NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3036 0.0000 0.0000 62.3157 33.7580 176.3519 3 L 4.1197 7.7420 118.1748 54.0549 42.3801 176.5714 4 K 4.2216 10.7800 126.0537 55.6178 34.8286 176.0954 5 P 4.2426 0.0000 0.0000 66.0597 31.2471 178.6298 6 E 3.9417 8.1326 117.3173 59.3522 29.5727 178.5523 7 E 4.1393 8.1556 118.1724 59.6301 29.5842 178.6295 8 H 4.0956 8.5113 118.4228 59.2447 29.8741 176.8187 9 E 3.9374 8.5793 121.4468 59.3622 29.3590 178.2657 10 D 4.3818 8.1721 118.8353 57.7004 40.9261 179.0700 11 I 3.6669 7.4911 119.7580 64.3667 36.8642 178.4250 12 L 3.9221 7.5955 118.6527 57.7610 41.7272 178.8261 13 N 4.4114 8.4137 117.1514 56.5167 38.6580 176.6655 14 K 3.8628 8.2039 121.1532 59.6915 32.1049 178.6316 15 L 4.0660 7.8683 117.2227 56.9575 41.4932 178.8286 16 L 4.2297 7.5613 120.4301 56.7312 42.4140 176.3648 17 D 4.3583 7.5771 119.4357 53.6880 41.1263 175.0636 18 P 4.3215 0.0000 0.0000 65.0701 31.4802 177.1003 19 E 4.3485 8.5440 116.0603 55.7124 29.9183 176.1699 20 L 3.8385 7.5390 121.2382 55.1427 42.6552 177.1813 21 A 4.0450 8.6342 127.0963 52.5660 19.8461 178.0710 22 Q 3.9186 8.8500 124.5099 59.4280 29.0705 179.2591 23 S 4.1107 8.0051 114.7626 61.4710 63.0282 176.1947 24 E 4.0316 7.9848 121.6731 58.7620 29.3723 179.0004 25 R 3.8512 8.1728 119.0031 59.7204 30.1937 178.6290 26 T 3.8664 8.0919 115.7382 66.6595 68.4538 176.2281 27 E 3.9143 8.2142 120.9153 59.2384 29.7124 178.7378 28 A 4.0277 8.2434 121.0184 55.1340 18.3964 179.6540 29 L 3.9783 8.0803 117.5790 57.8822 41.5676 179.7466 30 Q 4.0095 8.0649 118.1999 59.0185 28.6253 178.6690 31 Q 4.0365 8.1641 119.0709 59.0366 28.6615 179.0141 32 L 4.0479 7.9435 119.9545 57.5956 41.6258 179.5110 33 R 3.9068 8.0964 118.7478 59.5050 30.1195 178.7874 34 V 3.6197 8.1769 118.4257 65.9171 31.4732 177.4263 35 N 4.3446 8.4129 116.8764 57.0505 38.8035 176.2394 36 Y 4.1880 8.5517 121.2573 60.5316 38.8021 178.2544 37 G 3.6296 8.2806 106.8907 47.8394 0.0000 175.9906 38 S 4.1351 8.1147 117.6521 61.1446 62.8871 176.4559 39 F 3.9354 8.5524 123.7170 61.4436 39.1982 177.2442 40 V 3.5922 7.8398 117.9681 65.9682 31.3040 177.6699 41 S 4.0970 8.1063 113.0916 61.5735 62.2557 176.0713 42 E 4.1047 8.3381 119.6737 58.8652 29.4694 178.2955 43 Y 4.0797 8.1561 121.3639 60.7747 38.8540 177.3130 44 N 4.2452 8.3978 117.5242 56.1917 38.6139 177.2348 45 D 4.2787 7.9989 120.1386 57.3433 40.9697 178.5839 46 L 3.9314 8.0657 120.9751 58.2905 41.9808 179.2540 47 T 3.6994 7.6136 115.8141 66.3478 68.3797 176.9699 48 K 4.1237 8.0962 120.7551 59.5360 32.0576 179.6558 49 S 4.1552 8.1851 114.5151 61.5515 62.8161 176.0384 50 H 4.1219 8.1225 122.0263 59.0748 29.5925 177.1383 51 E 3.9801 8.4169 120.5656 58.8826 29.1139 179.3244 52 K 3.8841 7.9039 119.8568 59.5431 32.2856 178.8172 53 L 3.9122 8.0291 119.1351 57.8384 41.5027 179.4576 54 A 3.9194 8.2018 120.5626 55.0608 18.3093 179.6047 55 A 3.9440 7.9637 119.3454 55.3297 18.4245 179.7686 56 E 3.9349 8.5065 117.5223 59.1525 29.3953 179.5133 57 K 3.8881 8.3679 120.0945 59.6713 32.3389 178.5051 58 D 4.3297 8.0026 119.1636 57.4811 40.7322 178.4043 59 D 4.3181 8.1509 118.3560 57.4435 41.2592 178.3864 60 L 4.0319 8.1379 119.5408 57.7129 41.5606 179.5785 61 I 3.7362 8.0421 120.1843 64.1609 36.9424 178.6233 62 V 3.5503 7.7951 119.1353 65.9846 31.4106 178.0506 63 S 4.0644 8.1425 112.7688 61.6616 62.2602 175.9691 64 N 4.4805 8.6879 119.2305 56.1436 37.7440 177.6779 65 S 4.1908 8.1497 117.1392 61.2074 62.6878 176.4619 66 K 4.0009 7.7273 121.2918 59.4082 32.2854 178.6299 67 L 4.1464 8.0108 119.2773 57.9096 41.6453 179.2008 68 F 4.1380 8.5969 121.0158 61.2184 39.0539 176.9332 69 R 4.0632 7.7177 113.5225 58.0944 29.6520 177.7575 70 Q 4.2278 7.9626 118.3051 55.8322 29.3020 175.5377 71 I 3.8693 6.6742 121.5085 62.1947 37.6691 176.4484 72 G 3.8602 8.8928 112.3273 45.1204 0.0000 173.2542 73 L 4.5206 6.8347 118.4769 53.6329 43.3917 176.8575 74 T 4.1490 8.2172 115.9624 63.9336 68.5658 175.0706 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 P 0.00 4.30 0.00 2.08 2.09 0.00 3.63 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.14 0.00 3 L 7.74 4.12 0.00 1.99 1.72 1.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 4 K 10.78 4.22 0.00 1.76 1.75 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.61 7.81 5 P 0.00 4.24 0.00 2.18 2.16 0.00 3.63 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 6 E 8.13 3.94 0.00 2.02 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 2.36 0.00 7 E 8.16 4.14 0.00 2.20 2.01 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 2.42 2.39 0.00 8 H 8.51 4.10 0.00 3.24 3.52 0.00 5.59 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.58 3.94 0.00 2.25 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 2.41 0.00 10 D 8.17 4.38 0.00 2.92 2.72 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 0.00 0.00 0.00 11 I 7.49 3.67 1.93 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.73 0.87 0.00 0.00 12 L 7.60 3.92 0.00 1.79 1.71 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.41 4.41 0.00 2.73 2.99 0.00 0.00 6.86 6.89 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 14 K 8.20 3.86 0.00 1.94 1.97 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.48 7.81 15 L 7.87 4.07 0.00 1.79 1.70 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.56 4.23 0.00 1.62 1.92 0.91 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 17 D 7.58 4.36 0.00 2.78 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 18 P 0.00 4.32 0.00 2.07 2.10 0.00 3.71 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 19 E 8.54 4.35 0.00 2.04 1.98 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 2.28 2.37 0.00 20 L 7.54 3.84 0.00 1.72 1.63 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.63 4.04 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.85 3.92 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 23 S 8.01 4.11 0.00 4.08 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 24 E 7.98 4.03 0.00 2.17 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 0.00 2.39 2.36 0.00 25 R 8.17 3.85 0.00 1.87 2.07 0.00 3.28 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 26 T 8.09 3.87 4.40 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 1.21 0.00 0.00 27 E 8.21 3.91 0.00 2.21 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 0.00 2.31 2.37 0.00 28 A 8.24 4.03 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.08 3.98 0.00 2.01 1.72 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 8.06 4.01 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.47 2.55 0.00 31 Q 8.16 4.04 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.64 0.00 32 L 7.94 4.05 0.00 1.86 1.71 0.85 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.10 3.91 0.00 1.96 2.14 0.00 3.12 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 34 V 8.18 3.62 2.12 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 0.97 0.00 0.00 1.01 0.00 0.00 35 N 8.41 4.34 0.00 2.97 3.10 0.00 0.00 6.88 7.10 0.00 0.00 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 Y 8.55 4.19 0.00 3.27 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 37 G 8.28 3.63 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 0.00 0.00 0.00 38 S 8.11 4.14 0.00 4.11 3.93 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 39 F 8.55 3.94 0.00 3.16 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 40 V 7.84 3.59 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 0.95 0.00 0.00 0.39 0.00 0.00 41 S 8.11 4.10 0.00 4.02 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 42 E 8.34 4.10 0.00 2.21 2.16 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 2.48 2.21 0.00 43 Y 8.16 4.08 0.00 3.35 3.30 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 0.00 44 N 8.40 4.25 0.00 2.96 2.84 0.00 0.00 7.04 7.64 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 45 D 8.00 4.28 0.00 2.84 2.68 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 0.00 0.00 0.00 0.00 46 L 8.07 3.93 0.00 1.79 1.68 0.90 1.12 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 47 T 7.61 3.70 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 1.07 0.00 0.00 48 K 8.10 4.12 0.00 1.89 1.83 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.44 7.81 49 S 8.19 4.16 0.00 4.03 4.28 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.12 4.12 0.00 3.32 3.44 0.00 5.59 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 51 E 8.42 3.98 0.00 2.18 1.98 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 2.34 2.63 0.00 52 K 7.90 3.88 0.00 1.93 1.97 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.53 1.46 7.81 53 L 8.03 3.91 0.00 1.78 1.63 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.20 3.92 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.96 3.94 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 56 E 8.51 3.93 0.00 2.12 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 2.30 0.00 57 K 8.37 3.89 0.00 1.77 1.93 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.46 7.81 58 D 8.00 4.33 0.00 2.88 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 59 D 8.15 4.32 0.00 2.89 2.81 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 0.00 0.00 0.00 60 L 8.14 4.03 0.00 1.86 1.69 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 61 I 8.04 3.74 1.99 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 1.64 0.82 0.89 0.00 0.00 62 V 7.80 3.55 2.25 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 1.00 0.00 0.00 0.97 0.00 0.00 63 S 8.14 4.06 0.00 4.01 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 64 N 8.69 4.48 0.00 2.81 2.86 0.00 0.00 7.12 7.61 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 65 S 8.15 4.19 0.00 4.06 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 66 K 7.73 4.00 0.00 1.75 2.03 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.50 7.81 67 L 8.01 4.15 0.00 2.09 1.77 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 68 F 8.60 4.14 0.00 3.27 3.11 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 69 R 7.72 4.06 0.00 2.02 2.10 0.00 3.14 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.67 0.00 70 Q 7.96 4.23 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.04 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 71 I 6.67 3.87 1.53 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 0.67 0.73 0.00 0.00 72 G 8.89 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 73 L 6.83 4.52 0.00 1.80 1.56 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 74 T 8.22 4.15 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 1.20 0.00 0.00