NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 Q 4.1165 8.3449 121.7049 56.7551 30.2003 172.9179 9 E 3.4872 8.7646 128.8342 54.8018 29.3248 172.8823 10 P 4.3963 0.0000 0.0000 66.0252 31.7530 178.2109 11 V 3.1208 7.3157 107.3534 62.9273 28.1386 173.9223 12 S 4.1858 6.8883 118.8852 56.1172 64.0468 171.0347 13 Y 3.9105 7.6551 125.4314 57.3540 38.0384 167.5152 14 P 4.7549 0.0000 0.0000 61.4269 33.2858 176.1072 15 I 3.6081 8.0617 121.1909 64.6726 37.2679 177.9155 16 F 4.0376 7.1757 120.7778 56.0220 37.6603 177.8394 17 T 4.3285 7.4721 116.1167 61.4088 69.8201 174.7325 18 V 4.2587 8.3728 116.5026 64.2631 32.8626 177.6697 19 R 3.9256 8.1032 119.9445 58.1769 29.4901 177.7767 20 W 4.4354 7.6235 127.1475 60.8582 30.7745 177.6246 21 V 3.2312 8.1589 117.4939 65.8078 30.5941 177.2905 22 A 4.0107 8.0793 119.8737 55.6643 18.0259 179.4916 23 V 3.5872 8.0148 114.9733 63.7413 31.8459 177.0883 24 H 4.3949 8.5686 118.1111 57.8106 29.0812 176.8142 25 T 4.0191 7.2335 108.3805 62.9903 68.8777 174.8570 26 L 4.4009 7.6909 120.1560 54.5945 42.1640 177.1033 27 A 4.2284 7.1159 121.4875 52.5482 18.7864 179.2941 28 V 3.4963 7.4900 114.0351 65.3345 31.9720 176.8026 29 P 4.4288 0.0000 0.0000 66.2104 31.2432 178.4077 30 T 3.8220 7.6300 114.0606 67.0155 68.2908 176.3636 31 I 3.9302 7.7440 120.7244 63.8863 37.0517 177.8101 32 F 3.8688 8.6585 121.3682 60.3569 39.0667 176.8500 33 F 4.1592 8.5051 117.3651 59.9574 39.2764 177.7352 34 L 4.3085 7.9817 115.7607 56.4406 41.3975 178.6192 35 G 3.7808 7.6739 104.8888 46.7508 0.0000 175.3752 36 A 4.0578 7.6063 123.1311 54.1316 18.1702 179.7837 37 I 3.5315 8.5618 117.6003 63.9898 37.2386 178.4329 38 A 3.9149 7.9232 121.0691 55.0729 18.3834 179.2085 39 A 3.6499 7.9739 118.8773 55.0446 18.2299 179.6477 40 M 3.9226 7.5169 117.2588 58.3151 31.8507 178.4171 41 Q 4.1386 8.2716 117.7623 58.7928 28.9671 178.4210 42 F 4.8342 7.7451 116.0781 56.4412 39.2345 175.6699 43 I 4.0275 7.8669 121.5854 60.7665 36.5576 176.0327 44 Q 4.3441 8.3661 124.7383 54.8501 29.9587 176.3167 45 R 4.1264 8.3000 118.0908 56.7313 30.1522 175.9164 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 8 Q 8.34 4.12 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.10 0.00 0.00 0.00 0.00 0.00 2.18 2.35 0.00 9 E 8.76 3.49 0.00 2.11 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 2.16 2.33 0.00 10 P 0.00 4.40 0.00 2.01 2.03 0.00 3.72 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 11 V 7.32 3.12 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 0.68 0.00 0.00 0.94 0.00 0.00 12 S 6.89 4.19 0.00 3.93 3.75 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 13 Y 7.66 3.91 0.00 3.16 2.92 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 14 P 0.00 4.75 0.00 2.16 2.04 0.00 4.09 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 15 I 8.06 3.61 1.27 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.21 0.43 0.00 0.00 16 F 7.18 4.04 0.00 2.81 2.68 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 0.00 0.00 0.00 0.00 17 T 7.47 4.33 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 18 V 8.37 4.26 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 0.95 0.00 0.00 0.99 0.00 0.00 19 R 8.10 3.93 0.00 1.96 2.08 0.00 3.25 0.00 0.00 3.31 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.75 0.00 20 W 7.62 4.44 0.00 3.31 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.16 3.23 2.19 0.00 0.00 0.00 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 22 A 8.08 4.01 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 8.01 3.59 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 0.99 0.00 0.00 0.96 0.00 0.00 24 H 8.57 4.39 0.00 2.87 2.92 0.00 5.81 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 T 7.23 4.02 4.16 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 1.16 0.00 0.00 26 L 7.69 4.40 0.00 1.58 1.66 0.88 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.12 4.23 1.25 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 0.00 0.00 28 V 7.49 3.50 2.04 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 1.21 0.00 0.00 0.84 0.00 0.00 29 P 0.00 4.43 0.00 2.13 2.10 0.00 3.58 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.19 0.00 30 T 7.63 3.82 4.41 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 1.20 0.00 0.00 31 I 7.74 3.93 2.05 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.07 0.88 0.00 0.00 32 F 8.66 3.87 0.00 3.43 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.51 4.16 0.00 3.22 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 34 L 7.98 4.31 0.00 1.77 1.75 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 35 G 7.67 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 36 A 7.61 4.06 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.56 3.53 1.92 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.07 0.95 0.00 0.00 38 A 7.92 3.91 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 39 A 7.97 3.65 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 40 M 7.52 3.92 0.00 2.15 2.31 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.57 0.00 41 Q 8.27 4.14 0.00 2.38 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.99 0.00 0.00 0.00 0.00 0.00 2.73 2.69 0.00 42 F 7.75 4.83 0.00 2.87 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 43 I 7.87 4.03 1.97 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.64 0.93 0.00 0.00 44 Q 8.37 4.34 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.01 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 45 R 8.30 4.13 0.00 1.77 1.80 0.00 3.27 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00