NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.2959 8.1744 110.9440 61.3077 70.5788 173.5642 6 N 4.6186 7.9953 119.4909 51.6033 39.0920 173.1306 7 S 4.4038 7.9762 111.4059 58.1132 64.9331 172.6906 8 D 4.8490 8.5973 121.0626 54.5257 42.3724 174.4320 9 F 5.3504 8.0503 115.9324 55.0143 41.5275 173.8600 10 V 4.4134 8.7479 119.3161 61.0789 34.4434 174.2343 11 V 4.7821 8.7307 127.3324 61.3830 33.5916 174.2781 12 I 4.8655 9.0461 129.0960 59.3704 40.2875 174.2973 13 K 5.0055 9.0278 129.1231 54.2018 34.2692 175.1295 14 A 4.3452 8.7639 130.7513 52.4679 19.0070 177.3934 15 L 4.6627 8.9832 122.5646 54.7534 42.6053 175.8440 16 E 4.7559 7.6991 115.6903 54.8691 32.6373 174.5298 17 D 4.4798 8.6309 119.9966 54.9488 41.7296 176.5788 18 G 3.8307 9.0393 108.8147 46.4087 0.0000 174.1018 19 V 3.9031 7.7039 119.9617 62.7209 32.9159 174.3913 20 N 5.3597 9.1927 125.0208 51.4592 41.4692 173.5355 21 V 4.5358 8.7979 124.6852 61.4359 33.4687 174.2492 22 I 4.5773 8.8605 130.0576 59.4142 39.4748 175.0574 23 G 4.1071 8.7886 115.2527 45.2506 0.0000 172.4269 24 L 5.4535 8.7601 125.9483 53.0980 43.9696 176.3556 25 T 4.4609 8.5967 114.1097 61.9623 69.3396 173.9843 26 R 4.5035 7.7702 125.5938 55.7458 30.9230 176.2990 27 G 3.8834 8.8640 111.1452 43.6389 0.0000 173.4682 28 A 3.9947 8.4528 122.2354 54.3845 18.5237 177.7444 29 D 4.9368 7.2494 111.5560 52.9466 42.9031 176.1616 30 T 4.7640 8.2964 118.3288 62.0039 71.2587 173.2506 31 R 4.6588 8.6479 121.7665 54.4765 33.7600 174.1082 32 F 5.3391 8.5399 119.0798 57.8950 38.9889 175.2913 33 H 4.9630 9.0973 118.8927 56.3398 30.3809 174.2416 34 H 4.8251 7.6399 117.6701 54.9751 33.3715 172.0667 35 S 4.7619 8.2043 118.9959 56.4707 64.8640 172.4545 36 E 4.3887 8.9240 129.8213 54.8267 30.7483 174.7099 37 K 4.8059 8.5957 128.9308 55.7284 33.5791 175.5767 38 L 4.9865 9.0629 127.1446 53.1974 45.1099 176.1959 39 D 4.9871 9.3856 123.8887 52.1852 43.6852 175.7960 40 K 4.0104 9.0070 121.7452 58.4604 32.2007 177.0145 41 G 3.9923 9.0924 115.6018 45.1616 0.0000 173.3578 42 E 4.3190 7.9895 119.6147 56.0810 31.0007 175.8388 43 V 4.9431 8.2729 121.6922 61.0298 34.3539 174.1981 44 L 4.7174 9.0679 129.9802 53.2862 44.5802 174.8049 45 I 5.0511 8.4961 126.6402 59.6278 39.1586 174.7799 46 A 4.7010 9.0216 129.2546 50.1163 22.0046 175.3754 47 Q 4.7713 8.6949 121.1254 55.1496 30.2653 175.8872 48 F 4.8040 8.4106 120.5885 58.0109 38.6484 175.0557 49 T 4.7827 9.0147 111.6638 59.8461 72.0173 174.3624 50 E 4.2154 8.8875 118.7026 59.4029 29.6695 177.7215 51 H 4.4706 7.8455 115.6055 56.5292 29.6898 174.3266 52 T 5.2813 8.4451 116.0262 60.9355 71.2419 174.4150 53 S 4.9474 8.9791 120.2688 58.0851 64.8489 173.3208 54 A 5.2318 7.9024 121.4826 51.0971 22.6973 175.1573 55 I 4.9279 8.5013 120.2199 59.4156 40.7639 174.6586 56 K 4.5337 8.9300 128.5735 54.5538 34.4955 174.7798 57 V 4.7664 8.3276 126.4398 61.1257 33.8147 174.5495 58 R 4.4976 8.9755 126.8124 55.4396 32.9720 175.5791 59 G 3.9967 9.0367 109.3361 43.7993 0.0000 172.4897 60 K 4.5282 9.2680 120.6299 56.2020 32.9804 175.6004 61 A 5.1424 8.9665 128.2897 50.8769 23.4252 173.8655 62 Y 4.7460 8.9843 122.0226 56.1473 40.6248 174.5283 63 I 5.0299 8.4177 127.8262 59.5483 40.7711 174.5315 64 Q 5.0769 9.0604 125.5122 54.3997 31.8260 174.8485 65 T 4.6939 8.5859 112.3821 59.6215 72.5453 174.5188 66 R 3.6723 8.5650 120.8574 59.4164 29.8112 176.4102 67 H 4.6826 7.8083 112.5473 55.0512 29.6800 173.7487 68 G 3.7919 7.4905 105.9182 44.0164 0.0000 172.7185 69 V 4.5743 8.0733 119.6126 61.5761 33.4134 176.3206 70 I 4.6404 8.3475 125.3205 59.5951 42.1709 173.1990 71 E 5.1287 8.4724 124.8898 54.4491 32.4597 175.8522 72 S 4.5634 8.8036 119.6913 57.9042 65.0265 172.9455 73 E 4.9580 8.6947 120.7180 54.5358 32.4924 176.2914 74 G 3.7262 8.6683 111.4142 45.7448 0.0000 173.4455 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 5 T 8.17 4.30 4.25 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 1.22 0.00 0.00 6 N 8.00 4.62 0.00 2.80 2.86 0.00 0.00 7.10 6.75 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 7 S 7.98 4.40 0.00 4.14 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 8 D 8.60 4.85 0.00 2.83 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 9 F 8.05 5.35 0.00 3.09 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 10 V 8.75 4.41 1.93 0.00 0.00 0.00 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 0.72 0.00 0.00 11 V 8.73 4.78 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 1.09 0.00 0.00 1.18 0.00 0.00 12 I 9.05 4.87 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.61 0.91 0.00 0.00 13 K 9.03 5.01 0.00 1.89 1.78 0.00 1.58 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.38 7.81 14 A 8.76 4.35 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.98 4.66 0.00 1.66 1.73 0.99 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.70 4.76 0.00 1.92 1.89 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 2.34 2.34 0.00 17 D 8.63 4.48 0.00 2.58 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.04 3.83 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 0.00 0.00 0.00 19 V 7.70 3.90 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 0.88 0.00 0.00 1.01 0.00 0.00 20 N 9.19 5.36 0.00 2.57 2.61 0.00 0.00 6.31 7.66 0.00 0.00 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 8.80 4.54 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 0.98 0.00 0.00 0.90 0.00 0.00 22 I 8.86 4.58 1.37 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.42 -0.07 0.00 0.00 23 G 8.79 4.11 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 0.00 0.00 0.00 24 L 8.76 5.45 0.00 1.89 1.73 0.87 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.60 4.46 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 1.39 0.00 0.00 26 R 7.77 4.50 0.00 1.93 1.99 0.00 3.24 0.00 0.00 3.07 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.43 0.00 27 G 8.86 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.45 3.99 1.29 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 0.00 0.00 29 D 7.25 4.94 0.00 2.75 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.30 4.76 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 1.29 0.00 0.00 31 R 8.65 4.66 0.00 1.78 1.93 0.00 2.79 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 32 F 8.54 5.34 0.00 2.89 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 H 9.10 4.96 0.00 3.16 3.50 0.00 5.78 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.64 4.83 0.00 3.29 3.05 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.20 4.76 0.00 3.77 3.62 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 36 E 8.92 4.39 0.00 2.20 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 2.27 2.29 0.00 37 K 8.60 4.81 0.00 1.78 1.67 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.58 7.81 38 L 9.06 4.99 0.00 1.54 1.51 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.39 4.99 0.00 2.55 2.74 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 40 K 9.01 4.01 0.00 1.66 1.74 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.40 7.81 41 G 9.09 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 7.99 4.32 0.00 1.96 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 43 V 8.27 4.94 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.94 0.00 0.00 44 L 9.07 4.72 0.00 1.74 1.47 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.50 5.05 1.79 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.79 0.77 0.00 0.00 46 A 9.02 4.70 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.69 4.77 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 48 F 8.41 4.80 0.00 3.02 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.01 4.78 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 1.31 0.00 0.00 50 E 8.89 4.22 0.00 2.04 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 0.00 2.32 2.29 0.00 51 H 7.85 4.47 0.00 3.39 3.29 0.00 5.75 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.45 5.28 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 53 S 8.98 4.95 0.00 3.82 4.08 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 54 A 7.90 5.23 1.31 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 0.00 0.00 55 I 8.50 4.93 1.80 0.00 0.00 0.38 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 0.64 0.86 0.00 0.00 56 K 8.93 4.53 0.00 1.69 1.36 0.00 1.45 0.00 0.00 1.44 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.25 1.32 7.81 57 V 8.33 4.77 2.05 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 0.85 0.00 0.00 0.89 0.00 0.00 58 R 8.98 4.50 0.00 1.71 1.76 0.00 3.14 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 59 G 9.04 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 K 9.27 4.53 0.00 1.96 1.72 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 A 8.97 5.14 1.22 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 0.00 0.00 0.00 62 Y 8.98 4.75 0.00 3.08 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 63 I 8.42 5.03 1.89 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.59 0.90 0.00 0.00 64 Q 9.06 5.08 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.57 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 65 T 8.59 4.69 4.11 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 1.15 0.00 0.00 66 R 8.56 3.67 0.00 1.69 1.79 0.00 3.16 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 67 H 7.81 4.68 0.00 3.18 3.25 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.49 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 0.00 0.00 0.00 69 V 8.07 4.57 1.96 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 0.09 0.00 0.00 0.87 0.00 0.00 70 I 8.35 4.64 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.39 0.84 0.00 0.00 71 E 8.47 5.13 0.00 1.81 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 0.00 2.42 2.14 0.00 72 S 8.80 4.56 0.00 3.94 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 73 E 8.69 4.96 0.00 1.83 1.86 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 2.20 2.28 0.00 74 G 8.67 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00