NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8534 8.3393 109.7373 41.8574 0.0000 175.2447 4 I 3.3123 8.6762 118.3393 61.5210 38.4963 173.7390 5 R 4.2558 8.4161 121.7858 55.7622 28.9555 177.6552 6 E 4.1710 8.5270 122.8251 56.4260 30.9699 176.4605 7 K 4.6930 8.5096 121.1381 56.5711 33.6107 176.3574 8 I 4.8989 9.5781 122.9775 59.7225 42.0840 174.0926 9 K 5.1683 8.1537 122.6921 55.2368 34.9203 175.5624 10 L 4.9264 9.6108 125.2490 53.3498 43.0228 175.9672 11 V 4.1941 8.2464 124.9676 61.9904 33.1675 175.2280 12 S 2.7900 7.8713 121.7651 57.5614 62.2141 174.3926 13 S 4.2554 8.3568 121.9064 61.2299 63.0780 175.1903 14 A 4.1484 7.9366 122.5521 51.3666 18.7868 178.1298 15 G 3.8278 8.6962 109.2756 48.5418 0.0000 174.2494 16 T 3.8855 7.1413 112.3405 62.6180 67.6196 173.8053 17 G 3.8449 8.4334 113.7179 46.4034 0.0000 173.6959 18 H 4.4725 7.9493 121.1213 56.9458 30.8610 173.9311 19 F 5.4111 8.1306 117.6286 56.0371 41.2490 172.6313 20 Y 4.5144 10.0170 117.9422 56.5112 41.2425 174.7363 21 T 5.1297 8.1150 114.3885 61.1835 70.6281 172.6082 22 T 4.4731 8.9328 121.7838 62.2132 71.9067 170.6747 23 T 5.4000 7.9373 112.1614 60.0963 71.9751 172.7722 24 K 4.1756 8.1175 119.3309 56.1151 35.6995 174.9595 25 N 4.5614 8.4055 124.6403 52.3093 37.6929 174.8857 26 K 3.8693 8.6806 126.7936 59.3169 32.3401 177.6364 27 R 3.9582 7.8480 117.1958 57.0941 29.6685 178.3697 28 T 3.7206 7.8622 112.4551 64.6436 69.8702 175.0511 29 K 4.3545 7.4939 129.2820 53.2800 31.8632 175.2228 30 P 4.3602 0.0000 0.0000 65.2590 31.5707 177.4649 31 E 4.0454 8.0759 114.9289 56.4361 29.7126 176.4723 32 K 4.7748 8.2163 118.9806 54.9670 34.0223 176.3619 33 L 4.1616 8.3549 124.0194 55.0790 42.6773 175.9617 34 E 5.3505 8.5460 123.9242 53.8983 32.9780 175.4751 35 L 4.3000 8.8895 121.0147 55.1485 41.0567 174.5007 36 K 4.5889 8.3794 120.8032 55.7780 31.9338 175.0644 37 K 4.0084 7.3487 114.0921 57.0574 37.1218 173.3600 38 F 4.9995 8.6432 123.6224 57.3410 41.0886 174.5693 39 D 4.1054 8.3055 128.5478 50.9282 40.6767 175.2242 40 P 3.6918 0.0000 0.0000 65.5249 30.8308 177.9170 41 V 3.3466 7.0685 107.3587 65.8414 31.7084 177.3516 42 V 3.6164 7.8055 120.3550 64.0748 31.8724 177.7675 43 R 4.3820 7.9160 116.1897 57.4052 28.2700 175.4969 44 Q 4.9430 7.7498 113.7440 54.2535 32.7354 174.9962 45 H 4.9227 9.1871 118.7395 56.6564 29.7382 174.8504 46 V 4.4138 8.9877 118.7849 60.9699 35.0720 172.0294 47 I 4.3821 8.2054 122.1073 62.0846 38.7131 174.8456 48 Y 4.8460 8.6727 121.3784 56.6103 41.6196 174.6991 49 K 4.7823 8.3355 127.2365 55.3249 35.8361 170.2878 50 E 3.7989 9.3622 128.6534 56.3913 29.6651 175.1482 51 A 4.4447 8.5152 129.1992 52.8023 20.1081 176.0363 52 K 4.1910 8.2988 125.6311 57.4404 32.3944 175.4981 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 G 8.34 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.68 3.31 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.40 0.91 0.00 0.00 5 R 8.42 4.26 0.00 1.73 1.97 0.00 3.36 0.00 0.00 3.23 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 6 E 8.53 4.17 0.00 1.93 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 2.41 2.37 0.00 7 K 8.51 4.69 0.00 1.67 1.77 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.49 7.81 8 I 9.58 4.90 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.87 0.98 0.00 0.00 9 K 8.15 5.17 0.00 2.05 1.96 0.00 1.63 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.59 1.50 7.81 10 L 9.61 4.93 0.00 1.94 2.19 1.02 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.25 4.19 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 0.93 0.00 0.00 12 S 7.87 2.79 0.00 3.71 3.56 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 0.00 0.00 0.00 13 S 8.36 4.26 0.00 3.88 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 14 A 7.94 4.15 1.26 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 0.00 0.00 0.00 15 G 8.70 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 16 T 7.14 3.89 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 1.26 0.00 0.00 17 G 8.43 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 0.00 0.00 0.00 18 H 7.95 4.47 0.00 3.25 3.18 0.00 5.56 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 8.13 5.41 0.00 3.30 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 20 Y 10.02 4.51 0.00 2.91 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 21 T 8.11 5.13 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 1.16 0.00 0.00 22 T 8.93 4.47 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 1.25 0.00 0.00 23 T 7.94 5.40 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 1.26 0.00 0.00 24 K 8.12 4.18 0.00 1.76 1.68 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.24 1.40 7.81 25 N 8.41 4.56 0.00 2.77 2.72 0.00 0.00 6.64 6.70 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 26 K 8.68 3.87 0.00 1.77 1.90 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.56 7.81 27 R 7.85 3.96 0.00 2.12 1.77 0.00 3.26 0.00 0.00 3.28 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 28 T 7.86 3.72 4.24 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 1.21 0.00 0.00 29 K 7.49 4.35 0.00 1.81 2.02 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.54 7.81 30 P 0.00 4.36 0.00 2.04 2.11 0.00 3.71 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 31 E 8.08 4.05 0.00 2.08 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 2.30 2.28 0.00 32 K 8.22 4.77 0.00 1.95 1.75 0.00 1.19 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.39 7.81 33 L 8.35 4.16 0.00 1.63 1.65 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.55 5.35 0.00 1.96 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 35 L 8.89 4.30 0.00 1.69 1.68 0.89 0.51 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 36 K 8.38 4.59 0.00 1.97 2.03 0.00 1.92 0.00 0.00 2.39 0.00 0.00 2.83 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.47 7.81 37 K 7.35 4.01 0.00 0.91 1.19 0.00 0.99 0.00 0.00 0.61 0.00 0.00 2.47 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.33 0.76 7.81 38 F 8.64 5.00 0.00 2.39 2.78 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 39 D 8.31 4.11 0.00 2.47 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 40 P 0.00 3.69 0.00 2.04 2.09 0.00 3.18 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.88 0.00 41 V 7.07 3.35 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 0.64 0.00 0.00 0.89 0.00 0.00 42 V 7.81 3.62 2.24 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 1.00 0.00 0.00 1.00 0.00 0.00 43 R 7.92 4.38 0.00 2.11 2.15 0.00 3.21 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.04 0.00 44 Q 7.75 4.94 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.64 6.91 0.00 0.00 0.00 0.00 0.00 2.65 2.53 0.00 45 H 9.19 4.92 0.00 3.08 3.34 0.00 5.93 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.99 4.41 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 0.95 0.00 0.00 0.98 0.00 0.00 47 I 8.21 4.38 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 1.39 0.51 0.97 0.00 0.00 48 Y 8.67 4.85 0.00 2.85 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 K 8.34 4.78 0.00 1.81 1.70 0.00 1.83 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.42 7.81 50 E 9.36 3.80 0.00 2.15 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 2.19 2.24 0.00 51 A 8.52 4.44 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 52 K 8.30 4.19 0.00 1.85 1.75 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.43 7.81