NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.3385 8.2549 119.7022 56.6884 30.6114 173.9369 3 E 4.2577 7.9268 123.3140 55.2481 32.8916 173.0778 4 I 3.4482 8.2555 122.3468 62.4369 38.3479 175.5569 5 K 3.9399 8.8638 127.5529 58.2693 32.3221 176.3135 6 G 3.9756 6.8598 101.5842 46.9224 0.0000 170.5446 7 Y 4.9866 7.9267 118.0641 57.0446 41.4830 174.6978 8 E 5.0020 8.2534 118.4054 56.6018 32.1969 174.7906 9 Y 4.5116 9.9873 126.7414 57.0832 40.5939 175.2017 10 Q 4.5809 8.5977 120.0774 54.3236 30.2942 174.9099 11 L 4.6290 8.8060 124.3424 53.9264 44.3160 175.4546 12 Y 4.6492 8.5608 117.1711 56.5214 40.5773 175.0687 13 V 4.5307 9.0885 125.7432 61.1598 34.2807 173.9824 14 Y 4.7963 8.9051 125.5016 57.0478 39.0060 175.0056 15 A 4.6704 9.1834 127.5227 51.6797 21.9895 175.9813 16 S 3.5961 9.8128 119.7826 60.0437 60.5022 172.8636 17 D 4.8253 8.7460 115.0223 54.7704 38.2300 174.1313 18 K 4.5943 8.0218 118.1175 54.3568 35.9782 174.5286 19 L 4.3215 7.5479 122.5566 53.5356 43.7070 175.2065 20 F 4.8061 9.4242 124.7424 55.6508 43.5027 174.6099 21 R 4.3313 9.1012 121.4630 54.7820 30.9682 174.9510 22 A 5.0753 8.0045 125.9132 50.1325 22.1391 175.1742 23 D 5.2627 9.5874 121.4175 52.7237 43.9236 175.0521 24 I 4.7812 8.4846 124.7471 59.7404 39.6142 174.9682 25 S 4.9651 8.7388 121.6536 57.2160 64.5671 172.5371 26 E 4.9996 8.8944 125.9588 54.5015 32.9621 173.7976 27 D 4.5025 9.0727 127.9399 54.2758 41.9907 175.6817 28 Y 3.9790 8.8576 128.5837 59.7387 39.4075 176.8519 29 K 3.9183 8.1862 122.2729 59.7924 32.3780 177.9527 30 T 4.1201 8.4362 106.3794 61.1867 69.3715 174.8085 31 R 3.8331 7.8582 121.1008 57.1542 29.2311 175.9347 32 G 3.8553 8.2486 104.6145 45.5259 0.0000 173.2710 33 R 5.3746 8.4770 126.1105 53.9708 32.1281 176.3612 34 K 4.6583 8.8239 122.2563 54.5701 36.1297 175.4436 35 L 4.4712 8.7979 126.3650 55.4078 42.3215 176.1999 36 L 4.7840 8.3722 124.6682 54.9116 41.9608 176.2452 37 R 4.2722 7.3148 115.8554 55.9515 33.5159 172.5444 38 F 4.9058 9.2582 129.2466 56.6982 41.0807 173.4866 39 N 5.1331 9.8464 123.8052 51.5366 42.6070 175.4337 40 G 3.4817 8.6688 106.5476 43.4246 0.0000 170.7186 41 P 4.3483 0.0000 0.0000 62.5736 32.2790 175.2436 42 V 4.5163 7.3673 111.8347 59.3173 36.0232 172.5097 43 P 4.6045 0.0000 0.0000 61.4338 31.8983 174.3876 44 P 4.2736 0.0000 0.0000 62.5856 31.5867 174.1536 45 P 4.4124 0.0000 0.0000 63.0743 31.4748 175.7960 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 2 R 8.25 4.34 0.00 1.79 1.97 0.00 3.36 0.00 0.00 3.21 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 3 E 7.93 4.26 0.00 1.79 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 2.15 2.34 0.00 4 I 8.26 3.45 1.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.12 0.44 0.00 0.00 5 K 8.86 3.94 0.00 1.72 1.73 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.41 7.81 6 G 6.86 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.93 4.99 0.00 3.07 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.25 5.00 0.00 1.97 1.80 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 2.22 2.37 0.00 9 Y 9.99 4.51 0.00 2.92 2.95 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 10 Q 8.60 4.58 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.96 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 11 L 8.81 4.63 0.00 1.78 1.63 1.00 0.83 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 12 Y 8.56 4.65 0.00 2.80 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 13 V 9.09 4.53 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 1.14 0.00 0.00 0.98 0.00 0.00 14 Y 8.91 4.80 0.00 2.93 3.01 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 15 A 9.18 4.67 1.41 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 0.00 0.00 0.00 16 S 9.81 3.60 0.00 4.13 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 17 D 8.75 4.83 0.00 2.91 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 18 K 8.02 4.59 0.00 1.73 1.38 0.00 1.88 0.00 0.00 1.91 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.41 7.81 19 L 7.55 4.32 0.00 0.66 1.03 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 20 F 9.42 4.81 0.00 2.31 2.31 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 0.00 21 R 9.10 4.33 0.00 1.40 1.61 0.00 2.75 0.00 0.00 2.25 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 1.29 0.00 22 A 8.00 5.08 1.17 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 0.00 0.00 23 D 9.59 5.26 0.00 2.59 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 8.48 4.78 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.20 0.93 0.00 0.00 25 S 8.74 4.97 0.00 3.99 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 26 E 8.89 5.00 0.00 2.46 2.18 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 2.35 2.36 0.00 27 D 9.07 4.50 0.00 2.89 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 28 Y 8.86 3.98 0.00 2.89 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 29 K 8.19 3.92 0.00 1.80 1.88 0.00 1.80 0.00 0.00 1.89 0.00 0.00 3.15 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.55 7.81 30 T 8.44 4.12 4.23 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 1.35 0.00 0.00 31 R 7.86 3.83 0.00 1.91 1.98 0.00 3.23 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 32 G 8.25 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.48 5.37 0.00 1.69 1.86 0.00 3.01 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.82 0.00 34 K 8.82 4.66 0.00 1.79 1.86 0.00 1.33 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.39 7.81 35 L 8.80 4.47 0.00 1.68 1.64 1.09 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.37 4.78 0.00 1.66 1.73 1.01 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.31 4.27 0.00 1.93 1.79 0.00 3.18 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.76 0.00 38 F 9.26 4.91 0.00 2.91 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.85 5.13 0.00 2.71 2.62 0.00 0.00 6.67 7.53 0.00 0.00 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 G 8.67 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.35 0.00 1.77 1.55 0.00 3.30 0.00 0.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.68 0.00 42 V 7.37 4.52 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 0.55 0.00 0.00 0.72 0.00 0.00 43 P 0.00 4.60 0.00 2.08 2.05 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 44 P 0.00 4.27 0.00 2.23 2.25 0.00 3.77 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 45 P 0.00 4.41 0.00 1.91 1.94 0.00 3.63 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 1.37 0.44 0.00