NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.4055 0.0000 0.0000 62.3031 31.8616 175.3771 4 R 4.4196 7.8590 122.4329 52.5685 33.6501 172.7022 5 P 4.1616 0.0000 0.0000 66.0560 31.9917 178.0478 6 L 4.0825 7.8585 116.7903 57.2541 41.6998 179.0425 7 D 4.3572 7.8752 118.7716 57.3631 40.6808 178.6518 8 V 3.5665 8.1196 117.8107 65.8799 31.5622 177.7097 9 L 3.9310 7.2766 117.5099 57.1912 40.8943 178.5818 10 N 4.6276 7.8599 116.7117 55.6814 38.6588 176.0708 11 R 4.5621 7.7687 115.8917 56.2294 30.1968 176.7769 12 S 4.6676 7.5368 113.8335 58.0455 64.4549 174.0150 13 L 4.3423 7.3459 120.2077 56.2343 41.7006 178.1529 14 K 4.0916 9.5284 121.9278 56.7085 31.5518 176.2838 15 S 4.8607 7.6112 115.8209 56.1450 64.8380 172.3159 16 P 4.8434 0.0000 0.0000 63.9391 32.4770 175.2601 17 V 5.0340 9.1153 113.5523 60.8539 37.3606 172.8553 18 I 4.6872 9.0907 122.3975 59.8321 39.7415 175.2744 19 V 4.6098 8.7660 128.2559 61.2293 33.3444 174.3136 20 R 4.4741 8.3489 129.5000 54.9414 31.5401 175.0462 21 L 5.2335 8.1911 124.4652 52.3087 46.0604 175.9872 22 K 4.0880 8.4704 119.9984 57.9600 32.0873 176.0331 23 G 4.0946 8.5726 111.3394 46.8260 0.0000 173.7148 24 G 3.6368 7.0778 106.3616 44.9244 0.0000 173.5464 25 R 4.7966 7.7869 119.7902 55.4530 32.5499 174.7299 26 E 5.0788 8.5284 119.7693 55.3181 33.7416 173.6917 27 F 5.2335 9.3392 123.1539 55.7034 43.1153 174.0965 28 R 4.9702 8.5606 122.0646 55.0185 32.8223 175.5083 29 G 4.0597 8.2677 110.7155 46.3849 0.0000 170.9194 30 T 4.9696 8.1454 110.6409 59.6306 70.9459 173.7661 31 L 4.0079 8.6653 128.6647 55.7863 42.5293 176.2311 32 D 4.7429 9.7595 127.0780 53.3728 42.0814 175.9806 33 G 4.3111 7.5785 106.7272 47.6359 0.0000 170.7956 34 Y 5.9758 7.7455 117.3127 57.6992 40.7202 171.9457 35 D 4.6414 8.1992 117.5953 51.6590 42.7177 175.7036 36 I 3.6838 8.4501 118.7871 65.2416 36.5889 177.3010 37 H 4.4159 7.9167 115.0170 56.6782 28.6729 175.7825 38 M 3.2047 8.5788 119.2648 56.1981 29.7294 175.9317 39 N 4.8601 8.8191 116.6255 53.4061 39.9392 174.4854 40 L 5.3301 9.0884 122.3346 52.9303 46.0305 175.7253 41 V 4.7050 8.6911 120.2760 61.4766 34.1363 174.4845 42 L 5.2873 8.7060 127.9491 53.1247 44.9270 175.6532 43 L 5.1387 8.1783 119.7823 53.4092 45.7697 176.2308 44 D 4.4978 8.5762 120.6726 55.6358 38.8322 173.3170 45 A 5.2588 8.2696 120.7775 50.5167 22.6299 177.0803 46 E 5.0250 9.2159 120.1247 54.5277 32.9173 174.6974 47 E 4.0821 8.8108 124.9397 54.4712 31.5941 174.4196 48 I 4.8896 8.4864 128.3286 59.5176 40.1143 174.5403 49 Q 4.6594 9.0187 127.3390 54.9693 32.5630 174.7143 50 N 4.1457 9.1753 122.1470 54.3717 36.9388 175.1119 51 G 3.9395 8.5558 102.0698 45.9512 0.0000 173.8409 52 E 4.6184 8.5429 118.7591 53.6740 33.1288 175.5088 53 V 4.0220 8.4037 123.1748 63.4964 32.0449 175.8225 54 V 4.3949 9.4287 119.3052 59.6718 33.1060 175.1167 55 R 4.5523 7.1777 122.5191 56.6287 32.9877 172.7300 56 K 5.0573 8.2087 122.9252 55.4480 35.1350 175.2781 57 V 4.5438 9.1729 120.3647 59.3639 35.7870 176.9488 58 G 3.7810 8.8625 110.6514 49.4281 0.0000 173.3903 59 S 5.7557 7.6249 111.4817 58.3190 65.7746 174.9377 60 V 4.4478 8.0801 113.9710 59.9604 36.1691 173.7202 61 V 4.5618 8.3198 124.5953 61.5382 32.8138 174.7637 62 I 4.4617 8.7223 128.9825 59.3957 40.2551 175.2377 63 R 4.6461 8.4653 125.3624 55.2682 30.9027 177.6851 64 G 3.9836 9.2995 112.8278 47.3393 0.0000 174.7465 65 D 4.3458 8.2084 118.2220 57.2921 41.4096 177.2255 66 T 4.2337 8.1813 114.9904 64.4350 69.1286 175.1083 67 V 4.1449 7.5036 121.5551 62.9355 32.2288 174.8379 68 V 4.3746 8.5240 126.0886 64.0252 32.7986 175.4414 69 F 5.0248 7.1608 112.8746 55.8669 41.0492 172.4268 70 V 5.1795 8.5988 119.4776 61.2406 34.3242 174.8377 71 S 4.8372 9.2058 121.8207 55.7546 66.3534 171.5719 72 P 4.7546 0.0000 0.0000 62.8824 31.8499 176.0615 73 A 4.4348 8.3706 124.0818 52.0226 18.7786 176.1043 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 P 0.00 4.41 0.00 2.05 2.10 0.00 3.58 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 1.92 2.07 0.00 4 R 7.86 4.42 0.00 1.93 1.83 0.00 3.27 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.92 0.00 5 P 0.00 4.16 0.00 2.18 2.10 0.00 3.64 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.22 0.00 6 L 7.86 4.08 0.00 1.72 1.81 0.98 1.18 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 7 D 7.88 4.36 0.00 3.03 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 8 V 8.12 3.57 2.17 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 0.80 0.00 0.00 0.92 0.00 0.00 9 L 7.28 3.93 0.00 1.21 0.54 0.59 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 10 N 7.86 4.63 0.00 2.99 2.98 0.00 0.00 6.84 7.41 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 11 R 7.77 4.56 0.00 2.00 2.00 0.00 3.05 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.66 0.00 12 S 7.54 4.67 0.00 3.92 3.84 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 13 L 7.35 4.34 0.00 1.73 1.67 1.02 1.07 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 14 K 9.53 4.09 0.00 1.84 2.02 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.42 7.81 15 S 7.61 4.86 0.00 3.99 3.77 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 0.00 0.00 0.00 0.00 16 P 0.00 4.84 0.00 2.13 2.20 0.00 3.72 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.02 0.00 17 V 9.12 5.03 2.20 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 0.73 0.00 0.00 1.00 0.00 0.00 18 I 9.09 4.69 2.02 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.84 1.01 0.00 0.00 19 V 8.77 4.61 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 0.99 0.00 0.00 0.94 0.00 0.00 20 R 8.35 4.47 0.00 0.67 0.66 0.00 2.94 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.32 0.00 21 L 8.19 5.23 0.00 1.62 1.61 1.11 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.47 4.09 0.00 1.65 1.74 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.53 7.81 23 G 8.57 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.08 3.64 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 0.00 0.00 0.00 25 R 7.79 4.80 0.00 1.77 1.76 0.00 3.16 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.61 0.00 26 E 8.53 5.08 0.00 1.95 1.65 0.00 0.00 0.00 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 2.33 0.00 27 F 9.34 5.23 0.00 2.98 2.86 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 28 R 8.56 4.97 0.00 1.77 1.85 0.00 3.16 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 29 G 8.27 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 0.00 0.00 0.00 30 T 8.15 4.97 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 1.23 0.00 0.00 31 L 8.67 4.01 0.00 1.84 1.80 1.01 0.99 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 32 D 9.76 4.74 0.00 2.65 2.75 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 0.00 0.00 0.00 0.00 33 G 7.58 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 0.00 0.00 0.00 0.00 34 Y 7.75 5.98 0.00 2.94 2.92 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 35 D 8.20 4.64 0.00 2.79 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 36 I 8.45 3.68 1.62 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.38 0.87 0.00 0.00 37 H 7.92 4.42 0.00 3.30 3.34 0.00 5.69 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 38 M 8.58 3.20 0.00 2.27 2.25 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 39 N 8.82 4.86 0.00 2.88 2.83 0.00 0.00 6.85 7.05 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 40 L 9.09 5.33 0.00 1.46 1.53 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.69 4.71 2.17 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 0.96 0.00 0.00 0.91 0.00 0.00 42 L 8.71 5.29 0.00 1.55 1.53 0.92 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.18 5.14 0.00 1.58 1.51 1.01 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.58 4.50 0.00 2.74 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 45 A 8.27 5.26 1.40 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 0.00 0.00 0.00 46 E 9.22 5.02 0.00 1.91 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 2.27 0.00 47 E 8.81 4.08 0.00 1.55 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.47 0.00 48 I 8.49 4.89 1.77 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.66 0.89 0.00 0.00 49 Q 9.02 4.66 0.00 2.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.18 0.00 0.00 0.00 0.00 0.00 2.20 2.31 0.00 50 N 9.18 4.15 0.00 2.96 2.83 0.00 0.00 7.03 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 51 G 8.56 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 0.00 0.00 0.00 52 E 8.54 4.62 0.00 1.98 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 0.00 2.20 2.39 0.00 53 V 8.40 4.02 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 0.78 0.00 0.00 0.90 0.00 0.00 54 V 9.43 4.39 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 0.76 0.00 0.00 0.89 0.00 0.00 55 R 7.18 4.55 0.00 1.91 1.84 0.00 3.29 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.39 0.00 56 K 8.21 5.06 0.00 1.76 1.63 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.65 7.81 57 V 9.17 4.54 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 0.73 0.00 0.00 1.03 0.00 0.00 58 G 8.86 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.62 5.76 0.00 3.90 3.80 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 60 V 8.08 4.45 1.76 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 0.67 0.00 0.00 0.63 0.00 0.00 61 V 8.32 4.56 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 0.76 0.00 0.00 0.90 0.00 0.00 62 I 8.72 4.46 1.74 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.15 0.82 0.00 0.00 63 R 8.47 4.65 0.00 1.82 1.85 0.00 3.50 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.55 0.00 64 G 9.30 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 65 D 8.21 4.35 0.00 2.64 2.73 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 66 T 8.18 4.23 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 1.22 0.00 0.00 67 V 7.50 4.14 2.22 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 0.71 0.00 0.00 0.97 0.00 0.00 68 V 8.52 4.37 1.92 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 1.00 0.00 0.00 0.91 0.00 0.00 69 F 7.16 5.02 0.00 3.10 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 70 V 8.60 5.18 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 0.88 0.00 0.00 0.94 0.00 0.00 71 S 9.21 4.84 0.00 3.89 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 72 P 0.00 4.75 0.00 2.10 2.11 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 73 A 8.37 4.43 1.25 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 0.00 0.00 0.00