584 15 G 4.0780 8.0961 110.6064 46.4874 0.0000 170.0020 16 T 5.8624 8.3279 115.7970 61.3587 70.1743 174.4479 17 L 4.5250 8.5853 125.1448 52.9464 45.2381 175.3343 18 S 5.1308 8.1329 115.9543 56.2273 66.7074 172.9461 19 N 4.2594 8.6884 114.6708 54.4340 35.9102 175.1591 20 V 4.2002 8.1676 117.5680 62.6919 32.6304 175.0196 21 W 5.2960 8.6891 123.3811 54.5930 32.2627 173.5508 22 K 5.1426 9.0196 121.0672 54.7268 33.9699 174.8013 23 E 4.8279 9.4776 127.1409 55.6180 32.8024 176.1114 24 G 4.1478 8.3948 113.0254 47.2831 0.0000 174.8141 25 D 4.6053 8.9333 123.9369 54.2854 41.3830 175.8589 26 S 4.6203 8.3154 116.1810 56.4636 65.9993 172.9271 27 R 4.9679 7.4664 120.4237 54.7558 33.2475 174.5295 28 Y 5.5155 8.3630 117.8609 55.7513 42.9218 173.9064 29 A 4.4656 7.8667 120.2552 50.7524 22.7920 175.1536 30 N 5.3052 8.9288 117.7459 53.0794 39.9019 174.9112 31 F 4.8876 9.9317 124.0142 58.6557 42.9857 173.7260 32 E 3.5424 9.0970 126.4062 57.6214 27.0762 174.9748 33 N 4.2958 8.3484 111.1933 54.0082 36.6601 174.3000 34 C 5.4835 8.5848 115.8800 55.2259 41.1557 172.5657 35 I 5.2404 8.9502 120.8067 60.1044 39.3834 174.8055 36 Y 5.0497 9.1515 124.3418 56.2902 40.8973 174.3326 37 E 4.9033 9.8440 124.0489 54.2820 32.9874 174.2616 38 L 4.0219 7.5078 127.6181 53.7394 42.7203 175.6265 39 S 4.3703 8.4861 120.0152 57.2006 66.9227 173.8757 40 G 3.8653 8.5455 105.3841 45.1141 0.0000 172.4441 41 I 4.1806 8.1422 122.3583 60.2751 38.2058 175.2021 42 G 4.4079 8.5654 111.7890 44.4269 0.0000 171.7430 43 I 4.5036 8.8152 123.3638 59.2010 39.6456 175.4749 44 G 2.6233 7.4817 113.8471 44.9971 0.0000 172.2431 45 Y 4.4767 8.2499 117.4155 57.0380 41.7316 172.5112 46 D 4.6695 9.4605 113.5489 56.7944 39.1745 173.3507 47 N 4.2006 8.8159 109.7694 54.6035 36.7811 175.5703 48 D 4.7608 8.2940 114.2079 55.0236 38.6126 175.0846 49 T 4.6722 7.9552 109.6013 61.9939 69.9578 174.1600 50 S 5.2135 7.9505 119.5044 56.4607 65.9561 173.1535 51 W 5.2740 9.2491 123.7613 54.9419 33.2115 173.5793 52 N 5.4419 9.8072 124.0254 51.3132 40.1375 174.8103 53 G 4.0257 8.1228 112.6833 46.7227 0.0000 170.2022 54 H 4.9921 7.1980 122.2810 54.7315 31.6746 175.1931 55 W 5.0586 8.3883 126.0241 55.1043 31.7557 174.9201 56 T 5.1548 9.0323 121.3260 60.7496 71.5775 171.7467 57 P 4.0136 0.0000 0.0000 63.0220 31.3671 176.3520 58 V 4.4396 8.5912 115.7723 62.4851 34.7872 175.2378 59 R 4.5190 7.4387 114.2719 55.3898 32.3941 174.0355 60 A 4.6614 9.1594 121.7513 50.9401 19.4499 177.3210 61 A 4.0851 8.1488 121.3916 53.5560 19.4103 177.9957 62 D 4.7566 8.6417 117.3938 54.8092 40.5064 174.6713 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 2 T 8.16 4.49 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 3 T 9.18 4.29 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 4 D 8.83 4.33 0.00 2.71 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 5 A 7.91 3.99 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.27 4.06 0.00 2.27 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 2.35 0.00 7 C 8.25 4.27 0.00 3.08 3.05 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 8 L 7.95 3.79 0.00 1.73 1.74 0.96 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.57 4.34 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.45 4.32 0.00 2.01 1.97 0.00 1.76 0.00 0.00 1.97 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.61 7.81 11 P 0.00 4.49 0.00 2.20 2.08 0.00 3.83 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 12 A 8.49 4.82 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 13 F 8.45 5.00 0.00 3.22 3.16 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 14 D 9.26 5.31 0.00 2.66 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 15 G 8.10 4.08 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 0.00 16 T 8.33 5.86 4.33 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 1.29 0.00 0.00 17 L 8.59 4.52 0.00 0.38 0.89 -0.39 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.13 5.13 0.00 3.67 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 19 N 8.69 4.26 0.00 2.94 3.03 0.00 0.00 6.84 7.68 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 20 V 8.17 4.20 2.41 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 0.74 0.00 0.00 1.22 0.00 0.00 21 W 8.69 5.30 0.00 3.43 3.35 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 0.00 0.00 0.00 0.00 22 K 9.02 5.14 0.00 1.79 1.80 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.53 7.81 23 E 9.48 4.83 0.00 2.28 1.92 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 2.50 2.56 0.00 24 G 8.39 4.15 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 0.00 25 D 8.93 4.61 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 26 S 8.32 4.62 0.00 3.76 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.47 4.97 0.00 1.13 1.35 0.00 2.21 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.06 0.00 28 Y 8.36 5.52 0.00 1.43 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 0.00 0.00 0.00 29 A 7.87 4.47 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.93 5.31 0.00 2.82 2.93 0.00 0.00 6.69 7.45 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 31 F 9.93 4.89 0.00 2.74 2.71 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 32 E 9.10 3.54 0.00 1.91 1.80 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 1.68 1.47 0.00 33 N 8.35 4.30 0.00 2.92 2.93 0.00 0.00 6.76 7.66 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 34 C 8.58 5.48 0.00 3.09 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 35 I 8.95 5.24 2.10 0.00 0.00 1.14 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 0.85 1.16 0.00 0.00 36 Y 9.15 5.05 0.00 2.89 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.84 4.90 0.00 1.81 1.65 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 1.78 1.57 0.00 38 L 7.51 4.02 0.00 0.27 0.76 0.02 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.49 4.37 0.00 3.74 3.76 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 40 G 8.55 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.14 4.18 1.85 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 1.33 0.58 0.92 0.00 0.00 42 G 8.57 4.41 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 0.00 43 I 8.82 4.50 1.88 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 1.15 0.51 0.83 0.00 0.00 44 G 7.48 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 0.00 0.00 0.00 45 Y 8.25 4.48 0.00 2.91 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 46 D 9.46 4.67 0.00 2.93 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.82 4.20 0.00 2.91 2.90 0.00 0.00 7.33 8.06 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 48 D 8.29 4.76 0.00 2.99 3.19 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 49 T 7.96 4.67 4.32 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 1.36 0.00 0.00 50 S 7.95 5.21 0.00 2.92 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 51 W 9.25 5.27 0.00 3.54 3.19 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 52 N 9.81 5.44 0.00 2.93 2.80 0.00 0.00 6.64 7.93 0.00 0.00 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 G 8.12 4.03 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 0.00 0.00 0.00 54 H 7.20 4.99 0.00 2.98 3.12 0.00 5.54 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 55 W 8.39 5.06 0.00 1.98 2.75 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 56 T 9.03 5.15 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 1.23 0.00 0.00 57 P 0.00 4.01 0.00 1.90 1.16 0.00 3.74 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 1.91 2.13 0.00 58 V 8.59 4.44 2.16 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 0.82 0.00 0.00 1.15 0.00 0.00 59 R 7.44 4.52 0.00 1.98 2.03 0.00 2.97 0.00 0.00 3.36 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 60 A 9.16 4.66 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 61 A 8.15 4.09 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 62 D 8.64 4.76 0.00 2.84 2.73 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