NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8406 8.3501 109.7333 44.9759 0.0000 173.3976 3 A 4.2440 7.9011 121.5434 50.5274 19.5202 175.7629 4 Q 4.4235 9.6094 124.2040 54.2539 31.8279 172.7452 5 V 4.5567 8.3567 126.6415 61.5181 33.1788 174.6209 6 S 4.7963 7.9497 123.9574 56.6236 66.4005 173.1837 7 S 5.2846 8.3810 115.2370 57.0765 64.8824 173.9161 8 Q 4.4703 9.0618 121.4064 55.2015 30.2931 176.2124 9 K 4.2224 8.3771 122.8903 54.4378 31.3226 175.4024 10 V 3.5047 8.1218 125.3069 62.5886 31.4455 174.8739 11 G 3.5239 8.0325 118.4616 46.8668 0.0000 172.9054 12 A 4.2089 7.9103 121.6501 51.1445 19.9429 176.8705 13 H 4.5903 8.5528 120.4554 53.9358 30.3944 174.8917 14 E 4.2528 8.3396 124.5921 55.7453 30.8498 176.2889 15 N 4.8926 8.4000 120.1094 53.0710 37.5927 174.8085 16 S 4.8730 7.4999 114.0357 56.8756 67.7194 175.5389 17 N 4.7623 8.6687 118.6102 55.4534 38.8160 177.9238 18 R 4.0186 8.0297 116.1245 58.5996 30.2900 177.3136 19 A 4.1330 7.5578 119.2630 53.3281 18.6309 177.2480 20 Y 4.6379 7.6668 111.5284 57.6674 39.9364 175.1368 21 G 3.9361 8.1059 106.5043 45.5981 0.0000 172.8621 22 G 3.9035 8.5553 108.1816 44.6080 0.0000 174.3195 23 S 4.3477 8.3505 113.1712 60.5677 62.8410 176.4599 24 T 4.1277 7.8991 110.0373 63.2391 68.8904 174.7999 25 I 4.5206 7.8226 115.5452 60.4724 37.9255 174.5030 26 N 5.5075 7.9636 117.3006 52.1530 41.7697 173.2760 27 Y 5.0179 8.7992 117.2683 55.7804 41.7375 174.1489 28 T 5.0591 8.6719 117.2134 62.3117 71.2733 173.8865 29 T 4.7888 8.9358 121.1157 61.9854 72.9875 173.1341 30 I 4.7221 7.9178 124.8095 59.6941 41.0192 174.5602 31 N 4.3401 8.6261 124.6072 52.9761 39.2531 174.6430 32 Y 4.5608 8.1926 118.9516 58.0326 39.4089 175.2152 33 Y 4.8466 7.6295 116.6428 55.7981 40.6316 175.8360 34 R 4.0619 8.7193 123.1921 59.1310 30.8407 176.8154 35 D 4.6916 8.0619 118.5848 53.2852 41.7739 177.4838 36 S 4.2007 8.7661 118.3770 60.8552 63.3019 176.3244 37 A 4.0452 7.9397 123.3560 55.0727 18.2665 178.7382 38 S 4.1225 7.8305 111.1002 60.8661 63.1142 174.8275 39 N 4.4455 7.5327 116.7432 53.0632 38.7102 174.6297 40 A 4.3511 8.2078 123.5298 51.0891 20.2955 176.4159 41 A 4.5022 8.1530 122.0160 51.1247 19.7933 178.0804 42 S 4.1696 8.6589 117.8201 59.6075 63.4104 175.5553 43 K 4.3676 7.9700 116.0822 57.0459 29.5398 176.9379 44 Q 4.4073 7.4336 119.6248 54.4886 27.4232 174.5172 45 D 4.4062 7.4727 119.8470 52.4453 42.8612 177.1533 46 F 4.8945 7.3126 118.4070 56.1801 39.2663 173.8076 47 A 4.9285 8.2566 123.8847 50.8646 21.4864 174.3852 48 Q 4.5094 8.0106 114.9483 55.4488 31.0972 172.9492 49 D 4.5700 8.4248 117.5165 53.4063 41.8614 174.8582 50 P 4.5295 0.0000 0.0000 63.8072 31.4995 178.2372 51 S 4.2539 7.9523 116.9552 60.9850 62.5683 176.7184 52 K 3.7452 7.8083 119.4265 58.8992 32.0872 177.8247 53 F 4.8815 7.9286 117.8225 59.3117 40.3204 177.0440 54 T 4.1671 7.9343 108.1552 64.2484 69.6075 174.2386 55 E 4.9714 8.1369 120.5709 54.4410 30.4782 173.5484 56 P 4.5875 0.0000 0.0000 62.8047 32.1662 177.3887 57 I 4.1936 7.4258 118.8724 61.3433 38.5461 176.4487 58 K 3.9102 8.7208 126.2863 59.3930 32.2480 177.2201 59 D 4.6190 7.7310 123.3568 52.2047 40.1896 176.2209 60 V 3.5697 8.2308 123.4344 63.4031 31.8479 175.3474 61 L 4.8461 8.2533 125.5633 52.8797 44.8348 175.8901 62 I 4.2839 8.0106 122.6822 59.8306 38.3679 177.2953 63 K 4.0059 8.6865 124.1656 60.0805 32.6541 178.4570 64 T 3.9413 7.8928 108.6504 63.9385 69.0871 174.7756 65 A 4.3093 7.4161 123.8370 50.2600 19.3594 175.2470 66 P 4.3263 0.0000 0.0000 63.0488 31.9151 177.0022 67 T 3.8814 8.7277 120.5543 66.3569 68.5634 174.7015 68 L 4.3891 7.7152 122.8605 53.5328 41.6211 176.1818 69 N 4.5602 8.5198 121.5408 53.5787 39.2049 173.8654 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 G 8.35 3.84 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 0.00 0.00 0.00 3 A 7.90 4.24 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 4 Q 9.61 4.42 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.70 0.00 0.00 0.00 0.00 0.00 2.19 2.18 0.00 5 V 8.36 4.56 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.87 0.00 0.00 6 S 7.95 4.80 0.00 2.72 3.54 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 7 S 8.38 5.28 0.00 3.89 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 8 Q 9.06 4.47 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.99 0.00 0.00 0.00 0.00 0.00 2.34 2.55 0.00 9 K 8.38 4.22 0.00 1.71 1.74 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.36 7.81 10 V 8.12 3.50 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 0.44 0.00 0.00 0.84 0.00 0.00 11 G 8.03 3.52 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 0.00 0.00 0.00 0.00 12 A 7.91 4.21 1.22 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 0.00 0.00 0.00 13 H 8.55 4.59 0.00 3.08 2.96 0.00 5.90 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.34 4.25 0.00 1.90 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 15 N 8.40 4.89 0.00 2.79 2.84 0.00 0.00 6.71 7.57 0.00 0.00 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 S 7.50 4.87 0.00 3.87 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 17 N 8.67 4.76 0.00 2.81 2.92 0.00 0.00 6.87 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 18 R 8.03 4.02 0.00 1.81 2.01 0.00 3.29 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 19 A 7.56 4.13 1.01 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 0.00 0.00 0.00 0.00 0.00 20 Y 7.67 4.64 0.00 3.12 3.01 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 0.00 0.00 0.00 21 G 8.11 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 0.00 0.00 0.00 22 G 8.56 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 23 S 8.35 4.35 0.00 3.91 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 24 T 7.90 4.13 4.34 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 1.22 0.00 0.00 25 I 7.82 4.52 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.28 0.92 0.00 0.00 26 N 7.96 5.51 0.00 2.89 2.75 0.00 0.00 6.61 7.55 0.00 0.00 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 Y 8.80 5.02 0.00 2.88 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 28 T 8.67 5.06 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 1.19 0.00 0.00 29 T 8.94 4.79 4.20 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 0.00 0.00 1.19 0.00 0.00 30 I 7.92 4.72 1.64 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 1.29 0.52 0.79 0.00 0.00 31 N 8.63 4.34 0.00 2.63 2.71 0.00 0.00 7.01 7.46 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 32 Y 8.19 4.56 0.00 2.43 2.52 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 0.00 33 Y 7.63 4.85 0.00 2.97 2.87 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 34 R 8.72 4.06 0.00 1.82 2.02 0.00 3.25 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 35 D 8.06 4.69 0.00 2.77 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 36 S 8.77 4.20 0.00 4.01 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.94 4.05 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 38 S 7.83 4.12 0.00 4.01 3.41 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 39 N 7.53 4.45 0.00 2.84 2.76 0.00 0.00 6.93 8.22 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 40 A 8.21 4.35 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 41 A 8.15 4.50 1.22 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 0.00 0.00 0.00 42 S 8.66 4.17 0.00 4.02 4.02 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 43 K 7.97 4.37 0.00 1.92 1.96 0.00 1.74 0.00 0.00 2.61 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.55 7.81 44 Q 7.43 4.41 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.44 6.66 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 45 D 7.47 4.41 0.00 2.59 2.34 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 46 F 7.31 4.89 0.00 3.06 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.26 4.93 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 48 Q 8.01 4.51 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.87 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 49 D 8.42 4.57 0.00 2.77 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.53 0.00 2.29 2.20 0.00 3.72 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 51 S 7.95 4.25 0.00 3.81 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 52 K 7.81 3.75 0.00 1.45 1.64 0.00 0.84 0.00 0.00 1.17 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.71 0.21 7.81 53 F 7.93 4.88 0.00 3.10 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 54 T 7.93 4.17 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 1.33 0.00 0.00 55 E 8.14 4.97 0.00 1.90 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 2.25 2.25 0.00 56 P 0.00 4.59 0.00 2.17 2.32 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 57 I 7.43 4.19 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.84 0.96 0.00 0.00 58 K 8.72 3.91 0.00 1.71 1.82 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.45 7.81 59 D 7.73 4.62 0.00 2.70 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.23 3.57 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 0.79 0.00 0.00 0.92 0.00 0.00 61 L 8.25 4.85 0.00 1.62 1.51 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 62 I 8.01 4.28 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.07 0.94 0.00 0.00 63 K 8.69 4.01 0.00 1.86 1.95 0.00 1.58 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.44 7.81 64 T 7.89 3.94 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 65 A 7.42 4.31 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 66 P 0.00 4.33 0.00 2.05 2.02 0.00 3.69 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 2.03 2.11 0.00 67 T 8.73 3.88 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 68 L 7.72 4.39 0.00 1.63 1.63 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.52 4.56 0.00 2.61 2.62 0.00 0.00 7.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00