NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.3130 8.2493 123.5799 51.0718 19.1217 176.5722 7 P 4.3735 0.0000 0.0000 61.6786 32.3659 175.1767 8 D 4.7916 8.7661 120.6260 52.3881 43.1556 177.2160 9 F 3.7880 8.9878 119.1362 62.5670 39.1271 177.8029 10 H 4.4259 8.1484 115.0331 58.7253 28.3859 177.4299 11 D 4.2829 8.6276 120.4307 57.2548 40.7543 178.7098 12 K 3.7408 7.4346 117.3852 59.0911 32.3216 178.3241 13 Y 4.7280 7.7017 114.7612 57.3220 38.9183 177.8974 14 G 4.0383 7.9993 108.3608 48.2995 0.0000 175.4221 15 N 4.3724 8.1890 118.6028 55.7415 38.6429 177.3230 16 A 3.9967 7.9332 121.6604 55.0000 18.5870 179.5048 17 V 3.5098 8.0034 116.8584 66.1309 31.5637 177.6532 18 L 3.9405 8.0130 119.6808 58.3105 41.9195 178.9543 19 A 3.9900 7.9774 120.2056 55.4991 18.3759 179.8910 20 S 4.2701 8.7688 114.2206 61.4340 62.8292 177.1787 21 G 3.6939 8.6883 108.7024 47.9697 0.0000 175.5571 22 A 4.0844 8.3341 124.3445 54.9250 18.4549 179.9671 23 T 3.9193 7.8957 114.0252 66.7116 68.6891 176.9801 24 F 4.2318 8.9955 122.9927 61.3218 39.3860 176.4747 25 C 3.9911 8.8854 118.6473 62.7602 31.3540 175.9192 26 V 3.6483 7.7779 119.0963 65.7086 31.0761 177.8006 27 A 4.0155 7.8990 120.5686 55.2679 18.2515 180.0813 28 V 3.5594 7.7092 117.6774 64.5441 31.3982 178.7134 29 W 3.9278 8.3432 119.7311 59.3248 28.8987 178.4881 30 V 3.6562 8.1574 118.4286 66.3008 30.8546 177.3934 31 Y 4.0417 8.0659 119.0040 60.9906 38.4586 177.7085 32 M 3.8103 8.0935 117.5596 58.6423 32.3730 177.7206 33 A 4.6482 8.2154 120.2994 54.6243 18.7876 178.7404 34 T 4.4430 8.0705 106.0993 62.0224 70.1445 175.3347 35 Q 4.3772 7.8445 118.7235 55.5674 29.6932 175.8423 36 I 4.2264 7.3481 109.9135 59.9726 38.0469 175.4572 37 G 3.7928 8.1488 107.4970 46.8697 0.0000 174.3114 38 I 3.5202 7.6120 119.4743 60.6422 37.6301 175.6520 39 E 4.3004 8.1460 125.1873 54.7288 29.3344 175.7021 40 W 4.3405 8.7514 126.7192 56.8486 30.3519 175.9941 41 N 4.1226 8.2451 116.5293 53.9075 36.8324 170.9846 42 P 4.5622 0.0000 0.0000 61.9610 32.8902 176.5808 43 S 4.1927 8.3922 113.3048 58.1636 62.7740 172.6660 44 P 4.3507 0.0000 0.0000 64.6140 31.5654 176.7109 45 V 3.6577 7.5360 118.4009 64.4437 31.4306 176.2311 46 G 3.9991 9.0114 114.2549 45.8813 0.0000 173.6859 47 R 4.4795 8.3581 115.0412 55.4331 31.4601 175.9476 48 V 4.2523 7.6356 117.5874 61.0699 33.1692 174.7652 49 T 4.3104 8.3424 123.9101 61.7285 68.6702 173.0152 50 P 4.3675 0.0000 0.0000 62.4331 31.9772 175.8362 51 K 4.6939 8.2723 122.8401 54.0317 34.8121 175.3976 52 E 4.1786 8.7109 123.5332 56.2429 29.9091 176.9090 53 W 4.7003 8.1915 119.3739 56.6541 30.5197 175.6542 54 R 3.8849 6.5651 118.8770 55.8752 29.0510 175.9389 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 A 8.25 4.31 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 7 P 0.00 4.37 0.00 2.16 2.00 0.00 3.72 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 1.90 1.95 0.00 8 D 8.77 4.79 0.00 2.94 2.91 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 9 F 8.99 3.79 0.00 3.21 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 10 H 8.15 4.43 0.00 3.37 3.40 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.63 4.28 0.00 2.57 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 12 K 7.43 3.74 0.00 0.79 0.74 0.00 1.05 0.00 0.00 1.36 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.13 1.32 7.81 13 Y 7.70 4.73 0.00 2.47 2.72 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 14 G 8.00 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 0.00 0.00 0.00 15 N 8.19 4.37 0.00 2.75 2.89 0.00 0.00 6.91 7.79 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 16 A 7.93 4.00 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.00 3.51 2.32 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 1.06 0.00 0.00 1.12 0.00 0.00 18 L 8.01 3.94 0.00 1.95 1.88 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.98 3.99 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 20 S 8.77 4.27 0.00 3.90 3.95 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 G 8.69 3.69 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 0.00 0.00 0.00 22 A 8.33 4.08 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 0.00 0.00 23 T 7.90 3.92 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 24 F 9.00 4.23 0.00 3.11 3.25 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.89 3.99 0.00 3.20 3.10 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 0.00 0.00 0.00 0.00 26 V 7.78 3.65 2.11 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 1.06 0.00 0.00 0.95 0.00 0.00 27 A 7.90 4.02 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.71 3.56 1.52 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 0.53 0.00 0.00 0.74 0.00 0.00 29 W 8.34 3.93 0.00 3.48 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 30 V 8.16 3.66 2.40 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 1.05 0.00 0.00 1.00 0.00 0.00 31 Y 8.07 4.04 0.00 3.07 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 32 M 8.09 3.81 0.00 1.99 1.92 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 33 A 8.22 4.65 1.52 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 34 T 8.07 4.44 4.25 0.00 0.00 0.00 0.00 0.00 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 35 Q 7.84 4.38 0.00 1.06 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.03 0.00 0.00 0.00 0.00 0.00 2.16 2.47 0.00 36 I 7.35 4.23 1.76 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.54 0.58 0.00 0.00 37 G 8.15 3.79 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 0.00 0.00 0.00 38 I 7.61 3.52 1.56 0.00 0.00 0.60 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 0.38 -0.27 0.00 0.00 39 E 8.15 4.30 0.00 1.81 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 0.00 2.19 2.34 0.00 40 W 8.75 4.34 0.00 3.33 3.22 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 41 N 8.25 4.12 0.00 2.83 2.85 0.00 0.00 7.19 7.73 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 42 P 0.00 4.56 0.00 2.24 2.09 0.00 3.90 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 2.03 2.01 0.00 43 S 8.39 4.19 0.00 3.85 3.82 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 0.00 0.00 0.00 44 P 0.00 4.35 0.00 2.22 2.08 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 45 V 7.54 3.66 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 0.73 0.00 0.00 0.93 0.00 0.00 46 G 9.01 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 0.00 0.00 0.00 47 R 8.36 4.48 0.00 1.84 2.01 0.00 3.05 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 48 V 7.64 4.25 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 0.86 0.00 0.00 0.94 0.00 0.00 49 T 8.34 4.31 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 1.23 0.00 0.00 50 P 0.00 4.37 0.00 2.09 2.04 0.00 3.65 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 2.06 2.10 0.00 51 K 8.27 4.69 0.00 1.72 1.71 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.45 7.81 52 E 8.71 4.18 0.00 1.98 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.21 0.00 53 W 8.19 4.70 0.00 3.54 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 54 R 6.57 3.88 0.00 1.33 0.66 0.00 2.38 0.00 0.00 2.86 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.04 0.00