NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.5967 8.3601 120.5307 54.4363 42.2772 174.3313 4 A 4.4967 8.0180 124.0867 50.2805 22.1622 174.4133 5 L 4.3608 9.0421 120.8976 54.4133 43.5706 174.9312 6 N 5.1213 8.4459 117.9457 51.5428 41.7999 174.2951 7 V 4.5102 7.8971 113.0929 58.6389 34.9577 173.8483 8 P 4.5147 0.0000 0.0000 62.8103 31.8858 175.9521 9 S 4.8335 8.2695 115.0479 57.1710 65.4208 173.8613 10 T 4.6006 8.2487 118.5169 62.1276 70.1308 174.7922 11 C 4.9410 8.4781 122.2746 55.2451 44.3829 173.7375 12 C 4.8986 8.2570 118.2694 55.3986 41.7774 174.1833 13 F 4.3084 8.6448 122.1001 57.5787 40.1949 175.7082 14 T 4.4848 7.3848 108.7902 59.6356 71.6821 172.8685 15 F 5.1509 8.2393 120.9086 55.4446 41.4543 175.9847 16 S 4.3960 8.9631 121.5197 59.0453 63.1125 174.9772 17 S 4.4490 8.7062 119.0438 59.8233 63.6977 174.3744 18 K 3.9513 7.8975 122.5727 55.1554 32.4031 175.9742 19 K 2.5902 8.0133 127.7601 55.0221 31.2245 176.1127 20 I 3.7587 7.5560 126.5906 60.2329 38.9570 175.5662 21 S 4.1011 8.5522 120.1711 58.4397 62.8031 175.0308 22 L 3.4310 8.4875 129.1139 57.8970 41.9686 178.6240 23 Q 3.9248 7.3920 117.5055 58.6948 29.2508 177.3891 24 R 4.1056 7.9366 116.2159 57.6917 30.4625 176.1965 25 L 4.9050 7.5316 117.9882 53.5605 43.1558 175.6475 26 K 4.5808 8.8678 123.0947 57.8961 34.0931 175.7373 27 S 4.9188 7.7911 112.1011 57.9405 66.2557 172.4773 28 Y 5.4726 8.2567 116.9370 55.7548 41.0885 174.6059 29 V 4.4094 8.6609 112.3925 59.7065 36.3751 174.6936 30 I 4.8202 8.1964 123.3104 60.1525 38.3718 176.1012 31 T 4.0261 8.4814 116.7584 61.5951 69.5324 174.0849 32 T 3.8760 8.5968 117.4770 62.5024 67.7003 174.9794 33 S 4.2805 8.5586 121.5585 60.3985 63.1659 175.6234 34 R 4.0463 7.5589 120.2861 58.9679 28.7751 176.7561 35 C 4.4566 8.1991 116.2906 56.0394 40.5680 172.8223 36 P 3.9455 0.0000 0.0000 64.3550 31.3414 176.1184 37 Q 4.5485 7.0999 115.9374 54.2759 31.6195 174.1974 38 K 4.1733 8.5242 120.7320 56.1995 33.1901 175.7719 39 A 4.8635 8.3785 125.9238 50.6175 23.3769 174.6760 40 V 4.4405 8.4635 119.4944 61.4174 33.8757 174.7618 41 I 4.8547 8.6133 128.4933 59.6292 39.5867 174.7618 42 F 5.3238 9.0426 126.4988 56.7318 40.9722 174.7318 43 R 5.1936 9.2485 123.6924 54.8481 32.2210 175.7064 44 T 4.7541 9.0187 117.3931 60.7072 70.3307 176.0880 45 K 4.1018 9.1210 122.1098 59.2058 32.0977 178.2367 46 L 4.3597 7.9825 116.4137 54.5262 41.6711 177.1934 47 G 3.9544 8.5706 107.7229 45.0474 0.0000 173.9426 48 K 4.2798 8.1008 121.1460 55.7752 33.0274 175.0306 49 E 5.2551 8.6193 123.7097 54.7691 31.6516 175.2602 50 I 4.7056 8.9505 125.1477 59.6814 40.5479 174.2353 51 C 5.1696 8.9727 123.8966 56.7440 42.7251 172.4716 52 A 5.0795 9.1186 123.6792 50.4321 23.2416 174.8737 53 D 3.3700 8.0426 119.8443 51.9625 41.3162 175.5904 54 P 4.1528 0.0000 0.0000 64.3890 31.6169 177.6644 55 K 3.9791 7.8977 118.6167 58.8133 32.5318 178.0242 56 E 4.0459 7.5700 119.4025 55.4027 31.0497 177.5643 57 K 3.8570 8.5802 124.3634 59.4642 32.3643 179.1813 58 W 4.1327 8.0586 116.4987 59.3433 28.0108 178.2636 59 V 2.8421 6.3688 118.4285 65.6975 30.9479 177.8599 60 Q 3.8474 7.5698 117.1880 58.9047 28.5500 178.5901 61 N 4.3616 8.3438 117.5449 56.6951 38.5776 177.0469 62 Y 4.2802 8.6976 118.4975 61.4978 37.8609 178.6151 63 M 3.7546 8.3646 119.6830 58.0469 31.6659 179.0444 64 K 3.9910 7.7092 117.9720 59.7486 32.3240 178.8589 65 H 4.3864 7.8858 115.0143 59.0233 28.7596 177.7180 66 L 4.2641 8.0963 119.7861 57.1818 41.5375 177.4789 67 G 4.0430 8.2979 112.0078 45.7619 0.0000 173.4838 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 3 D 8.36 4.60 0.00 2.68 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.02 4.50 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 5 L 9.04 4.36 0.00 1.65 1.61 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 6 N 8.45 5.12 0.00 2.66 2.68 0.00 0.00 6.76 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 7 V 7.90 4.51 2.08 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 0.75 0.00 0.00 0.93 0.00 0.00 8 P 0.00 4.51 0.00 2.05 2.01 0.00 3.64 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 2.03 2.11 0.00 9 S 8.27 4.83 0.00 3.83 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.25 4.60 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 1.21 0.00 0.00 11 C 8.48 4.94 0.00 2.57 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 0.00 0.00 0.00 0.00 12 C 8.26 4.90 0.00 2.79 2.80 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 13 F 8.64 4.31 0.00 2.96 2.96 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 14 T 7.38 4.48 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 1.21 0.00 0.00 15 F 8.24 5.15 0.00 3.11 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 16 S 8.96 4.40 0.00 4.20 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 17 S 8.71 4.45 0.00 4.02 4.06 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 0.00 0.00 0.00 0.00 18 K 7.90 3.95 0.00 1.72 1.75 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.34 7.81 19 K 8.01 2.59 0.00 0.79 1.11 0.00 1.13 0.00 0.00 1.13 0.00 0.00 2.81 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.84 0.21 7.81 20 I 7.56 3.76 1.91 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 1.31 0.93 1.04 0.00 0.00 21 S 8.55 4.10 0.00 3.85 3.71 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 L 8.49 3.43 0.00 0.82 1.30 0.12 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 7.39 3.92 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 24 R 7.94 4.11 0.00 2.08 1.96 0.00 3.15 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 25 L 7.53 4.91 0.00 1.64 1.62 0.50 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.87 4.58 0.00 1.75 1.98 0.00 1.86 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.37 7.81 27 S 7.79 4.92 0.00 3.90 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 28 Y 8.26 5.47 0.00 2.78 3.12 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 0.00 0.00 0.00 0.00 29 V 8.66 4.41 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 0.62 0.00 0.00 0.91 0.00 0.00 30 I 8.20 4.82 1.87 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 1.52 0.83 0.96 0.00 0.00 31 T 8.48 4.03 4.18 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 1.21 0.00 0.00 32 T 8.60 3.88 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 33 S 8.56 4.28 0.00 4.00 3.97 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 0.00 0.00 0.00 34 R 7.56 4.05 0.00 1.76 2.03 0.00 3.16 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 35 C 8.20 4.46 0.00 3.00 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 36 P 0.00 3.95 0.00 2.23 2.22 0.00 3.57 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 37 Q 7.10 4.55 0.00 2.24 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.86 0.00 0.00 0.00 0.00 0.00 2.11 2.23 0.00 38 K 8.52 4.17 0.00 1.73 1.75 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.73 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.41 7.81 39 A 8.38 4.86 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 40 V 8.46 4.44 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 0.02 0.00 0.00 0.61 0.00 0.00 41 I 8.61 4.85 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.71 0.96 0.00 0.00 42 F 9.04 5.32 0.00 3.17 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.25 5.19 0.00 1.92 1.85 0.00 3.13 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 44 T 9.02 4.75 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 1.35 0.00 0.00 45 K 9.12 4.10 0.00 1.72 1.93 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.49 1.43 7.81 46 L 7.98 4.36 0.00 1.65 1.70 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.57 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 0.00 0.00 0.00 48 K 8.10 4.28 0.00 1.86 1.73 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.45 7.81 49 E 8.62 5.26 0.00 1.92 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 50 I 8.95 4.71 2.16 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.87 1.23 0.00 0.00 51 C 8.97 5.17 0.00 3.02 3.19 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 0.00 52 A 9.12 5.08 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.04 3.37 0.00 1.75 2.15 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 54 P 0.00 4.15 0.00 2.04 1.94 0.00 3.34 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.84 0.00 55 K 7.90 3.98 0.00 1.69 1.81 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.38 7.81 56 E 7.57 4.05 0.00 1.60 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.07 0.00 57 K 8.58 3.86 0.00 1.82 1.85 0.00 1.72 0.00 0.00 1.89 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.50 7.81 58 W 8.06 4.13 0.00 3.28 3.16 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 0.00 59 V 6.37 2.84 1.67 0.00 0.00 0.00 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 -0.68 0.00 0.00 60 Q 7.57 3.85 0.00 2.21 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.23 2.39 0.00 61 N 8.34 4.36 0.00 3.09 3.08 0.00 0.00 7.03 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 8.70 4.28 0.00 3.18 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 M 8.36 3.75 0.00 1.46 2.02 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 1.27 0.00 64 K 7.71 3.99 0.00 1.90 1.82 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.71 7.81 65 H 7.89 4.39 0.00 3.27 3.33 0.00 5.85 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 8.10 4.26 0.00 1.98 1.98 1.28 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.30 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00