NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 G 3.9360 8.3549 109.7356 45.2372 0.0000 174.4762 13 Q 4.0194 7.9032 118.4912 54.9562 29.3466 170.0358 14 V 4.7187 8.8939 121.0277 61.2383 35.5305 174.2923 15 K 4.7862 9.1500 126.4241 54.5586 35.9276 175.0061 16 V 4.8555 8.1860 122.3653 61.3080 34.0661 174.3796 17 F 5.2353 9.1922 125.6102 55.5976 43.5949 173.7064 18 R 5.0284 8.9144 120.2829 54.2715 33.2929 174.4507 19 A 4.5178 8.7839 128.4234 52.0593 18.8283 178.5112 20 L 3.8409 9.0019 123.8110 57.1506 42.2320 177.1143 21 Y 4.9331 7.6517 113.5840 56.2715 42.0211 174.6178 22 T 4.3086 8.5311 118.6171 63.7903 69.5806 173.7997 23 F 4.7134 8.4050 127.0300 56.3907 42.3613 173.2551 24 E 4.4544 8.1566 125.9419 54.0406 30.2454 174.6073 25 P 3.8910 0.0000 0.0000 63.0283 31.9508 176.6669 26 R 4.2310 8.9017 120.6295 57.7359 30.9258 176.5858 27 T 4.7001 7.2977 106.1900 59.2559 71.7171 172.8022 28 P 4.4140 0.0000 0.0000 64.9168 31.5429 177.5830 29 D 4.5410 8.1646 118.0672 55.8006 41.1217 175.6478 30 E 5.2019 7.9209 118.7138 54.9730 31.4024 175.2118 31 L 4.7793 8.9448 125.4206 53.7879 43.3383 175.6514 32 Y 4.5770 8.8780 128.1249 57.9057 39.6519 174.3160 33 F 4.7837 7.4262 119.1060 56.0923 41.8161 172.8786 34 E 4.7835 9.3781 119.5673 53.8975 31.7890 175.4788 35 E 4.0409 8.5812 122.2693 58.4604 29.8644 177.6584 36 G 4.0251 9.0978 115.1696 45.2779 0.0000 173.5267 37 D 4.6003 8.1502 120.0826 54.3639 42.1339 175.6584 38 I 4.3898 8.1589 122.3897 60.8645 38.3479 175.2711 39 I 4.4391 8.5738 127.4168 59.6034 40.3330 174.0136 40 Y 4.9658 8.8797 125.2600 56.7784 39.6784 174.5782 41 I 4.9271 9.1068 126.7328 60.0675 38.9576 176.3513 42 T 4.7870 8.9371 115.8191 61.4281 70.3493 173.6629 43 D 4.5333 7.7674 122.6102 53.2089 44.7029 175.0052 44 M 4.3489 8.2537 125.3352 54.7667 33.1650 176.9730 45 S 4.2214 8.6525 116.8240 60.5998 63.4457 173.9672 46 D 4.8882 7.9525 119.6247 53.0433 42.2936 176.1786 47 T 4.2418 8.7216 122.2701 66.5957 68.9301 175.1691 48 N 4.3952 8.3952 117.4064 53.6143 40.7072 175.0956 49 W 5.0102 8.5549 117.8844 54.6618 31.9964 175.2609 50 W 5.2657 9.0724 125.1899 54.8982 31.9688 174.9366 51 K 4.8838 8.8369 123.9033 55.8666 33.6053 176.0648 52 G 4.4925 8.6931 112.6506 46.4108 0.0000 171.4251 53 T 5.3640 8.8385 113.2931 60.7508 71.5161 173.5263 54 S 4.7930 9.2693 121.6698 57.4952 66.1985 174.1819 55 K 3.8028 10.1360 127.4829 57.6359 29.4636 175.7588 56 G 4.0743 8.7205 105.6694 45.0951 0.0000 173.4565 57 R 4.8451 8.0940 118.3416 54.4014 33.3943 174.6633 58 T 5.2022 9.1652 108.9566 59.2998 72.0803 174.3084 59 G 3.9995 7.7849 108.7661 46.0318 0.0000 170.9973 60 L 5.2204 8.0655 119.8364 54.2422 43.2001 176.4883 61 I 4.9864 9.0879 116.4136 58.2380 41.3530 172.6395 62 P 3.2265 0.0000 0.0000 61.7827 31.5646 177.4370 63 S 2.9621 7.9997 119.7941 59.9767 62.9435 175.3257 64 N 4.4652 7.5204 116.5172 53.9867 37.5978 174.8308 65 Y 4.6066 8.0651 116.8928 58.3030 38.4796 174.9913 66 V 5.0619 7.2694 111.9831 59.5188 35.9883 174.7973 67 A 4.9129 8.8920 122.8169 49.9728 22.5700 175.4549 68 E 3.2058 8.9482 122.2810 55.9049 30.6414 176.5936 69 Q 4.0906 8.1393 126.0604 56.1380 29.1259 175.0652 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 12 G 8.35 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 13 Q 7.90 4.02 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.64 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 14 V 8.89 4.72 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 0.95 0.00 0.00 0.99 0.00 0.00 15 K 9.15 4.79 0.00 1.86 1.77 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.76 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.33 1.33 7.81 16 V 8.19 4.86 2.02 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 1.01 0.00 0.00 1.08 0.00 0.00 17 F 9.19 5.24 0.00 2.92 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 18 R 8.91 5.03 0.00 1.92 1.67 0.00 3.04 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.60 0.00 19 A 8.78 4.52 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 20 L 9.00 3.84 0.00 0.98 0.59 0.78 0.60 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 21 Y 7.65 4.93 0.00 2.81 2.71 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 22 T 8.53 4.31 4.30 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 1.11 0.00 0.00 23 F 8.41 4.71 0.00 2.31 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 24 E 8.16 4.45 0.00 1.67 1.72 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 2.31 2.28 0.00 25 P 0.00 3.89 0.00 1.97 2.24 0.00 3.62 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 26 R 8.90 4.23 0.00 1.88 1.96 0.00 3.22 0.00 0.00 3.51 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 27 T 7.30 4.70 4.19 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 0.00 0.00 0.00 1.12 0.00 0.00 28 P 0.00 4.41 0.00 2.06 2.15 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 29 D 8.16 4.54 0.00 2.69 2.70 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 30 E 7.92 5.20 0.00 2.13 2.35 0.00 0.00 0.00 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 2.21 0.00 31 L 8.94 4.78 0.00 1.80 1.99 1.15 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.88 4.58 0.00 2.96 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 33 F 7.43 4.78 0.00 3.03 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 34 E 9.38 4.78 0.00 2.18 1.91 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 2.21 2.09 0.00 35 E 8.58 4.04 0.00 2.06 1.94 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 2.33 2.29 0.00 36 G 9.10 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 37 D 8.15 4.60 0.00 2.74 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 4.39 1.70 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.72 0.33 0.00 0.00 39 I 8.57 4.44 1.67 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.49 0.81 0.00 0.00 40 Y 8.88 4.97 0.00 3.05 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 41 I 9.11 4.93 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.51 0.68 0.00 0.00 42 T 8.94 4.79 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 1.25 0.00 0.00 43 D 7.77 4.53 0.00 2.70 2.52 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 44 M 8.25 4.35 0.00 1.00 1.52 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.81 0.00 45 S 8.65 4.22 0.00 3.99 4.01 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 0.00 0.00 0.00 46 D 7.95 4.89 0.00 2.79 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.72 4.24 4.30 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 1.25 0.00 0.00 48 N 8.40 4.40 0.00 2.86 2.62 0.00 0.00 6.88 7.68 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 49 W 8.55 5.01 0.00 3.14 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 50 W 9.07 5.27 0.00 3.10 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 51 K 8.84 4.88 0.00 1.96 1.72 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.50 7.81 52 G 8.69 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.84 5.36 4.34 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 1.44 0.00 0.00 54 S 9.27 4.79 0.00 3.95 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 55 K 10.14 3.80 0.00 2.02 1.92 0.00 1.88 0.00 0.00 1.81 0.00 0.00 2.86 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.48 7.81 56 G 8.72 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.09 4.85 0.00 2.00 1.90 0.00 3.24 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 58 T 9.17 5.20 4.31 0.00 0.00 0.00 0.00 0.00 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 59 G 7.78 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 60 L 8.07 5.22 0.00 1.78 1.96 0.88 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 61 I 9.09 4.99 1.81 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.35 1.11 0.00 0.00 62 P 0.00 3.23 0.00 1.43 0.49 0.00 2.92 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.44 0.00 63 S 8.00 2.96 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 64 N 7.52 4.47 0.00 2.79 2.83 0.00 0.00 6.00 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 65 Y 8.07 4.61 0.00 3.15 3.29 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 0.00 0.00 0.00 0.00 66 V 7.27 5.06 2.14 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 0.34 0.00 0.00 0.63 0.00 0.00 67 A 8.89 4.91 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 68 E 8.95 3.21 0.00 1.67 1.61 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 1.80 1.47 0.00 69 Q 8.14 4.09 0.00 1.88 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.32 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00