NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 E 4.2873 8.4444 120.2248 56.1761 31.7688 176.1599 10 Q 3.6377 7.9912 119.5720 55.0405 29.5021 169.7758 11 V 4.2756 8.5523 125.4607 61.1035 34.2312 174.1996 12 F 4.8731 8.4890 123.5176 55.2888 42.7005 174.1935 13 A 4.5578 8.7900 124.0113 51.6049 19.4857 176.2895 14 A 4.4646 8.6633 125.0984 51.2908 19.5617 176.7825 15 E 4.1667 9.2373 125.2241 58.7142 30.3997 176.7166 16 C 4.7354 7.2920 110.5366 57.5975 32.2743 172.6759 17 I 4.3145 8.3488 121.7902 60.7547 37.2081 175.5403 18 L 4.4776 8.5224 126.7587 56.4922 43.0901 176.4328 19 S 4.8862 7.1110 110.7634 57.3844 65.9420 173.2257 20 K 5.2830 8.9247 123.6151 54.7034 35.1811 175.0151 21 R 4.6475 8.8779 121.2926 54.5740 33.6334 173.2028 22 L 4.8899 8.2457 121.6776 53.3395 43.7621 175.5087 23 R 4.3503 8.6451 126.5378 55.5073 32.6176 175.1373 24 K 3.7923 9.7671 125.2761 57.6039 29.7373 175.9027 25 G 3.9371 8.3931 103.2905 45.5289 0.0000 173.8442 26 K 4.6299 7.8219 119.0020 54.0352 35.0923 175.3672 27 L 4.6706 8.3239 122.6240 54.7325 42.4853 176.1449 28 E 4.9554 8.8997 121.4881 54.8338 34.5001 173.9916 29 Y 4.9762 9.0344 119.4760 56.0893 41.7875 174.4798 30 L 3.8424 8.2245 126.7964 53.9615 43.4596 175.2294 31 V 4.2491 8.1454 127.0344 60.7200 33.9202 174.1479 32 K 4.5967 8.1518 129.5777 55.4142 33.7186 175.1424 33 W 5.1010 8.4931 127.1402 54.7988 31.3221 175.8549 34 R 4.2089 8.9906 125.7783 57.8212 29.9586 176.9370 35 G 4.0784 9.4170 113.2254 45.0361 0.0000 172.9577 36 W 4.8001 7.8573 118.3821 54.2899 32.5448 175.4989 37 S 4.5184 8.5692 116.2507 58.0220 63.5452 175.2676 38 S 5.0786 8.4571 115.3684 60.2670 62.6886 176.8646 39 K 4.0385 7.8673 119.1250 58.9455 31.8059 177.3499 40 H 4.8076 8.0921 114.1102 55.2432 29.2653 174.4192 41 N 5.2010 8.1575 118.5149 53.3546 39.4579 174.2143 42 S 4.9701 8.3994 115.6825 56.3384 67.2045 172.6332 43 W 4.9839 8.8507 121.5331 56.2480 29.8688 175.6100 44 E 5.0634 9.3360 124.5274 53.5434 33.0961 174.2129 45 P 4.9169 0.0000 0.0000 62.4207 32.3903 176.8362 46 E 3.9498 9.1672 120.7537 59.4309 29.5792 178.7827 47 E 4.0684 8.2330 114.9185 58.3452 29.7176 176.9836 48 N 4.6447 8.1778 115.9805 53.6914 39.0980 175.5440 49 I 4.1976 7.5245 120.3393 59.9872 36.1708 175.2947 50 L 4.1494 8.2763 125.4976 56.8909 42.4866 177.5624 51 D 4.5649 7.9069 119.2484 52.7498 41.8071 175.0516 52 P 4.3479 0.0000 0.0000 65.6499 31.1559 178.6638 53 R 3.9724 8.6323 118.6725 58.8600 29.8500 178.8352 54 L 3.9174 7.7414 118.8414 57.9515 41.6782 179.5572 55 L 4.0670 7.7266 118.2672 57.1639 41.4158 178.8744 56 L 3.8995 7.6808 119.6553 58.2962 42.1731 178.7130 57 A 4.1242 8.2511 120.6971 55.1812 18.1223 179.2732 58 F 4.1785 8.0367 118.0225 61.2283 39.5146 176.5510 59 Q 4.1713 8.0661 117.6590 57.0365 29.0314 177.0881 60 K 4.2810 7.4735 129.7286 56.8846 32.0147 181.9245 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 9 E 8.44 4.29 0.00 1.95 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 2.20 2.24 0.00 10 Q 7.99 3.64 0.00 1.94 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.70 0.00 0.00 0.00 0.00 0.00 1.16 1.98 0.00 11 V 8.55 4.28 1.98 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 0.90 0.00 0.00 0.95 0.00 0.00 12 F 8.49 4.87 0.00 2.94 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 13 A 8.79 4.56 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.66 4.46 0.91 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 15 E 9.24 4.17 0.00 1.93 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 2.32 2.28 0.00 16 C 7.29 4.74 0.00 2.93 2.91 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 17 I 8.35 4.31 1.60 0.00 0.00 0.50 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 0.33 0.05 0.00 0.00 18 L 8.52 4.48 0.00 1.22 1.62 0.76 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 19 S 7.11 4.89 0.00 3.90 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.92 5.28 0.00 1.97 1.89 0.00 1.91 0.00 0.00 2.18 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.24 0.90 7.81 21 R 8.88 4.65 0.00 1.48 1.42 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.06 0.00 22 L 8.25 4.89 0.00 1.56 1.51 0.87 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.65 4.35 0.00 1.54 1.55 0.00 3.17 0.00 0.00 2.93 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.41 0.00 24 K 9.77 3.79 0.00 1.84 1.80 0.00 1.85 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.30 1.32 7.81 25 G 8.39 3.94 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 0.00 0.00 0.00 26 K 7.82 4.63 0.00 1.75 1.66 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.35 7.81 27 L 8.32 4.67 0.00 1.54 1.34 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.90 4.96 0.00 1.80 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 2.25 2.20 0.00 29 Y 9.03 4.98 0.00 2.76 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 30 L 8.22 3.84 0.00 0.27 0.66 -0.12 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.15 4.25 1.20 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 -0.91 0.00 0.00 0.55 0.00 0.00 32 K 8.15 4.60 0.00 1.79 1.48 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.42 7.81 33 W 8.49 5.10 0.00 3.26 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 34 R 8.99 4.21 0.00 1.97 2.10 0.00 3.35 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 35 G 9.42 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 0.00 0.00 0.00 36 W 7.86 4.80 0.00 3.35 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 37 S 8.57 4.52 0.00 4.06 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 38 S 8.46 5.08 0.00 3.93 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 39 K 7.87 4.04 0.00 1.76 1.82 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.44 7.81 40 H 8.09 4.81 0.00 3.54 3.29 0.00 5.67 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.16 5.20 0.00 2.63 2.56 0.00 0.00 6.59 7.53 0.00 0.00 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 S 8.40 4.97 0.00 3.94 3.99 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 43 W 8.85 4.98 0.00 3.19 3.15 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 0.00 44 E 9.34 5.06 0.00 1.92 1.93 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 2.52 2.63 0.00 45 P 0.00 4.92 0.00 2.65 2.24 0.00 3.82 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.02 0.00 46 E 9.17 3.95 0.00 2.28 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 0.00 2.39 2.23 0.00 47 E 8.23 4.07 0.00 2.15 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 0.00 2.33 2.31 0.00 48 N 8.18 4.64 0.00 2.99 3.04 0.00 0.00 6.93 7.62 0.00 0.00 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 I 7.52 4.20 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.54 0.76 0.00 0.00 50 L 8.28 4.15 0.00 1.67 1.73 0.96 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 51 D 7.91 4.56 0.00 2.68 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.35 0.00 2.29 2.28 0.00 3.74 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 53 R 8.63 3.97 0.00 1.96 2.01 0.00 3.13 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 54 L 7.74 3.92 0.00 1.73 1.57 0.83 0.38 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 55 L 7.73 4.07 0.00 1.60 1.66 0.59 -0.15 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 56 L 7.68 3.90 0.00 1.76 1.88 0.92 1.11 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 57 A 8.25 4.12 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 58 F 8.04 4.18 0.00 3.07 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 8.07 4.17 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 60 K 7.47 4.28 0.00 1.81 1.57 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.38 1.32 7.81