NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9187 8.3549 109.7369 45.2235 0.0000 174.2118 3 K 4.1847 7.7523 118.9865 53.8957 33.5881 170.8772 4 V 4.5530 8.5405 121.6803 61.4766 35.8610 173.4084 5 Y 5.0651 8.8637 123.7741 56.0762 41.3134 174.6331 6 K 4.5539 8.2113 121.9550 54.4403 35.8053 174.7788 7 K 4.9742 8.3855 123.2027 54.6182 35.0515 175.9140 8 V 4.5670 8.7837 117.3877 59.4974 35.3317 174.1423 9 E 5.0362 8.7439 124.0644 54.7195 30.9483 174.9380 10 L 4.8773 8.9401 126.6383 52.8446 45.8905 175.7780 11 V 4.6236 8.2749 120.1871 61.1820 33.4941 175.0615 12 G 4.3745 9.1446 116.4808 45.1458 0.0000 171.9631 13 T 5.3310 8.1482 113.1079 60.1270 72.0356 172.9571 14 S 4.6767 8.7991 115.5816 57.9111 65.9881 175.3647 15 E 4.6382 9.0349 123.5789 57.7038 29.9226 177.5700 16 E 4.2273 8.6781 118.5188 56.1079 30.3247 176.6692 17 G 3.3731 7.3310 105.4623 44.2538 0.0000 172.8544 18 L 3.7493 7.3218 118.3901 57.7751 41.5268 179.3570 19 E 3.8584 8.0475 117.7567 59.5230 29.3749 179.1465 20 A 3.9801 7.9286 119.8491 55.1317 18.4313 179.3985 21 A 3.9144 7.8156 118.7740 55.1763 18.4309 179.9507 22 I 3.4675 7.6094 118.2780 64.6469 37.1102 178.5164 23 Q 3.8770 8.3374 118.9994 58.9637 28.6195 178.9617 24 A 3.9213 8.1900 121.5056 55.1273 18.3783 179.5587 25 A 3.8925 7.8126 118.6534 55.3578 18.5684 179.7626 26 L 3.9090 7.8828 117.3212 57.6688 41.4147 179.5656 27 A 3.9570 8.0136 120.3776 55.1627 18.7037 179.3927 28 R 3.9224 7.9571 116.7769 59.1623 30.1443 178.1992 29 A 3.8812 8.2896 121.2232 55.4940 18.1074 179.6195 30 R 3.8283 7.7837 115.3274 59.4111 30.0778 178.5609 31 K 4.1481 7.7706 117.4969 58.5415 32.1023 177.5971 32 T 4.5086 7.6890 105.0916 60.4229 70.2619 173.3673 33 L 4.3442 7.6510 122.5506 52.8625 43.8239 176.2801 34 R 4.3195 8.1478 121.7929 55.6058 32.4233 175.2021 35 H 4.2092 8.4368 113.3028 56.9613 26.2032 175.5203 36 L 4.6203 7.9596 118.0358 55.3084 42.4792 176.0499 37 D 5.2276 9.2739 122.6235 55.2896 43.0980 176.2764 38 W 5.4775 7.8491 113.3487 55.2618 31.6622 172.8874 39 F 5.3519 8.3938 114.6310 55.2445 41.1609 173.8104 40 E 4.6948 9.1268 118.3573 54.6366 33.1451 175.1214 41 V 4.2612 8.7377 125.3308 62.9125 31.7564 175.4490 42 K 4.5008 9.2856 127.6798 57.9500 33.7318 176.9487 43 E 4.8304 7.9568 117.2614 54.7965 34.3229 174.4453 44 I 5.1179 8.4042 123.4714 59.7389 40.1506 174.8967 45 R 4.5801 8.8365 123.3155 56.3703 33.2223 173.4501 46 G 4.1948 7.9395 105.4173 46.9013 0.0000 172.4084 47 T 4.7983 8.0486 109.9412 59.9111 71.8055 173.5472 48 I 4.7955 8.2419 122.4811 59.8108 40.2039 175.4285 49 G 4.3384 8.9586 115.7225 44.1237 0.0000 172.7630 50 E 3.8826 8.9904 117.3201 58.8445 29.5663 177.6825 51 A 4.6210 7.9090 118.8556 51.8233 20.5282 176.0937 52 G 4.0144 7.5724 104.7840 44.2803 0.0000 176.3984 53 V 3.6469 8.2754 124.5814 63.3429 31.2894 174.6353 54 K 4.2263 8.4429 129.7343 57.6368 32.4813 175.4737 55 E 4.8023 8.0805 118.9629 54.3559 32.7361 174.0336 56 Y 4.5820 9.2563 125.1707 57.8905 39.7527 174.6064 57 Q 4.9578 9.4347 122.0903 54.2280 32.7317 174.3084 58 V 4.7214 8.8214 124.9277 60.9946 34.3047 174.4206 59 V 4.6598 8.6122 129.1431 62.0173 32.5402 174.7118 60 L 5.2998 9.0257 127.6961 54.2206 44.6102 174.9129 61 E 4.9960 9.1980 120.0942 55.0367 31.9050 175.1389 62 V 4.5639 9.0079 124.2282 61.0097 34.1296 174.3305 63 G 2.9471 7.9680 115.7319 43.9707 0.0000 172.2600 64 F 5.6295 8.2034 117.4578 55.2530 41.8472 173.1893 65 R 4.2708 8.8992 121.8061 55.8189 30.6049 175.9796 66 L 4.5693 8.3006 126.5247 54.0255 42.7629 176.8888 67 E 4.2146 8.6564 121.3257 55.8868 30.4349 176.7389 68 E 4.1020 8.5227 120.0883 56.6307 29.7374 176.4516 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 G 8.35 3.92 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 0.00 0.00 0.00 3 K 7.75 4.18 0.00 1.82 1.51 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.48 7.81 4 V 8.54 4.55 2.03 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 1.09 0.00 0.00 0.92 0.00 0.00 5 Y 8.86 5.07 0.00 3.02 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 6 K 8.21 4.55 0.00 1.49 0.74 0.00 1.58 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.12 1.26 7.81 7 K 8.39 4.97 0.00 1.60 1.61 0.00 2.09 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.04 1.36 7.81 8 V 8.78 4.57 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 0.88 0.00 0.00 1.06 0.00 0.00 9 E 8.74 5.04 0.00 1.97 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 10 L 8.94 4.88 0.00 1.56 1.49 0.87 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.27 4.62 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 0.81 0.00 0.00 0.94 0.00 0.00 12 G 9.14 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.15 5.33 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 1.27 0.00 0.00 14 S 8.80 4.68 0.00 3.89 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.03 4.64 0.00 2.03 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 0.00 2.55 2.35 0.00 16 E 8.68 4.23 0.00 1.95 1.99 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 2.32 2.27 0.00 17 G 7.33 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.32 3.75 0.00 1.57 1.64 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.05 3.86 0.00 1.98 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 0.00 2.39 2.43 0.00 20 A 7.93 3.98 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.82 3.91 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.61 3.47 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 1.37 0.62 0.26 0.00 0.00 23 Q 8.34 3.88 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 24 A 8.19 3.92 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.81 3.89 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.88 3.91 0.00 1.75 1.65 0.70 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.01 3.96 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 28 R 7.96 3.92 0.00 1.94 1.88 0.00 3.13 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 29 A 8.29 3.88 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 30 R 7.78 3.83 0.00 1.98 2.05 0.00 3.25 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 31 K 7.77 4.15 0.00 1.84 1.82 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.58 7.81 32 T 7.69 4.51 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 33 L 7.65 4.34 0.00 1.39 0.71 0.38 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.15 4.32 0.00 1.63 1.57 0.00 3.27 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 35 H 8.44 4.21 0.00 3.65 3.44 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.96 4.62 0.00 1.69 1.67 0.87 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.27 5.23 0.00 3.13 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 38 W 7.85 5.48 0.00 3.24 3.17 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 39 F 8.39 5.35 0.00 3.04 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 40 E 9.13 4.69 0.00 2.00 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 2.38 2.56 0.00 41 V 8.74 4.26 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 0.84 0.00 0.00 1.14 0.00 0.00 42 K 9.29 4.50 0.00 1.74 1.87 0.00 1.96 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.59 1.58 7.81 43 E 7.96 4.83 0.00 1.89 1.79 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 2.31 2.36 0.00 44 I 8.40 5.12 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.66 1.01 0.00 0.00 45 R 8.84 4.58 0.00 1.81 2.03 0.00 3.06 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 46 G 7.94 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 0.00 0.00 0.00 0.00 47 T 8.05 4.80 4.20 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 48 I 8.24 4.80 1.83 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 1.22 0.62 0.92 0.00 0.00 49 G 8.96 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 0.00 0.00 0.00 0.00 50 E 8.99 3.88 0.00 1.96 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 0.00 2.31 2.30 0.00 51 A 7.91 4.62 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.57 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 0.00 0.00 0.00 53 V 8.28 3.65 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.67 0.00 0.00 54 K 8.44 4.23 0.00 1.78 1.79 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.36 1.38 7.81 55 E 8.08 4.80 0.00 2.04 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 56 Y 9.26 4.58 0.00 2.98 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 57 Q 9.43 4.96 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 58 V 8.82 4.72 2.07 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 0.96 0.00 0.00 0.95 0.00 0.00 59 V 8.61 4.66 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 0.87 0.00 0.00 0.95 0.00 0.00 60 L 9.03 5.30 0.00 1.92 1.74 0.75 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.20 5.00 0.00 1.94 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 2.27 2.27 0.00 62 V 9.01 4.56 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 0.95 0.00 0.00 0.90 0.00 0.00 63 G 7.97 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 0.00 0.00 0.00 64 F 8.20 5.63 0.00 3.40 3.07 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 65 R 8.90 4.27 0.00 1.87 1.91 0.00 2.87 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.15 0.00 66 L 8.30 4.57 0.00 1.65 1.57 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.66 4.21 0.00 1.98 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 2.38 2.28 0.00 68 E 8.52 4.10 0.00 1.91 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 2.28 2.28 0.00