NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 E 4.3073 8.4449 121.4704 55.9381 30.8115 174.5743 13 L 4.6820 8.2050 121.7729 51.8750 44.9740 170.8416 14 V 4.2390 8.2770 120.3398 60.9561 34.6997 174.3961 15 D 4.5801 8.5996 127.1226 52.6828 41.0191 174.6098 16 P 4.3059 0.0000 0.0000 65.8096 30.7656 177.9783 17 L 3.9557 8.0635 120.1730 58.4451 41.9564 178.8583 18 T 3.9203 7.9512 109.7235 65.2771 68.5000 176.1748 19 T 3.8757 7.8666 117.9264 66.6191 68.6469 176.5384 20 I 3.8362 8.0751 121.4991 64.3106 37.0681 178.8834 21 R 3.9514 8.1011 119.2846 59.1434 29.6471 178.7608 22 E 4.1450 7.6191 118.5743 59.3427 29.4194 178.3225 23 H 4.2427 8.2132 118.1123 59.8847 29.6669 176.5504 24 C 4.2739 8.3326 118.0695 59.7507 39.4317 175.6207 25 E 4.0439 8.3668 119.6564 58.2357 28.7843 177.5248 26 Q 4.3591 7.5184 117.2092 55.5707 30.9087 175.2558 27 T 4.6096 7.0020 116.1784 61.4993 71.4076 175.1863 28 E 3.8951 8.9971 125.6515 59.7918 29.5735 179.6047 29 K 3.9626 8.0390 117.5042 59.7007 31.9427 179.0407 30 C 4.2815 7.9949 116.2774 62.9918 28.3519 175.7896 31 V 3.5579 8.3783 120.1270 66.2221 30.8778 178.3205 32 K 3.9199 8.0906 117.2855 59.5393 32.1676 179.2571 33 A 4.0536 7.9645 120.7538 55.2407 18.4103 179.6768 34 R 3.5029 9.1762 118.4258 59.1724 29.9246 178.4385 35 E 3.8736 8.0205 119.2184 59.4135 29.5826 179.0154 36 R 3.9120 8.1486 118.1855 58.9849 29.9598 178.7727 37 L 3.8820 7.7400 119.6487 58.3993 42.1075 178.9644 38 E 3.9175 7.9838 117.9404 59.3308 29.3942 179.5360 39 L 3.9633 7.6671 119.3337 57.6393 41.5983 178.5970 40 C 4.1844 7.9142 118.3435 59.6530 39.1601 174.6679 41 D 4.2930 8.2888 119.8281 57.7918 40.8153 177.9678 42 A 3.9475 8.2102 121.0387 55.9026 18.0757 179.8715 43 R 4.0061 7.7381 114.1581 58.6546 29.7459 178.8720 44 V 3.7102 8.0093 118.7353 65.9434 31.5987 177.9704 45 S 4.3272 8.5808 114.6483 60.7552 62.5872 175.2272 46 S 4.7764 7.8945 115.9663 58.1049 64.1789 173.6758 47 R 4.7442 7.6451 120.0262 56.2423 34.1546 174.8754 48 S 4.7842 7.9656 112.9681 58.4675 63.8056 173.7515 49 H 4.6773 7.6678 112.2583 56.1814 31.3084 174.2893 50 T 4.6373 8.0991 112.9278 60.3656 69.5491 173.5679 51 E 4.1684 8.7850 126.4613 58.5860 30.2411 176.5984 52 E 3.8911 7.7135 117.7305 55.7786 30.7654 175.5787 53 Q 4.6144 8.1180 120.6309 55.1380 33.0838 175.1485 54 C 5.5857 8.2343 113.4209 56.5968 39.3537 176.8452 55 T 3.4597 7.8680 117.4731 66.5935 67.8547 175.1703 56 E 3.8545 7.9652 120.4360 59.6841 29.5314 178.9017 57 E 3.9656 8.0439 117.5400 59.3470 29.5608 178.7728 58 L 4.0837 8.1614 120.6567 58.3179 42.0771 179.0186 59 F 4.5494 8.9679 117.9497 61.0516 38.8266 177.0866 60 D 4.5464 8.5842 118.6446 57.7110 40.5854 179.2459 61 F 4.2726 8.4433 120.7611 61.4821 39.5170 177.2870 62 L 3.7074 8.3886 118.8910 57.7940 41.2704 179.2246 63 H 3.9142 8.8370 118.2642 59.2530 29.7792 177.2678 64 A 3.9510 7.7191 122.6282 55.0301 18.1877 179.4278 65 R 3.6733 7.9572 117.5869 59.6499 30.1631 178.3920 66 D 4.2643 8.0372 118.5977 57.6315 40.6322 178.2252 67 H 3.9453 8.0517 117.7000 59.4893 29.8828 176.0948 68 C 4.3667 7.9253 120.1855 59.6208 41.7433 175.5690 69 V 3.5248 7.7096 119.6282 66.0444 29.7207 177.5972 70 A 3.7299 8.0011 120.3377 55.7300 17.9069 179.3072 71 H 4.2941 7.8702 113.4327 58.1176 28.9902 177.0726 72 K 4.4258 7.3745 119.1506 57.3641 33.6605 177.8662 73 L 3.9825 8.5528 121.2257 58.6872 42.0904 179.1892 74 F 4.4895 8.3836 116.0100 59.7729 38.5843 177.1350 75 N 4.5434 8.2337 116.4343 55.8675 38.5089 176.0271 76 K 4.2752 7.9264 116.8060 56.7907 32.7179 176.6953 77 L 4.5509 7.0770 117.8063 53.0484 43.4097 176.5117 78 K 4.0906 8.3118 120.6487 56.6364 32.1509 176.3035 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 12 E 8.44 4.31 0.00 1.95 1.92 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 2.19 2.34 0.00 13 L 8.21 4.68 0.00 1.71 1.52 0.92 0.52 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 14 V 8.28 4.24 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 15 D 8.60 4.58 0.00 2.76 2.56 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 16 P 0.00 4.31 0.00 2.32 2.34 0.00 3.76 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 17 L 8.06 3.96 0.00 1.85 1.96 0.95 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.95 3.92 4.26 0.00 0.00 0.00 0.00 0.00 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 19 T 7.87 3.88 4.42 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 1.23 0.00 0.00 20 I 8.08 3.84 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.82 0.95 0.00 0.00 21 R 8.10 3.95 0.00 2.09 2.02 0.00 3.32 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 22 E 7.62 4.14 0.00 2.06 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 0.00 2.38 2.56 0.00 23 H 8.21 4.24 0.00 3.28 3.36 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.33 4.27 0.00 3.23 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 25 E 8.37 4.04 0.00 2.28 2.15 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 2.77 2.64 0.00 26 Q 7.52 4.36 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.65 0.00 0.00 0.00 0.00 0.00 2.62 2.55 0.00 27 T 7.00 4.61 4.37 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 1.21 0.00 0.00 28 E 9.00 3.90 0.00 2.03 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 0.00 2.39 2.44 0.00 29 K 8.04 3.96 0.00 1.79 1.85 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.46 7.81 30 C 7.99 4.28 0.00 3.33 3.31 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 31 V 8.38 3.56 2.23 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 1.04 0.00 0.00 1.02 0.00 0.00 32 K 8.09 3.92 0.00 2.05 1.85 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.80 7.81 33 A 7.96 4.05 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.18 3.50 0.00 1.28 2.20 0.00 3.18 0.00 0.00 2.76 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 35 E 8.02 3.87 0.00 2.29 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 0.00 2.29 2.33 0.00 36 R 8.15 3.91 0.00 2.03 1.97 0.00 3.20 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.94 0.00 37 L 7.74 3.88 0.00 1.84 1.77 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 38 E 7.98 3.92 0.00 2.04 1.94 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 2.24 2.48 0.00 39 L 7.67 3.96 0.00 1.77 1.70 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 40 C 7.91 4.18 0.00 2.92 3.25 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 0.00 41 D 8.29 4.29 0.00 2.77 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 42 A 8.21 3.95 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.74 4.01 0.00 1.99 2.07 0.00 3.06 0.00 0.00 2.99 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.48 0.00 44 V 8.01 3.71 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 0.83 0.00 0.00 0.96 0.00 0.00 45 S 8.58 4.33 0.00 3.97 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 46 S 7.89 4.78 0.00 4.07 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 47 R 7.65 4.74 0.00 1.75 1.85 0.00 3.17 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.83 0.00 48 S 7.97 4.78 0.00 3.81 3.82 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 49 H 7.67 4.68 0.00 3.04 3.26 0.00 5.85 0.00 0.00 0.00 0.00 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.10 4.64 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 1.20 0.00 0.00 51 E 8.79 4.17 0.00 1.98 1.96 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 2.27 2.22 0.00 52 E 7.71 3.89 0.00 1.91 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 2.28 2.36 0.00 53 Q 8.12 4.61 0.00 1.95 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.27 0.00 0.00 0.00 0.00 0.00 2.22 2.43 0.00 54 C 8.23 5.59 0.00 2.91 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 55 T 7.87 3.46 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 0.12 0.00 0.00 56 E 7.97 3.85 0.00 1.97 1.92 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 2.40 2.47 0.00 57 E 8.04 3.97 0.00 2.22 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 2.43 0.00 58 L 8.16 4.08 0.00 1.80 1.90 1.13 1.21 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 59 F 8.97 4.55 0.00 3.29 3.03 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 60 D 8.58 4.55 0.00 2.92 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 61 F 8.44 4.27 0.00 3.17 3.35 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 0.00 62 L 8.39 3.71 0.00 1.89 1.67 1.09 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.84 3.91 0.00 3.22 3.41 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.72 3.95 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 65 R 7.96 3.67 0.00 0.98 1.38 0.00 3.09 0.00 0.00 2.88 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 66 D 8.04 4.26 0.00 2.76 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 67 H 8.05 3.95 0.00 3.16 3.42 0.00 5.76 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 C 7.93 4.37 0.00 3.03 3.31 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 69 V 7.71 3.52 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 0.96 0.00 0.00 0.94 0.00 0.00 70 A 8.00 3.73 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 71 H 7.87 4.29 0.00 3.26 3.40 0.00 5.81 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 7.37 4.43 0.00 1.93 1.83 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.39 1.44 7.81 73 L 8.55 3.98 0.00 1.84 1.83 1.00 1.17 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 74 F 8.38 4.49 0.00 2.98 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 75 N 8.23 4.54 0.00 2.92 2.90 0.00 0.00 6.96 7.15 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 76 K 7.93 4.28 0.00 1.80 1.86 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.42 7.81 77 L 7.08 4.55 0.00 1.51 1.41 0.86 0.75 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 78 K 8.31 4.09 0.00 1.67 1.63 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.39 7.81