NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.5161 8.3349 116.8090 58.0216 64.5315 173.4201 8 D 4.5984 8.5354 124.2904 53.3717 42.1069 174.2307 9 F 5.2733 8.5791 115.7751 56.0203 42.0059 173.2440 10 V 4.6162 9.1254 111.1532 59.7190 36.2767 174.8381 11 V 4.7744 8.6300 123.7793 61.5399 33.6366 174.6289 12 I 4.8109 8.9271 128.2797 59.5502 40.6978 174.0591 13 K 4.9412 9.1018 129.5179 54.3832 34.3350 174.9978 14 A 4.5177 8.8311 130.4364 51.9530 19.0726 177.5752 15 L 4.4735 8.8861 122.7873 55.4435 42.2361 176.5249 16 E 4.6835 7.7335 115.4025 54.7585 32.2030 174.5281 17 D 4.4013 8.4280 119.6495 55.9153 41.2859 176.8916 18 G 3.8639 8.9764 110.0177 46.0742 0.0000 174.0219 19 V 3.9186 7.6646 119.8121 62.7900 32.9803 174.5381 20 N 5.4719 8.8962 123.8262 51.4219 41.7116 173.4738 21 V 4.4961 8.8036 124.3340 61.3891 33.6326 174.1895 22 I 4.6104 8.7680 129.8830 59.4570 39.6445 174.8955 23 G 4.2862 8.9273 114.5944 44.7309 0.0000 172.4696 24 L 5.4369 8.7874 126.2043 53.4372 43.7130 176.4454 25 T 4.5988 8.5340 114.3591 61.8024 69.3345 174.2437 26 R 4.2375 8.0915 126.1249 56.6554 30.9389 175.3612 27 G 3.7405 8.6747 109.7077 44.1550 0.0000 173.1072 28 A 4.1044 8.5969 121.6100 54.1739 18.7146 177.7272 29 D 4.9296 7.8722 114.8411 52.9067 42.8286 175.6689 30 T 4.6884 8.2946 119.2381 61.8574 70.9178 173.4079 31 R 4.6015 8.2906 125.5514 54.7522 34.2284 173.8507 32 F 5.4014 8.5275 123.8929 57.9345 39.1833 174.8996 33 H 5.0243 9.0519 117.8826 56.0070 30.8304 173.6404 34 H 4.7332 7.6747 117.8277 54.9650 33.3739 172.0167 35 S 4.8654 8.2517 119.9838 56.4233 64.3355 172.4965 36 E 4.3289 8.9134 130.2386 55.0429 30.7002 174.9929 37 K 4.6789 8.6197 128.9726 55.9326 33.4332 175.5810 38 L 4.9321 9.4865 128.2272 53.1654 44.7084 175.8573 39 D 4.9755 9.6589 123.5454 52.1148 43.6984 175.5826 40 K 3.9113 8.6982 121.6293 59.6129 31.9526 176.9178 41 G 4.0089 9.1593 116.3961 44.9294 0.0000 172.8881 42 E 4.2574 8.5139 120.4363 56.1818 30.7812 175.9060 43 V 4.8366 8.3085 122.5637 61.0177 34.1109 174.3043 44 L 4.7921 8.9457 129.0911 53.2391 45.1084 174.8468 45 I 4.9785 8.4506 126.0690 59.5668 39.2427 174.7257 46 A 4.7444 9.0163 128.7138 50.1974 22.2392 174.9841 47 Q 5.0004 8.5396 119.7246 54.1353 31.4881 175.3953 48 F 4.7336 8.3923 120.2860 57.7811 39.9698 175.2714 49 T 4.7848 9.0008 111.8892 59.4670 72.0660 174.1260 50 E 3.9003 8.9120 121.7447 59.1304 29.4975 177.0813 51 H 4.6917 7.9567 113.3774 55.8202 30.3518 173.9217 52 T 5.2665 8.1184 116.6540 61.7352 71.1711 174.2698 53 S 5.1443 8.9039 119.5529 57.6886 64.8490 173.2570 54 A 5.0341 7.8526 120.2771 51.5170 22.3642 175.6437 55 I 4.9919 8.5509 121.0119 59.3611 41.0756 174.6979 56 K 4.6012 8.9112 127.4540 54.4562 35.1526 174.6254 57 V 4.8341 8.4217 126.4467 61.0373 34.0505 174.3840 58 R 4.4601 8.9572 127.7304 55.6222 32.9382 175.0694 59 G 3.9785 9.0708 111.7188 44.0361 0.0000 172.5971 60 K 4.4451 8.7070 119.7260 56.3867 32.8982 175.5815 61 A 5.1902 8.8146 128.4374 50.7923 23.3949 173.6036 62 Y 4.8651 8.8647 120.8917 56.2632 40.9751 174.7226 63 I 5.6045 7.6560 125.9732 58.6622 41.9157 174.1005 64 Q 5.0996 8.6976 124.5698 54.3519 32.3306 174.5885 65 T 4.7024 8.6855 112.7096 59.4809 72.5611 174.5314 66 R 3.7221 8.5682 121.0749 59.8819 29.7519 176.4192 67 H 4.6037 7.7343 112.0024 55.3124 29.5102 173.6919 68 G 3.7557 7.6683 106.0593 43.9316 0.0000 172.4270 69 V 4.3608 8.1116 119.6866 61.9825 32.6414 176.6698 70 I 4.6396 8.6031 126.9261 59.2884 41.9054 173.2410 71 E 4.9511 8.6493 127.2218 54.5323 31.6719 175.9735 72 S 4.5969 8.6208 119.3470 58.0534 64.9824 173.0342 73 E 4.9039 8.4993 119.6702 54.0933 33.4501 176.0209 74 G 3.7602 8.7282 110.2497 46.0519 0.0000 173.3805 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 4.52 0.00 3.97 4.10 0.00 0.00 0.00 0.00 0.00 0.00 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 8.54 4.60 0.00 2.82 2.76 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 0.00 0.00 0.00 0.00 9 F 8.58 5.27 0.00 2.96 2.99 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 10 V 9.13 4.62 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 0.50 0.00 0.00 0.87 0.00 0.00 11 V 8.63 4.77 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.18 0.00 0.00 12 I 8.93 4.81 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 1.10 0.56 0.92 0.00 0.00 13 K 9.10 4.94 0.00 1.86 1.77 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.38 7.81 14 A 8.83 4.52 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.89 4.47 0.00 1.72 1.74 1.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.73 4.68 0.00 2.03 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 2.34 2.32 0.00 17 D 8.43 4.40 0.00 2.68 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 8.98 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 0.00 0.00 0.00 19 V 7.66 3.92 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 0.95 0.00 0.00 0.98 0.00 0.00 20 N 8.90 5.47 0.00 2.59 2.57 0.00 0.00 6.46 7.08 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 21 V 8.80 4.50 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 1.00 0.00 0.00 0.90 0.00 0.00 22 I 8.77 4.61 1.54 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 0.79 0.40 -0.11 0.00 0.00 23 G 8.93 4.29 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 0.00 24 L 8.79 5.44 0.00 1.94 1.73 1.10 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.53 4.60 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 1.37 0.00 0.00 26 R 8.09 4.24 0.00 1.86 2.02 0.00 3.18 0.00 0.00 3.07 7.04 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 8.67 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.60 4.10 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 7.87 4.93 0.00 2.67 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 4.69 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 1.26 0.00 0.00 31 R 8.29 4.60 0.00 1.69 1.76 0.00 3.11 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 32 F 8.53 5.40 0.00 2.97 2.81 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 0.00 0.00 0.00 33 H 9.05 5.02 0.00 3.14 3.48 0.00 5.78 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 7.67 4.73 0.00 3.29 3.08 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.25 4.87 0.00 3.75 3.60 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 36 E 8.91 4.33 0.00 2.19 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 37 K 8.62 4.68 0.00 1.78 1.67 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.45 7.81 38 L 9.49 4.93 0.00 1.50 1.51 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.66 4.98 0.00 2.66 2.70 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 0.00 0.00 0.00 0.00 40 K 8.70 3.91 0.00 1.70 1.84 0.00 1.95 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.41 7.81 41 G 9.16 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 0.00 0.00 0.00 42 E 8.51 4.26 0.00 2.00 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 2.32 2.31 0.00 43 V 8.31 4.84 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 0.79 0.00 0.00 0.94 0.00 0.00 44 L 8.95 4.79 0.00 1.74 1.44 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.45 4.98 1.73 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 1.25 0.76 0.57 0.00 0.00 46 A 9.02 4.74 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.54 5.00 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 48 F 8.39 4.73 0.00 3.04 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 49 T 9.00 4.78 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 8.91 3.90 0.00 1.93 2.02 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 2.00 2.27 0.00 51 H 7.96 4.69 0.00 3.39 3.23 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 8.12 5.27 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 1.31 0.00 0.00 53 S 8.90 5.14 0.00 3.89 4.08 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 0.00 0.00 0.00 54 A 7.85 5.03 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 55 I 8.55 4.99 1.80 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.64 0.86 0.00 0.00 56 K 8.91 4.60 0.00 1.78 1.43 0.00 1.45 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.24 1.34 7.81 57 V 8.42 4.83 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 0.82 0.00 0.00 0.89 0.00 0.00 58 R 8.96 4.46 0.00 1.84 1.66 0.00 3.08 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 59 G 9.07 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 60 K 8.71 4.45 0.00 1.88 1.74 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 A 8.81 5.19 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 62 Y 8.86 4.87 0.00 3.08 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 63 I 7.66 5.60 1.94 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 1.22 1.04 0.86 0.00 0.00 64 Q 8.70 5.10 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.68 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 65 T 8.69 4.70 4.13 0.00 0.00 0.00 0.00 0.00 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 66 R 8.57 3.72 0.00 1.60 1.78 0.00 3.18 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 67 H 7.73 4.60 0.00 3.19 3.27 0.00 5.69 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 7.67 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.11 4.36 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 0.31 0.00 0.00 0.81 0.00 0.00 70 I 8.60 4.64 1.81 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 1.20 1.14 0.85 0.00 0.00 71 E 8.65 4.95 0.00 1.86 1.86 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 2.19 2.21 0.00 72 S 8.62 4.60 0.00 4.02 3.97 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 73 E 8.50 4.90 0.00 1.82 1.84 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 2.21 2.29 0.00 74 G 8.73 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00