NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2528 8.2549 119.7055 56.1229 32.1973 175.5991 2 R 4.0825 7.7614 116.9042 54.4225 28.6368 172.2228 3 S 4.5995 8.1653 117.0604 58.9983 70.0800 175.6303 4 R 4.2343 7.6978 120.6244 54.5140 27.9534 174.3910 5 K 4.1894 7.3461 127.0382 57.3967 36.7637 176.0562 6 N 4.3326 8.4972 115.2364 54.1410 38.5368 171.8481 7 G 3.8007 7.4300 111.4629 44.8703 0.0000 173.2581 8 I 3.9386 8.6097 127.5534 63.8834 37.4428 178.6743 9 G 4.2410 8.0465 105.7204 45.4282 0.0000 174.1862 10 Y 3.9837 8.5634 118.5527 60.6749 38.0146 177.7091 11 A 4.0454 8.0390 120.8417 55.3198 18.9083 179.2737 12 I 3.8374 8.0356 118.0228 64.8814 37.2308 178.8125 13 G 3.7775 8.0608 106.3394 47.6772 0.0000 174.9432 14 Y 3.9305 7.9803 121.1668 60.8582 38.8523 178.3987 15 A 4.1201 8.1423 121.0890 54.9867 18.0084 179.6204 16 F 4.0719 8.2233 116.3864 60.7443 39.0909 178.0624 17 G 3.6944 8.4921 105.1875 47.5921 0.0000 175.6638 18 A 4.0759 7.5104 122.4798 55.0251 18.1981 179.7132 19 V 3.5695 7.8020 116.7340 66.1627 31.2861 178.2570 20 E 3.9689 7.9137 117.1375 59.4597 29.3687 179.2951 21 R 3.9108 7.6741 116.3724 58.9249 29.6393 179.0244 22 A 3.9380 7.8506 120.4143 55.3152 18.2433 179.8046 23 V 3.8924 7.1150 114.7855 65.2507 31.6549 177.5362 24 L 4.1935 8.0116 120.3987 58.4691 41.9528 178.8974 25 G 4.0183 7.8662 104.0653 45.4343 0.0000 173.8130 26 G 3.9433 7.4318 115.6967 42.4577 0.0000 173.2941 27 S 4.0870 8.6899 122.2410 58.9625 63.1371 176.2291 28 R 4.2438 8.3854 125.3280 53.9998 28.2354 174.8163 29 D 4.3996 7.4332 117.9171 53.8488 43.9439 175.1505 30 Y 4.3627 8.0506 120.5027 57.7234 41.1056 172.5424 31 N 4.0335 8.9347 121.9506 53.7632 41.6801 174.1934 32 K 4.0838 8.8652 124.5314 57.0286 32.3517 175.0455 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 1 R 8.25 4.25 0.00 1.81 2.05 0.00 3.32 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 2 R 7.76 4.08 0.00 1.88 1.90 0.00 3.24 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 3 S 8.17 4.60 0.00 3.76 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 4 R 7.70 4.23 0.00 1.75 1.82 0.00 3.33 0.00 0.00 3.12 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 5 K 7.35 4.19 0.00 1.71 1.64 0.00 1.74 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.24 1.26 7.81 6 N 8.50 4.33 0.00 2.72 2.88 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 7 G 7.43 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 0.00 0.00 0.00 8 I 8.61 3.94 1.98 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.51 0.96 0.00 0.00 9 G 8.05 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 0.00 0.00 0.00 0.00 10 Y 8.56 3.98 0.00 3.06 3.08 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 11 A 8.04 4.05 1.36 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 0.00 0.00 12 I 8.04 3.84 2.01 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.14 1.16 0.00 0.00 13 G 8.06 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.98 3.93 0.00 3.36 3.15 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 15 A 8.14 4.12 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 16 F 8.22 4.07 0.00 3.42 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 17 G 8.49 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 18 A 7.51 4.08 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 19 V 7.80 3.57 2.23 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 1.00 0.00 0.00 0.84 0.00 0.00 20 E 7.91 3.97 0.00 2.11 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 2.44 2.67 0.00 21 R 7.67 3.91 0.00 2.04 1.97 0.00 3.18 0.00 0.00 3.13 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 22 A 7.85 3.94 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.11 3.89 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 0.84 0.00 0.00 1.01 0.00 0.00 24 L 8.01 4.19 0.00 1.86 1.69 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.87 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 0.00 0.00 0.00 26 G 7.43 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 27 S 8.69 4.09 0.00 3.91 3.88 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 28 R 8.39 4.24 0.00 1.81 1.91 0.00 3.43 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 29 D 7.43 4.40 0.00 2.62 2.56 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 0.00 0.00 0.00 0.00 30 Y 8.05 4.36 0.00 2.82 2.83 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 31 N 8.93 4.03 0.00 2.65 2.62 0.00 0.00 7.33 6.68 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 32 K 8.87 4.08 0.00 1.86 1.69 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.37 7.81