NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4902 0.0000 0.0000 62.6401 33.3257 174.7930 2 I 4.8894 8.3533 122.5443 58.9658 40.1589 173.0888 3 A 4.7566 9.3167 129.0494 50.0145 22.2213 174.2193 4 Q 4.9189 8.7727 123.4540 54.2821 31.5132 174.4839 5 I 4.4878 9.1409 127.8019 59.8780 39.9440 174.1434 6 H 5.3144 8.8528 124.8062 54.3262 29.9672 174.5573 7 I 4.6559 8.4024 116.0086 58.7310 41.3447 174.8316 8 L 4.6280 8.3350 123.1152 54.4285 42.2627 176.9013 9 E 4.1750 8.5283 120.3795 57.0814 29.8888 175.7672 10 G 3.7815 9.0905 111.4196 46.2631 0.0000 175.2479 11 R 4.0500 7.7434 118.1021 55.9232 30.9544 176.8092 12 S 4.5510 8.1336 114.5881 57.7660 65.7355 175.0949 13 D 4.4187 8.4356 120.8146 57.1716 40.4815 178.9044 14 E 3.9912 8.0651 119.0697 59.4509 29.5080 179.1193 15 Q 4.0216 7.9104 118.0439 58.8815 28.6936 178.9305 16 K 4.0117 8.0035 119.2938 59.2123 32.1545 179.0922 17 E 3.9043 8.3156 119.7431 59.5312 29.4987 179.0356 18 T 3.8498 7.9247 115.8008 66.4104 68.4335 176.2118 19 L 3.9902 8.2204 122.6342 58.5295 41.9697 179.2385 20 I 3.6741 7.9567 119.6237 64.1517 36.9241 178.5254 21 R 3.9151 7.8242 119.3708 59.3278 30.0185 178.3721 22 E 3.9479 8.9908 119.3644 59.4769 29.3980 179.5767 23 V 3.6238 8.0874 118.5256 65.8792 31.4664 178.3182 24 S 4.0978 7.8774 115.0157 61.6585 62.7283 176.4867 25 E 3.9290 8.1985 121.0312 59.3010 29.2127 179.2514 26 A 4.0110 8.1191 120.7718 55.2479 18.4686 179.8126 27 I 3.6580 8.0014 118.4630 64.4745 37.1799 178.5410 28 S 4.0939 8.2480 114.1284 61.5151 61.6828 176.5529 29 R 3.9029 8.4731 120.9936 59.4019 29.6320 179.1524 30 S 4.1416 7.9458 113.5807 61.1991 62.8672 175.3838 31 L 4.3241 7.8849 116.7569 53.6918 42.6942 175.5204 32 D 4.3440 7.4763 116.4329 55.5214 39.5900 172.4093 33 A 4.8451 7.8192 121.3643 49.1165 22.6729 174.7510 34 P 4.3352 0.0000 0.0000 62.4503 32.1067 177.2798 35 L 3.9535 8.7767 124.3615 58.3775 42.0434 178.7357 36 T 4.0814 7.8657 106.9700 63.3638 68.8585 174.8244 37 S 4.4257 7.9020 115.8572 58.6417 63.8119 174.0932 38 V 4.1474 7.4363 122.3484 62.6196 31.8956 175.2417 39 R 4.7556 8.7233 127.0075 54.4050 32.9421 175.2512 40 V 4.8355 8.2958 121.8722 61.1846 34.5640 174.3300 41 I 4.4922 9.2299 128.7735 59.5686 39.8651 174.4157 42 I 4.6509 8.3920 127.8632 60.0421 38.8663 175.0607 43 T 4.4847 8.9749 124.9005 61.7384 70.5948 173.4794 44 E 4.9079 8.7605 126.3913 55.7314 31.1350 175.5869 45 M 4.7609 8.8246 123.6066 53.2979 34.8364 175.4671 46 A 4.5520 8.5319 124.7708 51.5650 19.3681 178.6777 47 K 4.0032 9.2692 121.3085 59.3784 32.2725 178.4674 48 G 3.8925 7.9840 104.8345 46.3329 0.0000 173.4734 49 H 4.9724 8.7060 116.0584 55.1302 29.5990 173.5977 50 F 5.1391 8.1698 122.7158 56.1753 41.5835 173.9431 51 G 4.2093 8.1458 115.7760 43.5047 0.0000 171.9614 52 I 4.0956 7.8071 121.8105 60.0365 39.9587 176.2723 53 G 3.6519 9.8134 112.6405 46.3520 0.0000 174.4107 54 G 3.9265 8.4615 108.1295 44.5762 0.0000 173.8083 55 E 4.6586 7.6357 119.1944 53.9957 31.9339 175.7372 56 L 4.5005 8.1575 121.4404 54.6780 42.4842 178.4224 57 A 4.1274 8.8866 124.0704 54.9793 18.0408 180.5260 58 S 3.9015 8.0861 111.8201 60.9492 63.2484 175.8394 59 K 4.3762 7.6807 120.1624 56.7898 32.3706 177.3500 60 V 4.4431 7.3912 115.0314 60.8803 32.6112 174.7624 61 R 4.7095 8.6196 119.0533 54.3893 34.3686 175.0314 62 R 4.0728 8.4990 117.9179 56.8486 30.0770 176.0748 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 1 P 0.00 4.49 0.00 2.13 2.24 0.00 3.60 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 1.97 2.01 0.00 2 I 8.35 4.89 1.87 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 1.27 0.79 0.91 0.00 0.00 3 A 9.32 4.76 1.19 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 4 Q 8.77 4.92 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.65 0.00 0.00 0.00 0.00 0.00 2.15 2.28 0.00 5 I 9.14 4.49 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.62 0.88 0.00 0.00 6 H 8.85 5.31 0.00 2.90 3.08 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.40 4.66 1.82 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 1.17 1.27 0.86 0.00 0.00 8 L 8.34 4.63 0.00 1.52 1.63 1.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.53 4.17 0.00 1.97 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 0.00 2.30 2.27 0.00 10 G 9.09 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 11 R 7.74 4.05 0.00 1.78 1.87 0.00 3.24 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 12 S 8.13 4.55 0.00 4.27 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 13 D 8.44 4.42 0.00 2.70 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 14 E 8.07 3.99 0.00 2.05 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 2.39 2.45 0.00 15 Q 7.91 4.02 0.00 2.15 2.14 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 2.37 2.39 0.00 16 K 8.00 4.01 0.00 1.96 1.84 0.00 1.65 0.00 0.00 1.55 0.00 0.00 3.14 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.67 7.81 17 E 8.32 3.90 0.00 2.28 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 2.30 2.34 0.00 18 T 7.92 3.85 4.39 0.00 0.00 0.00 0.00 0.00 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 19 L 8.22 3.99 0.00 1.80 1.88 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.96 3.67 1.99 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 1.39 1.17 0.90 0.00 0.00 21 R 7.82 3.92 0.00 2.02 2.07 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 22 E 8.99 3.95 0.00 2.00 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 2.51 2.45 0.00 23 V 8.09 3.62 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 1.10 0.00 0.00 0.94 0.00 0.00 24 S 7.88 4.10 0.00 3.98 3.89 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 0.00 0.00 0.00 25 E 8.20 3.93 0.00 1.99 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 2.38 2.54 0.00 26 A 8.12 4.01 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 27 I 8.00 3.66 1.87 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 1.40 1.01 0.91 0.00 0.00 28 S 8.25 4.09 0.00 3.92 4.05 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 29 R 8.47 3.90 0.00 1.84 1.96 0.00 3.19 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 30 S 7.95 4.14 0.00 4.05 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 31 L 7.88 4.32 0.00 1.71 1.69 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 32 D 7.48 4.34 0.00 2.81 2.66 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 0.00 0.00 0.00 0.00 33 A 7.82 4.85 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.34 0.00 2.23 2.20 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 35 L 8.78 3.95 0.00 1.74 1.72 0.92 0.76 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 36 T 7.87 4.08 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 37 S 7.90 4.43 0.00 4.01 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 38 V 7.44 4.15 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 0.76 0.00 0.00 0.93 0.00 0.00 39 R 8.72 4.76 0.00 1.79 1.78 0.00 3.11 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 40 V 8.30 4.84 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 0.80 0.00 0.00 0.92 0.00 0.00 41 I 9.23 4.49 1.84 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 1.21 0.79 0.88 0.00 0.00 42 I 8.39 4.65 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.53 0.87 0.00 0.00 43 T 8.97 4.48 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 1.14 0.00 0.00 44 E 8.76 4.91 0.00 1.82 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 2.24 2.30 0.00 45 M 8.82 4.76 0.00 1.93 1.85 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.47 0.00 46 A 8.53 4.55 1.12 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 0.00 0.00 47 K 9.27 4.00 0.00 1.86 1.93 0.00 1.71 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.44 7.81 48 G 7.98 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 49 H 8.71 4.97 0.00 3.24 3.35 0.00 5.62 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.17 5.14 0.00 2.96 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 51 G 8.15 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.81 4.10 1.72 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.22 0.83 0.00 0.00 53 G 9.81 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.46 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 0.00 0.00 0.00 55 E 7.64 4.66 0.00 2.01 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 2.21 2.21 0.00 56 L 8.16 4.50 0.00 1.70 1.60 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.89 4.13 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 0.00 0.00 0.00 0.00 0.00 58 S 8.09 3.90 0.00 4.05 4.03 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 0.00 0.00 0.00 59 K 7.68 4.38 0.00 1.92 1.89 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.43 7.81 60 V 7.39 4.44 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 0.75 0.00 0.00 0.92 0.00 0.00 61 R 8.62 4.71 0.00 1.94 1.87 0.00 3.40 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 62 R 8.50 4.07 0.00 1.78 1.82 0.00 3.27 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00