NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4881 8.3349 115.4284 57.7262 64.5532 172.9783 8 D 4.7165 8.4069 121.2434 53.0097 42.0730 174.2635 9 F 5.3911 8.8293 114.9945 55.6122 41.7876 173.7258 10 V 4.4943 9.0305 112.6999 59.5553 35.3205 174.7713 11 V 4.8998 8.5118 123.0677 61.3094 34.1719 174.4885 12 I 5.0342 8.9142 127.9211 59.4836 41.0497 173.9891 13 K 5.0209 9.1555 129.1635 54.1915 34.4876 175.0190 14 A 4.4076 8.5773 130.0839 52.3122 19.0229 177.3539 15 L 4.5845 8.5157 122.5114 54.4958 42.3647 176.2580 16 E 4.7010 7.5318 114.9188 55.4176 31.6841 175.0365 17 D 4.4313 8.5538 119.8653 55.5047 41.4260 176.5011 18 G 3.8523 8.5092 109.5281 46.3993 0.0000 174.2637 19 V 3.9211 7.6821 119.3524 62.7232 33.0582 174.4165 20 N 5.3990 9.0982 123.2979 51.3760 41.9937 173.6664 21 V 4.6031 8.6125 123.3810 61.3742 33.8711 174.0601 22 I 4.7430 8.7893 130.0608 59.3089 39.8011 175.2315 23 G 4.1248 8.7838 114.9010 45.1165 0.0000 172.3545 24 L 5.5797 8.4351 123.8961 52.4484 44.5872 176.2288 25 T 4.4491 8.9831 114.5257 62.2632 69.1601 173.9616 26 R 4.3637 7.5243 123.8383 56.5759 31.1859 174.8153 27 G 3.6914 8.8707 108.9217 44.0902 0.0000 173.1305 28 A 4.0787 8.6294 120.8225 55.1347 18.4453 178.1936 29 D 4.4303 7.9218 114.2113 54.4232 41.8552 175.3510 30 T 4.7516 8.3490 122.3658 62.0471 71.1132 173.0495 31 R 4.6551 9.1913 122.6802 54.5889 33.7876 174.1159 32 F 5.1900 8.7183 118.8726 58.0346 38.8891 175.3442 33 H 4.9708 8.7857 118.4739 56.2375 30.3891 174.0869 34 H 4.6417 7.5292 116.3803 55.3109 33.1994 172.5124 35 S 4.6432 8.1194 118.9210 56.3571 64.8037 172.7506 36 E 4.2211 8.7598 130.2694 55.2188 30.3621 175.1380 37 K 4.7275 8.5816 129.3128 55.8481 33.4011 175.6134 38 L 4.9611 9.0781 127.5556 53.2056 44.6812 175.8138 39 D 5.0233 9.8712 123.8820 51.8801 43.9890 175.7686 40 K 3.8891 8.5940 120.7902 58.7418 32.2248 176.4135 41 G 4.0644 9.1119 115.5629 45.3199 0.0000 173.6272 42 E 4.2187 8.0570 119.1375 56.3766 30.7619 176.1646 43 V 4.8503 8.2809 121.7818 61.0063 34.2981 174.2446 44 L 4.7811 9.5019 130.2843 53.2375 44.9392 174.8348 45 I 4.9718 8.4719 126.1429 59.6040 39.3553 174.7178 46 A 4.7512 9.1700 128.8094 50.2383 22.5620 174.9550 47 Q 4.9079 8.5255 119.0860 54.3913 31.2603 175.3131 48 F 4.5222 8.4934 120.6731 57.7022 39.2511 175.5147 49 T 4.7738 8.7520 113.2263 60.0736 71.5909 173.7641 50 E 4.0470 8.9403 120.5424 59.4031 29.6930 177.7980 51 H 4.5661 7.8080 111.5520 56.1501 29.8742 174.5545 52 T 5.0067 8.1097 116.7236 61.9876 70.5929 173.9369 53 S 5.0924 8.8655 119.5364 57.9774 64.8523 173.4035 54 A 5.0179 7.9582 121.4634 51.0914 22.5601 175.1801 55 I 4.9830 8.5863 120.7317 59.2758 40.7773 174.8393 56 K 4.5614 8.8745 127.2106 54.5387 34.9809 174.5737 57 V 4.7937 8.4088 126.9502 61.2043 33.3448 174.5505 58 R 4.5156 8.8721 127.8190 55.4296 32.9508 174.7064 59 G 4.0943 9.0460 111.7520 43.9526 0.0000 172.8969 60 K 4.9978 9.0404 120.0455 55.3370 32.9145 175.5917 61 A 5.1977 8.8352 128.4391 50.5474 23.6396 173.3526 62 Y 4.9254 9.2416 120.3873 55.9122 41.3069 174.5796 63 I 5.1660 8.1510 126.8393 59.5732 41.1774 174.4019 64 Q 5.0813 9.0176 124.7605 54.4995 32.2726 174.8753 65 T 4.6395 8.4829 112.0258 60.1296 72.3458 174.3758 66 R 3.7042 8.5385 120.3414 59.6467 30.0056 176.9547 67 H 4.6553 8.7326 112.0135 55.6074 29.4220 175.6299 68 G 3.9305 6.2387 107.0864 44.2147 0.0000 172.2776 69 V 4.8433 7.6569 112.5809 59.6734 34.6091 175.4846 70 I 4.5012 8.2839 122.4853 59.6236 41.9100 173.2374 71 E 4.9922 8.6483 128.0117 54.8644 30.9505 175.7391 72 S 4.7381 8.7270 119.6878 57.2999 65.5640 172.7789 73 E 4.8761 8.4606 121.0902 54.3805 32.5750 175.3571 74 G 3.9248 8.6836 113.0354 45.0935 0.0000 173.4733 75 K 4.2369 8.4200 119.9040 56.5628 32.2508 176.5134 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 7 S 8.33 4.49 0.00 4.09 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 8 D 8.41 4.72 0.00 2.90 2.83 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 9 F 8.83 5.39 0.00 3.05 2.94 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 10 V 9.03 4.49 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 0.60 0.00 0.00 0.86 0.00 0.00 11 V 8.51 4.90 2.18 0.00 0.00 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 1.15 0.00 0.00 12 I 8.91 5.03 1.87 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 1.09 0.76 0.92 0.00 0.00 13 K 9.16 5.02 0.00 1.84 1.76 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.37 7.81 14 A 8.58 4.41 1.31 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 15 L 8.52 4.58 0.00 1.66 1.73 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.53 4.70 0.00 2.01 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.26 0.00 17 D 8.55 4.43 0.00 2.69 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 18 G 8.51 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 19 V 7.68 3.92 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 0.93 0.00 0.00 0.99 0.00 0.00 20 N 9.10 5.40 0.00 2.56 2.56 0.00 0.00 6.54 8.40 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 21 V 8.61 4.60 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 0.92 0.00 0.00 0.90 0.00 0.00 22 I 8.79 4.74 1.38 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.31 -0.19 0.00 0.00 23 G 8.78 4.12 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 0.00 24 L 8.44 5.58 0.00 1.77 1.69 1.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.98 4.45 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 1.38 0.00 0.00 26 R 7.52 4.36 0.00 1.94 1.95 0.00 3.21 0.00 0.00 3.08 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.00 27 G 8.87 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.63 4.08 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 29 D 7.92 4.43 0.00 2.64 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 8.35 4.75 4.25 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 1.26 0.00 0.00 31 R 9.19 4.66 0.00 1.75 1.98 0.00 2.81 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 32 F 8.72 5.19 0.00 2.92 2.85 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 33 H 8.79 4.97 0.00 3.15 3.48 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.53 4.64 0.00 3.28 3.09 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.12 4.64 0.00 3.71 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.76 4.22 0.00 2.20 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 2.29 2.29 0.00 37 K 8.58 4.73 0.00 1.78 1.67 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.45 7.81 38 L 9.08 4.96 0.00 1.55 1.52 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.87 5.02 0.00 2.53 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 40 K 8.59 3.89 0.00 1.81 1.76 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.54 7.81 41 G 9.11 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 42 E 8.06 4.22 0.00 2.00 1.88 0.00 0.00 0.00 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 2.38 0.00 43 V 8.28 4.85 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 0.80 0.00 0.00 1.00 0.00 0.00 44 L 9.50 4.78 0.00 1.70 1.45 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.47 4.97 1.79 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 0.79 0.79 0.00 0.00 46 A 9.17 4.75 1.11 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 0.00 0.00 47 Q 8.53 4.91 0.00 1.95 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.88 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 48 F 8.49 4.52 0.00 3.09 3.02 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 49 T 8.75 4.77 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 1.31 0.00 0.00 50 E 8.94 4.05 0.00 1.95 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 2.01 2.19 0.00 51 H 7.81 4.57 0.00 3.30 3.22 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.11 5.01 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 53 S 8.87 5.09 0.00 3.90 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 54 A 7.96 5.02 1.31 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 55 I 8.59 4.98 1.83 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.64 0.83 0.00 0.00 56 K 8.87 4.56 0.00 1.77 1.48 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.25 1.34 7.81 57 V 8.41 4.79 2.06 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 0.80 0.00 0.00 0.90 0.00 0.00 58 R 8.87 4.52 0.00 1.88 1.67 0.00 3.11 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 59 G 9.05 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 60 K 9.04 5.00 0.00 1.89 1.90 0.00 1.64 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.26 7.81 61 A 8.84 5.20 1.23 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 0.00 0.00 0.00 62 Y 9.24 4.93 0.00 3.06 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 63 I 8.15 5.17 1.86 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 1.20 0.65 0.85 0.00 0.00 64 Q 9.02 5.08 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.52 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 65 T 8.48 4.64 4.15 0.00 0.00 0.00 0.00 0.00 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 66 R 8.54 3.70 0.00 1.56 1.61 0.00 3.18 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 67 H 8.73 4.66 0.00 3.22 3.27 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 6.24 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 69 V 7.66 4.84 1.67 0.00 0.00 0.00 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 0.87 0.00 0.00 70 I 8.28 4.50 1.79 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 1.17 1.53 0.83 0.00 0.00 71 E 8.65 4.99 0.00 1.86 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 72 S 8.73 4.74 0.00 3.90 3.95 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 73 E 8.46 4.88 0.00 1.92 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 2.18 2.35 0.00 74 G 8.68 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 75 K 8.42 4.24 0.00 1.73 1.71 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.44 7.81