NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4586 0.0000 0.0000 61.4722 31.5964 174.7583 3 L 3.6102 8.6273 122.1386 54.8683 42.1023 176.5897 4 G 3.7161 8.5038 113.0973 47.5269 0.0000 173.8984 5 S 4.4429 7.7289 113.3099 57.9492 64.1691 174.5426 6 Q 4.4008 8.1041 120.3825 54.0511 27.7925 173.1993 7 L 4.4482 7.6753 122.4596 53.6412 44.2239 174.8981 8 V 4.8124 8.3118 125.3157 61.2183 34.9351 174.4098 9 V 4.9621 8.7738 119.2699 59.5643 36.4957 174.1717 10 R 4.9306 8.6754 122.3636 54.1091 32.8697 174.7605 11 A 4.3501 8.7281 129.0150 52.3730 18.7971 178.1220 12 K 3.9364 9.5964 123.0616 57.4686 33.0704 176.4958 13 F 5.0478 7.9719 116.4063 55.6821 43.4942 173.7760 14 N 5.0172 8.9481 117.2100 53.2035 39.6984 174.9615 15 F 4.7863 9.1454 124.3072 56.6208 42.6894 173.1628 16 Q 4.4778 7.9231 125.5055 53.7227 29.7630 175.7800 17 Q 3.7367 8.0426 123.2819 56.8302 28.8849 176.8902 18 T 4.3142 9.3559 110.4779 62.1823 69.7829 173.9911 19 N 5.0797 7.6948 118.9433 51.5558 42.7704 175.0092 20 E 4.0818 8.7682 117.7865 58.9334 30.1003 177.2661 21 D 4.9455 8.1603 118.5488 53.1567 39.7716 175.0421 22 E 5.6738 7.8788 118.2147 55.1045 32.7995 175.0558 23 L 4.7154 9.4803 124.6847 54.4913 43.0283 176.2463 24 S 4.9523 8.7874 122.4035 57.8776 64.7470 173.0867 25 F 4.9729 8.4691 116.3280 56.5853 41.5583 172.7925 26 S 5.3448 9.8695 115.7945 56.1547 65.8724 174.0890 27 K 4.1184 8.8971 123.8689 58.6111 32.2820 176.8487 28 G 4.0287 8.8331 114.5879 45.2968 0.0000 173.7480 29 D 4.4717 8.0493 119.6315 54.4331 42.0759 175.5043 30 V 4.6264 8.1294 121.4180 61.4120 33.2731 174.8626 31 I 4.6510 8.7607 128.3632 59.7691 40.4938 174.2793 32 H 4.7923 8.9351 124.2405 54.5340 29.8094 174.9234 33 V 4.3103 8.6394 125.5285 63.2942 31.5657 175.6485 34 T 4.5152 8.9080 117.2381 62.3578 71.5732 174.4190 35 R 4.8107 7.5213 119.2259 54.1285 34.8776 174.6491 36 V 4.1635 8.2972 121.7703 61.1127 32.3936 173.9601 37 E 4.9007 8.6289 129.2095 53.8763 32.9366 175.0580 38 E 4.2661 8.8999 126.0680 57.1485 30.3190 175.7384 39 G 3.6494 10.0277 112.9938 45.2131 0.0000 175.0695 40 G 3.9288 8.3416 109.0243 44.4411 0.0000 172.5124 41 W 4.8299 8.2393 120.0396 54.6970 31.6046 175.1457 42 W 5.2515 8.2938 124.2624 54.9924 32.1560 174.3252 43 E 4.3061 8.2334 122.3094 54.7155 31.8797 174.9231 44 G 4.6145 8.8593 111.2783 46.1477 0.0000 171.5098 45 T 5.4420 8.8189 115.7077 62.2711 72.8917 173.6436 46 H 4.6690 9.5969 122.4514 55.7443 33.6770 173.3722 47 N 4.1723 9.6161 126.5385 54.7462 37.0570 174.6140 48 G 3.9447 8.2293 102.4413 45.6780 0.0000 173.1851 49 R 4.8168 7.7851 118.8408 54.5813 32.9526 175.3020 50 T 5.1223 8.3426 118.2011 61.6871 72.2913 173.3473 51 G 4.1264 8.3519 111.4210 45.9446 0.0000 172.1912 52 W 5.2599 8.8207 120.0804 56.6675 30.7990 175.9414 53 F 4.8890 8.9675 116.1470 55.1215 41.4926 171.7518 54 P 3.2334 0.0000 0.0000 61.5795 30.9639 178.0251 55 S 3.4457 8.4775 119.5247 60.2710 62.8006 175.2818 56 N 4.6390 7.6799 116.7032 53.4229 37.4165 174.8870 57 Y 4.8279 8.0641 116.6646 58.5946 38.7160 175.1058 58 V 4.8966 7.3031 111.5950 59.4249 35.9673 175.1161 59 R 4.6505 8.5042 120.5049 54.0879 33.1133 175.3456 60 E 4.4271 9.0677 123.6580 56.9620 30.3135 177.1598 61 I 4.0776 8.7507 123.9588 61.4937 36.9557 175.7403 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 P 0.00 4.46 0.00 2.05 2.10 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.12 0.00 3 L 8.63 3.61 0.00 1.61 1.57 0.69 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 4 G 8.50 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.73 4.44 0.00 3.95 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 Q 8.10 4.40 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.85 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 7 L 7.68 4.45 0.00 1.67 1.42 0.92 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.31 4.81 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 0.71 0.00 0.00 0.63 0.00 0.00 9 V 8.77 4.96 2.10 0.00 0.00 0.00 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 0.90 0.00 0.00 10 R 8.68 4.93 0.00 1.76 1.66 0.00 3.04 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.72 0.00 11 A 8.73 4.35 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.60 3.94 0.00 1.20 1.00 0.00 1.50 0.00 0.00 1.57 0.00 0.00 2.69 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.27 1.34 7.81 13 F 7.97 5.05 0.00 2.62 2.79 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 0.00 0.00 0.00 0.00 14 N 8.95 5.02 0.00 2.70 2.80 0.00 0.00 6.57 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 15 F 9.15 4.79 0.00 2.57 1.45 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 0.00 0.00 0.00 0.00 16 Q 7.92 4.48 0.00 1.66 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.66 0.00 0.00 0.00 0.00 0.00 2.19 2.27 0.00 17 Q 8.04 3.74 0.00 2.42 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 18 T 9.36 4.31 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 1.35 0.00 0.00 19 N 7.69 5.08 0.00 2.85 2.77 0.00 0.00 6.88 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 20 E 8.77 4.08 0.00 2.09 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 2.29 2.37 0.00 21 D 8.16 4.95 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.88 5.67 0.00 2.23 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 2.68 2.40 0.00 23 L 9.48 4.72 0.00 2.19 2.04 1.07 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.79 4.95 0.00 3.83 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 25 F 8.47 4.97 0.00 3.15 3.14 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 26 S 9.87 5.34 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 27 K 8.90 4.12 0.00 1.78 1.78 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.44 7.81 28 G 8.83 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 29 D 8.05 4.47 0.00 2.52 2.24 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 30 V 8.13 4.63 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 0.80 0.00 0.00 0.90 0.00 0.00 31 I 8.76 4.65 1.49 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.07 0.75 0.00 0.00 32 H 8.94 4.79 0.00 3.14 3.26 0.00 5.81 0.00 0.00 0.00 0.00 6.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.64 4.31 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 0.62 0.00 0.00 1.20 0.00 0.00 34 T 8.91 4.52 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 35 R 7.52 4.81 0.00 1.35 1.70 0.00 3.22 0.00 0.00 3.49 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 36 V 8.30 4.16 1.75 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 0.27 0.00 0.00 0.02 0.00 0.00 37 E 8.63 4.90 0.00 2.50 1.98 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 2.24 2.33 0.00 38 E 8.90 4.27 0.00 2.01 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 39 G 10.03 3.65 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 40 G 8.34 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 W 8.24 4.83 0.00 3.31 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.29 5.25 0.00 2.15 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 43 E 8.23 4.31 0.00 1.16 1.12 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 1.80 1.47 0.00 44 G 8.86 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.82 5.44 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 1.28 0.00 0.00 46 H 9.60 4.67 0.00 3.18 3.17 0.00 5.93 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 N 9.62 4.17 0.00 2.57 2.69 0.00 0.00 7.27 7.98 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 48 G 8.23 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 49 R 7.79 4.82 0.00 1.95 1.89 0.00 3.12 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 50 T 8.34 5.12 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 1.26 0.00 0.00 51 G 8.35 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.82 5.26 0.00 3.65 3.70 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 0.00 0.00 0.00 53 F 8.97 4.89 0.00 3.03 3.32 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 54 P 0.00 3.23 0.00 1.26 1.00 0.00 2.52 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 55 S 8.48 3.45 0.00 2.72 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 56 N 7.68 4.64 0.00 2.85 2.88 0.00 0.00 5.99 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 57 Y 8.06 4.83 0.00 3.28 3.36 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 58 V 7.30 4.90 1.96 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 0.32 0.00 0.00 0.93 0.00 0.00 59 R 8.50 4.65 0.00 1.63 1.76 0.00 3.27 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.64 0.00 60 E 9.07 4.43 0.00 1.88 1.95 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 2.46 2.65 0.00 61 I 8.75 4.08 1.97 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.48 0.89 0.00 0.00