NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5734 8.3049 120.3675 55.7056 32.9626 170.8183 2 I 2.8737 7.7729 128.5154 59.2330 38.5297 169.3366 3 V 2.9108 8.5295 126.5950 62.6962 32.8333 173.0825 4 P 4.5706 0.0000 0.0000 61.3876 33.2370 175.2413 5 V 3.8471 8.1109 122.9967 63.6485 32.3200 174.2754 6 R 4.0762 8.6610 126.0335 55.4495 29.3623 175.5552 7 C 4.0619 8.5263 120.7695 59.7846 31.2231 174.5654 8 F 3.9830 7.7551 127.1741 60.5135 38.1995 177.3931 9 S 4.1427 7.6037 114.4079 60.6435 63.0831 174.6289 10 C 4.1874 7.8605 119.8488 58.3012 30.7191 174.5652 11 G 4.0161 8.7521 108.2271 45.2678 0.0000 173.8899 12 K 3.8077 8.0949 120.0161 56.1753 32.7671 175.8183 13 V 4.0796 7.9510 122.4140 63.1640 32.4978 175.3030 14 V 4.4351 8.3555 120.2736 64.7217 36.3935 177.3650 15 G 3.8996 7.3108 106.0670 47.7652 0.0000 173.8727 16 D 4.6112 8.5382 120.0912 55.6696 40.3695 178.6397 17 K 4.2351 8.0763 117.5537 57.8952 31.9267 177.8796 18 W 4.9540 8.4342 129.0544 61.1170 30.1757 177.1454 19 E 3.8486 8.3542 120.5238 59.5587 29.5260 179.3309 20 S 4.2730 8.1015 114.5811 62.0943 62.9180 175.6206 21 Y 4.1087 8.6295 122.5767 60.2347 38.4388 177.3009 22 L 3.1434 7.7242 121.9905 56.8883 42.5113 177.9375 23 N 4.4679 7.7796 116.1609 56.3598 39.2563 176.2890 24 L 4.1477 7.4165 117.2763 56.7041 41.5449 177.8470 25 L 4.3324 7.9130 119.0672 55.2183 43.1735 178.1122 26 Q 3.8356 8.0712 123.5799 59.5359 29.4349 178.2123 27 E 4.2040 7.7233 116.3787 58.9234 30.2234 177.4395 28 D 4.5318 8.1201 115.2352 55.2509 40.9086 177.8807 29 E 4.2043 7.0467 113.6589 57.0608 26.2273 173.8286 30 L 4.8119 7.8731 124.0339 52.4060 45.8455 175.5570 31 D 4.7707 8.4036 118.7163 53.0256 40.3394 177.3068 32 E 3.8711 8.1811 123.1282 58.6560 29.9418 179.3817 33 G 3.9952 8.2711 105.2959 48.7469 0.0000 175.3137 34 T 4.0974 8.0968 116.6735 65.9596 68.8838 176.4760 35 A 4.2126 8.0942 122.2992 55.3906 18.3098 179.1967 36 L 3.9102 7.9962 117.0890 58.4630 41.4418 179.9271 37 S 3.9925 7.7395 113.5908 61.8457 62.5433 176.7865 38 R 4.0925 7.8395 119.9476 58.0665 29.8982 176.7290 39 L 4.4069 8.3469 117.6131 54.4097 41.6890 177.5976 40 G 3.8662 7.8770 107.1012 45.3182 0.0000 174.5003 41 L 4.2016 7.5476 119.3359 54.1801 40.6671 176.1922 42 K 4.1926 8.5615 125.4116 57.8145 33.1107 177.2299 43 R 4.6416 7.5263 114.5355 54.3520 31.2529 176.6354 44 Y 4.2750 8.7374 118.0533 60.2804 38.2063 178.0505 45 C 4.2713 7.5507 115.1086 61.7197 29.5857 175.5679 46 C 4.2286 7.9470 119.1927 62.2525 28.0450 175.9647 47 R 3.9215 8.4726 120.3310 59.5382 29.7071 179.0002 48 R 3.9959 9.0728 116.7756 59.4584 29.0346 178.1375 49 M 4.0271 8.3911 118.5909 59.1479 32.1774 177.7511 50 I 3.9915 7.8404 118.0832 63.4391 37.6640 177.8771 51 L 3.9818 7.6193 121.2888 58.9118 42.5132 178.5508 52 T 3.9338 8.7229 115.4703 62.4450 68.4715 174.8096 53 H 3.7096 6.5215 120.6184 54.2768 31.5899 173.9974 54 V 4.2182 7.7828 124.6098 60.9048 33.7119 176.2612 55 D 4.7998 8.4926 131.2401 53.3095 40.0439 176.9778 56 L 3.7544 8.0562 122.2630 58.0755 41.8288 178.8562 57 I 4.5413 8.1783 117.9009 64.8335 37.3064 176.9511 58 E 3.9817 8.2588 118.9939 59.9328 29.1884 179.8977 59 K 4.1255 8.0957 116.8247 58.6938 32.1130 179.4426 60 F 4.7443 8.6727 119.0509 60.6533 39.2444 176.9185 61 L 4.2690 8.3682 118.1895 58.1809 41.2465 179.3140 62 R 3.9658 7.4263 113.2385 55.9888 30.2582 175.4573 63 Y 4.1466 8.8327 119.5683 58.8502 37.2145 175.7797 64 N 5.0151 9.8169 127.4251 54.2345 44.4396 171.1036 65 P 4.4784 0.0000 0.0000 62.9448 31.7191 176.7265 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 M 8.30 4.57 0.00 2.11 2.34 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.64 0.00 2 I 7.77 2.87 1.86 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 0.15 0.82 0.00 0.00 3 V 8.53 2.91 1.78 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 0.49 0.00 0.00 -0.21 0.00 0.00 4 P 0.00 4.57 0.00 1.77 1.60 0.00 3.34 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 5 V 8.11 3.85 1.97 0.00 0.00 0.00 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 0.85 0.00 0.00 6 R 8.66 4.08 0.00 1.81 2.00 0.00 3.26 0.00 0.00 3.74 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.47 0.00 7 C 8.53 4.06 0.00 2.88 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 8 F 7.76 3.98 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.60 4.14 0.00 3.95 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 10 C 7.86 4.19 0.00 3.06 3.04 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 0.00 0.00 0.00 11 G 8.75 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 0.00 0.00 0.00 12 K 8.09 3.81 0.00 1.76 1.70 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.45 7.81 13 V 7.95 4.08 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 0.79 0.00 0.00 0.91 0.00 0.00 14 V 8.36 4.44 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 0.95 0.00 0.00 0.88 0.00 0.00 15 G 7.31 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.54 4.61 0.00 2.94 2.95 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 17 K 8.08 4.24 0.00 2.07 2.01 0.00 1.60 0.00 0.00 1.76 0.00 0.00 3.15 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.58 1.62 7.81 18 W 8.43 4.95 0.00 3.35 3.07 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 0.00 0.00 0.00 0.00 19 E 8.35 3.85 0.00 2.01 2.00 0.00 0.00 0.00 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 2.58 0.00 20 S 8.10 4.27 0.00 4.09 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 21 Y 8.63 4.11 0.00 3.01 3.22 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 0.00 0.00 0.00 0.00 22 L 7.72 3.14 0.00 0.49 1.14 0.60 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.78 4.47 0.00 3.13 2.76 0.00 0.00 7.08 6.54 0.00 0.00 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 7.42 4.15 0.00 1.65 1.66 0.95 1.01 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 25 L 7.91 4.33 0.00 1.44 1.33 0.46 0.44 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 26 Q 8.07 3.84 0.00 1.89 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.99 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 27 E 7.72 4.20 0.00 2.16 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 2.31 2.27 0.00 28 D 8.12 4.53 0.00 2.73 2.67 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 0.00 0.00 0.00 0.00 29 E 7.05 4.20 0.00 1.97 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 2.25 2.35 0.00 30 L 7.87 4.81 0.00 1.81 1.55 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.40 4.77 0.00 2.83 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 32 E 8.18 3.87 0.00 2.17 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 2.54 2.61 0.00 33 G 8.27 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 0.00 0.00 0.00 34 T 8.10 4.10 4.48 0.00 0.00 0.00 0.00 0.00 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 35 A 8.09 4.21 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.00 3.91 0.00 1.75 1.74 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.74 3.99 0.00 4.11 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 38 R 7.84 4.09 0.00 1.85 2.25 0.00 3.26 0.00 0.00 3.23 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 39 L 8.35 4.41 0.00 1.82 1.71 1.11 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.88 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.55 4.20 0.00 1.65 1.66 0.86 0.86 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 42 K 8.56 4.19 0.00 1.72 1.82 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.44 7.81 43 R 7.53 4.64 0.00 1.76 1.96 0.00 2.94 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.46 0.00 44 Y 8.74 4.28 0.00 3.24 3.20 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 0.00 0.00 0.00 0.00 45 C 7.55 4.27 0.00 3.04 2.82 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 0.00 0.00 0.00 46 C 7.95 4.23 0.00 2.96 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.47 3.92 0.00 2.03 2.06 0.00 3.31 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.89 0.00 48 R 9.07 4.00 0.00 2.03 2.35 0.00 2.93 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 2.04 0.00 49 M 8.39 4.03 0.00 1.98 2.16 0.00 0.00 0.00 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 50 I 7.84 3.99 1.61 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 1.46 0.82 0.61 0.00 0.00 51 L 7.62 3.98 0.00 1.64 1.81 1.01 1.19 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 52 T 8.72 3.93 4.36 0.00 0.00 0.00 0.00 0.00 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 53 H 6.52 3.71 0.00 3.10 3.43 0.00 5.67 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.78 4.22 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 0.86 0.00 0.00 0.99 0.00 0.00 55 D 8.49 4.80 0.00 3.14 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 56 L 8.06 3.75 0.00 1.67 1.19 0.98 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.18 4.54 2.13 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.54 1.07 0.00 0.00 58 E 8.26 3.98 0.00 2.26 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 0.00 2.71 2.67 0.00 59 K 8.10 4.13 0.00 1.51 1.79 0.00 1.62 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.44 7.81 60 F 8.67 4.74 0.00 3.22 3.05 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 61 L 8.37 4.27 0.00 1.93 1.84 1.01 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.43 3.97 0.00 1.82 1.99 0.00 3.21 0.00 0.00 3.15 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 63 Y 8.83 4.15 0.00 3.23 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 9.82 5.02 0.00 2.72 2.55 0.00 0.00 6.87 7.69 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 65 P 0.00 4.48 0.00 2.23 2.03 0.00 3.92 0.00 0.00 3.74 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