NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 M 4.4608 8.2893 120.3264 54.2820 32.2566 175.0034 8 P 4.3363 0.0000 0.0000 60.7196 32.0862 174.4520 9 Q 4.7379 8.5378 116.7280 54.3149 32.3920 175.6158 10 F 4.8399 8.5601 120.4433 56.4328 42.6257 173.5383 11 N 4.7202 7.3988 122.9387 51.3315 40.0021 174.3654 12 L 4.2087 8.1424 123.5028 53.3828 42.6590 176.2786 13 R 4.4082 8.4025 123.8955 54.3084 30.3681 174.4623 14 W 5.3139 8.2575 123.8727 53.1210 33.1310 174.5238 15 P 4.4457 0.0000 0.0000 62.8304 32.5820 177.2114 16 R 3.9249 8.7189 120.6610 60.0484 29.9433 178.4790 17 E 4.1076 8.3308 117.5818 59.4450 29.2613 179.6211 18 V 3.5868 7.6976 117.6055 65.8517 31.8484 177.7651 19 L 4.2154 8.0211 118.7339 58.2400 41.3679 179.1928 20 D 4.4267 8.7181 118.9245 57.3193 40.6345 178.8607 21 L 3.9631 7.7214 120.2723 58.2528 42.1641 178.8791 22 V 3.6308 8.1379 118.5021 66.4911 31.3893 178.1818 23 R 3.9646 8.2028 117.4463 58.9386 29.8380 179.0941 24 K 3.8620 7.6717 119.4825 59.5732 32.0908 179.2421 25 V 3.4731 7.7504 117.1652 65.5650 31.5611 177.6572 26 A 3.5887 7.9762 121.1373 55.0944 18.2213 179.5200 27 E 3.9351 8.1019 116.5413 59.2664 29.2559 179.4818 28 E 4.0849 7.8192 117.5430 58.3011 29.5678 177.6748 29 N 4.9455 8.1393 116.0393 52.3058 39.1335 175.8275 30 G 4.0300 7.3890 106.3502 46.5791 0.0000 174.0382 31 M 4.5828 7.4983 119.7326 53.7595 34.5375 175.6421 32 S 4.8756 8.1368 113.0573 56.5932 66.9389 174.6151 33 V 3.6972 8.4659 122.7902 66.7605 30.9827 178.0150 34 N 4.3458 8.1421 115.8541 56.7976 38.8661 176.9798 35 S 4.2016 8.1145 116.4045 61.5394 62.9911 175.8069 36 Y 4.1928 8.6860 122.5628 61.1080 38.6034 178.5440 37 I 3.5827 8.1103 120.4707 64.0599 36.9972 177.9575 38 Y 4.0391 7.7277 120.8195 60.8328 38.6418 177.8510 39 Q 3.9187 8.3021 119.0398 58.8959 28.6159 178.7025 40 L 3.7462 7.3433 119.9224 58.1255 42.4453 178.9882 41 V 3.5170 7.6611 117.9864 66.0252 31.0067 177.4026 42 M 4.0064 7.9618 118.5078 58.6511 31.9848 177.5466 43 E 3.9965 8.4524 116.4978 57.6296 29.9804 178.4269 44 S 3.9461 7.4645 115.1288 61.5739 62.8970 176.0962 45 F 4.4176 7.4652 119.8178 58.7395 38.7280 175.4120 46 K 4.2298 8.0858 122.8113 56.8337 32.5015 175.7943 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 7 M 8.29 4.46 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 8 P 0.00 4.34 0.00 2.30 2.08 0.00 3.72 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 2.02 2.04 0.00 9 Q 8.54 4.74 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 10 F 8.56 4.84 0.00 2.92 2.89 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 0.00 0.00 0.00 11 N 7.40 4.72 0.00 2.34 2.50 0.00 0.00 6.95 7.85 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 12 L 8.14 4.21 0.00 1.01 0.24 0.18 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.40 4.41 0.00 1.68 1.90 0.00 3.18 0.00 0.00 3.17 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.69 0.00 14 W 8.26 5.31 0.00 3.37 2.89 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 0.00 0.00 0.00 15 P 0.00 4.45 0.00 2.63 2.21 0.00 3.78 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 16 R 8.72 3.92 0.00 1.93 2.01 0.00 3.22 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.77 0.00 17 E 8.33 4.11 0.00 2.09 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 2.41 2.46 0.00 18 V 7.70 3.59 2.27 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 0.98 0.00 0.00 0.84 0.00 0.00 19 L 8.02 4.22 0.00 1.98 1.81 1.08 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.72 4.43 0.00 2.86 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 21 L 7.72 3.96 0.00 1.88 1.85 0.91 1.30 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 22 V 8.14 3.63 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 1.23 0.00 0.00 23 R 8.20 3.96 0.00 2.09 2.09 0.00 3.21 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 24 K 7.67 3.86 0.00 1.83 1.87 0.00 1.51 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.45 7.81 25 V 7.75 3.47 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.87 0.00 0.00 26 A 7.98 3.59 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 27 E 8.10 3.94 0.00 2.14 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 0.00 2.32 2.39 0.00 28 E 7.82 4.08 0.00 2.09 1.97 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 2.31 2.55 0.00 29 N 8.14 4.95 0.00 2.94 2.86 0.00 0.00 6.77 7.29 0.00 0.00 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 G 7.39 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 31 M 7.50 4.58 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.53 0.00 32 S 8.14 4.88 0.00 4.03 3.96 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 0.00 0.00 0.00 0.00 33 V 8.47 3.70 2.13 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 1.12 0.00 0.00 0.97 0.00 0.00 34 N 8.14 4.35 0.00 2.88 2.81 0.00 0.00 7.21 7.89 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 35 S 8.11 4.20 0.00 4.03 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 36 Y 8.69 4.19 0.00 3.06 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 37 I 8.11 3.58 1.94 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.07 0.99 0.00 0.00 38 Y 7.73 4.04 0.00 3.14 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 39 Q 8.30 3.92 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.56 0.00 0.00 0.00 0.00 0.00 2.64 2.61 0.00 40 L 7.34 3.75 0.00 1.28 1.63 0.80 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.66 3.52 2.06 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 0.87 0.00 0.00 0.91 0.00 0.00 42 M 7.96 4.01 0.00 2.05 1.69 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 43 E 8.45 4.00 0.00 2.19 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 0.00 2.43 2.26 0.00 44 S 7.46 3.95 0.00 3.82 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 45 F 7.47 4.42 0.00 2.90 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 46 K 8.09 4.23 0.00 1.82 1.77 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.35 7.81