NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.1990 8.1731 120.6284 54.5758 43.5184 176.4122 8 G 3.6637 8.1107 107.8875 46.3804 0.0000 173.6434 9 S 4.3760 9.3199 118.4810 58.2902 63.2569 170.9715 10 T 3.2979 7.7151 118.3400 63.9840 68.0154 172.9084 11 R 4.7088 8.2640 116.5807 55.4220 32.8841 175.0752 12 N 4.2156 8.8740 116.6310 53.5838 36.8022 175.7489 13 G 4.0083 9.3978 109.3518 47.1909 0.0000 173.0671 14 R 4.6765 8.2524 116.0825 53.7564 34.5139 174.0380 15 D 4.8277 7.8663 122.0176 54.6009 43.3227 176.6314 16 S 4.8473 8.0155 119.0613 57.2105 65.5404 172.9475 17 Q 4.2900 8.0719 116.0550 55.6788 31.3095 175.0955 18 A 3.6441 7.4285 121.1601 51.6793 16.6230 176.9754 19 K 4.2013 8.6295 120.3604 56.3728 33.2370 176.9542 20 R 3.6905 7.7644 117.2070 57.1525 27.3950 174.8560 21 L 4.2742 7.3285 116.5505 53.0964 44.1441 174.3882 22 G 3.6680 8.5529 104.5415 44.4207 0.0000 172.7472 23 V 3.9987 8.1462 118.8034 62.1260 32.0562 176.0890 24 K 4.1679 8.8264 125.8757 56.3928 33.4214 176.5980 25 R 4.2571 7.3633 116.3678 54.3171 32.5019 174.6510 26 Y 4.6071 8.2082 120.7433 56.6408 38.9790 175.1377 27 E 4.2873 8.5502 122.4976 57.9953 30.2806 176.7501 28 G 3.8123 9.6216 115.6971 46.2619 0.0000 173.5137 29 Q 4.6039 7.6307 116.0080 53.5120 33.3470 176.4822 30 V 3.9750 8.6001 124.2437 63.3902 32.4560 175.5178 31 V 4.6105 8.7519 119.8218 59.8724 35.9078 175.3712 32 R 5.2004 8.9712 122.4010 54.4139 32.4715 175.6216 33 A 4.0964 8.5034 121.8857 55.7563 17.1950 175.8311 34 G 3.4247 8.1444 112.9850 46.4967 0.0000 172.8417 35 N 4.5324 7.7986 118.6609 53.6190 39.5936 174.6529 36 I 4.4308 8.3314 116.7071 60.9683 38.5033 175.5882 37 L 4.3994 10.0541 125.1618 56.3888 43.6000 176.9328 38 V 4.6444 7.4757 117.2227 61.3255 35.5037 174.1257 39 R 4.9856 9.2030 127.5776 54.6519 31.3910 174.9039 40 Q 4.8315 8.1370 118.4849 54.5423 31.6262 176.0447 41 R 4.0910 9.0068 118.7322 58.5137 31.2906 177.9246 42 G 4.3230 7.7329 110.3910 45.8111 0.0000 174.1449 43 T 4.4432 8.3050 111.7132 61.3071 66.3589 176.2711 44 R 4.1081 7.8198 120.1978 58.3936 30.9376 177.4946 45 F 4.6566 7.9747 116.5746 55.8352 43.2450 174.0154 46 K 4.4458 8.7282 123.3563 53.4135 34.5827 173.7145 47 P 4.1889 0.0000 0.0000 63.4210 31.0898 176.3268 48 G 4.0512 8.4970 120.8099 46.2513 0.0000 172.5963 49 K 4.2881 9.1789 122.7416 56.5502 33.6806 177.6290 50 N 4.4348 9.0844 121.0516 53.3602 35.6835 173.0721 51 V 4.6011 7.6266 117.5400 60.9487 33.7150 174.9895 52 G 4.1147 7.7185 114.1915 44.2780 0.0000 171.1532 53 M 5.8467 7.7722 118.3963 52.1816 33.8187 175.8060 54 G 4.0686 9.4366 111.9614 44.9227 0.0000 175.1611 55 R 3.6173 8.1399 116.2508 58.9207 29.9224 176.8872 56 D 4.4626 8.0987 115.1481 52.9382 39.4907 175.3408 57 F 3.8992 9.5055 118.6990 59.0866 35.8697 174.3389 58 T 5.0602 7.6717 116.5591 61.8481 70.9660 175.1479 59 L 4.9191 8.7074 126.8517 53.7660 43.3073 175.8293 60 F 4.9455 8.0062 117.4826 54.9108 40.3477 174.0093 61 A 4.0819 9.0827 122.7578 52.7845 19.0904 177.8078 62 L 4.7055 8.5190 118.4913 55.6694 43.8358 177.2982 63 V 4.5196 7.5336 108.6725 58.9700 35.4407 175.3534 64 D 4.9269 7.5433 119.0679 53.2722 42.8525 174.5143 65 G 4.1944 8.9449 104.3650 45.0032 0.0000 172.6741 66 V 5.1634 8.7277 115.1312 58.4554 36.4871 174.7539 67 V 4.9079 8.2735 121.6473 61.7202 33.4424 174.3734 68 E 5.1893 9.0454 124.8174 54.8578 33.1136 174.0018 69 F 5.1125 8.9428 121.1075 56.1177 40.9381 175.0891 70 Q 4.4917 9.6651 125.0377 54.5566 31.7617 173.7851 71 D 4.7796 8.9207 127.6009 52.3518 40.9303 176.9402 72 R 4.3519 8.9976 131.7607 57.1777 30.5193 179.3621 73 G 3.8041 7.5645 113.3121 46.6570 0.0000 174.1908 74 R 4.0752 8.8977 121.6966 58.6777 29.7690 178.1886 75 L 4.1256 7.6377 115.8250 55.6747 42.4267 178.3927 76 G 3.9135 8.9148 106.2222 44.3837 0.0000 172.3689 77 R 5.2362 7.9872 118.0678 54.7074 34.3909 174.2418 78 Y 5.5261 9.6802 120.2433 55.0732 42.5464 174.5993 79 V 4.3569 8.0328 120.6352 61.5068 34.6246 174.4034 80 H 5.2446 9.4259 124.7858 54.2846 32.3188 173.9223 81 V 5.5692 8.5691 119.4967 59.1182 31.5347 172.9211 82 R 3.9731 8.4491 123.9730 55.5360 31.1982 174.1066 83 P 4.4374 0.0000 0.0000 63.0898 31.4385 176.0729 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 L 8.17 4.20 0.00 1.65 1.74 0.92 0.60 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 8 G 8.11 3.66 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 0.00 0.00 0.00 9 S 9.32 4.38 0.00 3.87 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 10 T 7.72 3.30 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 1.23 0.00 0.00 11 R 8.26 4.71 0.00 1.82 1.95 0.00 3.07 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 12 N 8.87 4.22 0.00 2.73 2.59 0.00 0.00 6.98 7.65 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 13 G 9.40 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 14 R 8.25 4.68 0.00 1.74 1.82 0.00 3.35 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 15 D 7.87 4.83 0.00 2.71 2.58 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 16 S 8.02 4.85 0.00 4.00 3.88 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 0.00 0.00 0.00 17 Q 8.07 4.29 0.00 2.24 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.40 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 18 A 7.43 3.64 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.63 4.20 0.00 1.75 1.85 0.00 1.90 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.38 7.81 20 R 7.76 3.69 0.00 1.90 1.94 0.00 3.19 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 21 L 7.33 4.27 0.00 1.65 1.80 0.93 1.07 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 22 G 8.55 3.67 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 0.00 0.00 0.00 23 V 8.15 4.00 2.12 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 0.89 0.00 0.00 0.79 0.00 0.00 24 K 8.83 4.17 0.00 1.72 1.73 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.47 7.81 25 R 7.36 4.26 0.00 1.69 1.80 0.00 3.33 0.00 0.00 3.13 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 26 Y 8.21 4.61 0.00 3.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.55 4.29 0.00 2.03 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 2.62 0.00 28 G 9.62 3.81 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 0.00 0.00 0.00 29 Q 7.63 4.60 0.00 2.22 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.04 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 30 V 8.60 3.97 2.10 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 0.79 0.00 0.00 0.95 0.00 0.00 31 V 8.75 4.61 2.10 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 0.93 0.00 0.00 0.95 0.00 0.00 32 R 8.97 5.20 0.00 1.78 1.87 0.00 3.41 0.00 0.00 3.31 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.48 0.00 33 A 8.50 4.10 1.36 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 0.00 0.00 0.00 34 G 8.14 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 N 7.80 4.53 0.00 2.75 2.77 0.00 0.00 6.62 7.23 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 36 I 8.33 4.43 2.02 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 1.34 0.80 0.90 0.00 0.00 37 L 10.05 4.40 0.00 1.52 1.65 0.82 0.62 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 38 V 7.48 4.64 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 0.77 0.00 0.00 0.54 0.00 0.00 39 R 9.20 4.99 0.00 1.81 1.84 0.00 3.28 0.00 0.00 3.23 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 40 Q 8.14 4.83 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.63 0.00 41 R 9.01 4.09 0.00 1.85 1.99 0.00 3.29 0.00 0.00 3.12 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 42 G 7.73 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.31 4.44 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 1.14 0.00 0.00 44 R 7.82 4.11 0.00 2.08 2.12 0.00 3.31 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 45 F 7.97 4.66 0.00 2.93 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.73 4.45 0.00 0.79 1.26 0.00 1.21 0.00 0.00 1.52 0.00 0.00 2.76 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.09 0.90 7.81 47 P 0.00 4.19 0.00 2.11 1.97 0.00 3.60 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.89 0.00 48 G 8.50 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 0.00 0.00 0.00 49 K 9.18 4.29 0.00 1.75 1.75 0.00 1.57 0.00 0.00 1.75 0.00 0.00 2.75 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.49 7.81 50 N 9.08 4.43 0.00 2.94 2.98 0.00 0.00 6.54 7.68 0.00 0.00 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 V 7.63 4.60 2.21 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 0.58 0.00 0.00 0.88 0.00 0.00 52 G 7.72 4.11 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 0.00 53 M 7.77 5.85 0.00 1.88 2.06 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.24 0.00 54 G 9.44 4.07 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 0.00 0.00 0.00 55 R 8.14 3.62 0.00 2.00 2.12 0.00 3.05 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 56 D 8.10 4.46 0.00 2.76 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 57 F 9.51 3.90 0.00 3.08 3.29 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 58 T 7.67 5.06 4.38 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 1.35 0.00 0.00 59 L 8.71 4.92 0.00 1.60 1.44 0.80 0.58 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 60 F 8.01 4.95 0.00 3.31 3.09 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 61 A 9.08 4.08 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.52 4.71 0.00 1.61 1.72 0.84 0.98 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 63 V 7.53 4.52 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 0.81 0.00 0.00 0.94 0.00 0.00 64 D 7.54 4.93 0.00 2.80 2.65 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 65 G 8.94 4.19 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 0.00 66 V 8.73 5.16 2.13 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 1.01 0.00 0.00 0.97 0.00 0.00 67 V 8.27 4.91 2.40 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 1.07 0.00 0.00 1.01 0.00 0.00 68 E 9.05 5.19 0.00 2.15 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 0.00 2.29 2.43 0.00 69 F 8.94 5.11 0.00 3.22 3.18 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 0.00 0.00 0.00 0.00 70 Q 9.67 4.49 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.88 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 71 D 8.92 4.78 0.00 2.80 2.65 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 72 R 9.00 4.35 0.00 2.22 1.91 0.00 3.41 0.00 0.00 3.17 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.28 0.00 73 G 7.56 3.80 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 0.00 0.00 0.00 74 R 8.90 4.08 0.00 2.06 2.20 0.00 3.04 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 75 L 7.64 4.13 0.00 1.93 1.88 0.89 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.91 3.91 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 0.00 0.00 0.00 77 R 7.99 5.24 0.00 1.32 1.68 0.00 2.89 0.00 0.00 2.83 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.45 0.00 78 Y 9.68 5.53 0.00 2.78 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 8.03 4.36 1.77 0.00 0.00 0.00 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 -0.22 0.00 0.00 80 H 9.43 5.24 0.00 3.07 3.18 0.00 5.61 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.57 5.57 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 1.03 0.00 0.00 0.99 0.00 0.00 82 R 8.45 3.97 0.00 2.23 1.86 0.00 3.30 0.00 0.00 3.40 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 83 P 0.00 4.44 0.00 2.22 2.02 0.00 3.85 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00