NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 W 4.7191 8.2749 130.5349 57.8566 30.4681 178.1940 1 L 2.4528 6.7206 123.8415 53.7615 42.9090 172.8498 2 I 4.3287 7.6447 123.2227 60.0176 40.5173 175.0844 3 T 4.5303 8.3600 121.2243 62.0349 69.7759 174.4432 4 G 4.3016 8.4392 113.7633 43.9513 0.0000 171.5164 5 T 4.6229 8.2263 116.3700 61.0742 71.1315 174.1783 6 E 4.1554 8.6674 124.0869 55.7392 30.6086 176.3444 7 A 4.3258 8.4770 123.8776 52.1225 19.8352 176.9047 8 S 5.1455 8.3743 116.0570 57.4446 65.9067 171.3903 9 C 4.7787 8.8429 113.4528 55.5146 44.6288 174.4582 10 E 4.1413 8.8647 117.9970 57.7976 30.5705 176.7743 11 N 4.5992 7.8525 119.5695 50.9926 36.2790 173.2897 12 E 3.8523 8.5764 123.5204 58.3936 29.9779 178.5680 13 G 3.9751 9.8291 112.0762 45.7590 0.0000 172.6765 14 E 4.8050 7.5223 117.3480 53.6249 32.9082 175.6622 15 V 4.0955 8.3578 120.6238 63.1698 32.4159 174.7119 16 L 4.6433 8.3150 128.8219 53.5156 44.2344 175.2899 17 H 4.6838 8.8553 123.4047 54.3056 29.8008 174.1316 18 I 4.2467 8.0494 126.8385 58.6355 37.4067 173.7231 19 P 4.3400 0.0000 0.0000 64.6485 31.4323 176.6276 20 N 4.6905 8.9175 120.3425 53.1333 38.1991 174.8193 21 I 4.2332 7.6239 116.4718 63.0917 38.9057 177.0450 22 T 4.4031 7.8356 111.3949 62.3047 67.3912 174.8332 23 D 4.5326 7.8586 118.9494 55.2311 40.4390 176.0866 24 N 4.4788 7.7226 119.5804 52.6830 39.3210 173.8771 25 P 4.3031 0.0000 0.0000 65.5158 31.6977 177.6207 26 C 4.6839 8.1492 113.8524 56.7189 40.4836 172.3123 27 I 5.2643 7.6639 121.4026 59.4627 39.3966 175.1822 28 S 4.8013 8.8172 120.2152 56.9428 66.8652 172.3229 29 C 5.7299 8.6800 117.6710 55.4281 45.1353 173.1516 30 V 4.9146 8.4632 119.2904 60.4042 34.8426 173.1956 31 C 5.1152 8.9789 125.0769 55.9764 44.4500 172.2853 32 L 5.3567 8.4757 126.8720 54.4439 43.2422 175.7493 33 N 4.1178 9.6468 120.5197 54.7883 35.3797 175.5105 34 Q 4.0343 9.2109 114.2876 55.7254 27.7157 173.3634 35 K 4.9364 7.6733 116.3834 54.8297 35.8209 174.8298 36 A 4.7062 7.8807 121.3634 50.8769 19.5421 176.5704 37 E 4.5411 8.8560 122.6784 55.8944 31.1844 175.2443 38 C 5.6374 8.9656 123.6608 55.7031 38.2232 173.9009 39 K 4.8320 8.9636 123.1070 53.4959 36.3063 176.1153 40 Q 4.9650 8.5137 121.5565 54.5681 30.6267 175.0592 41 E 4.3823 9.1845 126.1882 56.0676 30.5278 176.5263 42 K 4.6444 8.5413 120.0280 55.3733 35.2206 176.0139 43 C 4.9597 8.2630 116.5894 54.6416 42.8705 173.9348 44 A 4.2006 8.3279 125.2664 51.4126 18.5743 176.1616 45 P 4.4375 0.0000 0.0000 62.6972 32.0083 175.3421 46 L 4.7635 7.8603 118.7228 53.1668 43.7402 175.7659 47 A 3.8030 8.4738 120.5083 52.7130 18.1677 178.1533 48 E 4.3958 8.8476 122.0307 56.8594 29.1149 176.4765 49 D 4.8008 8.3032 113.2687 52.1911 40.7772 174.7080 50 C 4.4150 8.2946 119.7830 57.1769 44.0076 172.8680 51 A 4.4168 8.4605 127.9028 51.9515 20.5360 176.0500 52 L 4.8515 7.4693 116.8480 53.5188 45.9378 174.9947 53 V 4.8623 8.2638 123.4886 61.3956 34.9485 174.4058 54 V 4.7274 9.0816 125.9188 59.8418 35.1241 173.8945 55 K 4.9177 8.4572 121.4261 54.8245 34.9021 176.0472 56 Q 4.1123 8.7202 122.2157 55.8267 29.3879 176.1563 57 T 3.9642 8.3472 111.2520 63.4248 68.8362 174.8447 58 G 3.9020 8.9569 113.3600 45.4474 0.0000 173.3821 59 A 4.3181 8.0617 122.4557 51.9756 19.5295 176.3789 60 C 4.5480 8.6960 119.1681 58.3922 44.6745 174.9619 61 C 4.7551 7.8656 115.7695 55.7724 40.8969 173.2861 62 E 4.6985 8.4947 122.2199 56.1054 30.6028 175.6657 63 K 4.7517 9.0790 119.3106 54.9187 36.8584 174.7866 64 C 4.6757 8.7840 118.6870 57.6943 39.9718 173.8102 65 K 3.9915 8.7623 126.7979 58.1256 32.6413 177.1411 66 G 3.7840 7.8163 113.0584 46.4331 0.0000 172.7209 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 W 8.27 4.72 0.00 3.43 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 1 L 6.72 2.45 0.00 0.27 1.06 0.30 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 2 I 7.64 4.33 1.81 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 1.30 0.78 0.90 0.00 0.00 3 T 8.36 4.53 4.23 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 1.22 0.00 0.00 4 G 8.44 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 0.00 0.00 0.00 0.00 5 T 8.23 4.62 4.25 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 1.22 0.00 0.00 6 E 8.67 4.16 0.00 2.08 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 2.28 2.31 0.00 7 A 8.48 4.33 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.37 5.15 0.00 3.99 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 9 C 8.84 4.78 0.00 2.96 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 10 E 8.86 4.14 0.00 1.96 2.01 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 2.22 2.26 0.00 11 N 7.85 4.60 0.00 2.94 2.99 0.00 0.00 6.16 7.66 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 12 E 8.58 3.85 0.00 2.01 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 2.41 2.30 0.00 13 G 9.83 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 14 E 7.52 4.81 0.00 1.96 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 0.00 2.33 2.20 0.00 15 V 8.36 4.10 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 0.63 0.00 0.00 0.92 0.00 0.00 16 L 8.32 4.64 0.00 1.61 1.46 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17 H 8.86 4.68 0.00 3.18 3.22 0.00 5.73 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.05 4.25 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.11 0.92 0.00 0.00 19 P 0.00 4.34 0.00 2.04 2.04 0.00 3.70 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 20 N 8.92 4.69 0.00 2.80 3.16 0.00 0.00 6.92 7.34 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 21 I 7.62 4.23 2.00 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 1.31 1.24 0.92 0.00 0.00 22 T 7.84 4.40 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 1.27 0.00 0.00 23 D 7.86 4.53 0.00 2.81 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 24 N 7.72 4.48 0.00 2.90 2.74 0.00 0.00 7.03 7.59 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 25 P 0.00 4.30 0.00 2.08 2.32 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 26 C 8.15 4.68 0.00 2.98 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 27 I 7.66 5.26 1.88 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 1.29 0.61 0.96 0.00 0.00 28 S 8.82 4.80 0.00 3.81 3.89 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 0.00 0.00 0.00 29 C 8.68 5.73 0.00 2.82 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 30 V 8.46 4.91 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 0.74 0.00 0.00 0.92 0.00 0.00 31 C 8.98 5.12 0.00 3.04 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 32 L 8.48 5.36 0.00 1.62 1.57 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 33 N 9.65 4.12 0.00 2.95 2.99 0.00 0.00 7.16 7.32 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 34 Q 9.21 4.03 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.60 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 35 K 7.67 4.94 0.00 1.98 1.87 0.00 1.43 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.45 7.81 36 A 7.88 4.71 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 37 E 8.86 4.54 0.00 1.91 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 2.25 2.41 0.00 38 C 8.97 5.64 0.00 2.81 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 39 K 8.96 4.83 0.00 1.38 1.60 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.25 1.22 7.81 40 Q 8.51 4.97 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.98 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 41 E 9.18 4.38 0.00 1.99 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 2.31 2.26 0.00 42 K 8.54 4.64 0.00 1.83 1.81 0.00 1.41 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.48 7.81 43 C 8.26 4.96 0.00 2.95 3.01 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 44 A 8.33 4.20 1.24 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 0.00 0.00 0.00 45 P 0.00 4.44 0.00 2.05 2.01 0.00 3.62 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 46 L 7.86 4.76 0.00 1.69 1.59 0.92 0.45 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 47 A 8.47 3.80 1.38 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 0.00 0.00 0.00 48 E 8.85 4.40 0.00 1.94 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 2.29 2.29 0.00 49 D 8.30 4.80 0.00 2.74 2.66 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 50 C 8.29 4.42 0.00 3.11 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 51 A 8.46 4.42 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.47 4.85 0.00 1.68 1.44 0.92 0.80 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 53 V 8.26 4.86 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 0.92 0.00 0.00 0.98 0.00 0.00 54 V 9.08 4.73 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 0.91 0.00 0.00 0.93 0.00 0.00 55 K 8.46 4.92 0.00 1.74 1.95 0.00 1.59 0.00 0.00 1.84 0.00 0.00 2.73 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.43 7.81 56 Q 8.72 4.11 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.09 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 57 T 8.35 3.96 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 1.21 0.00 0.00 58 G 8.96 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 59 A 8.06 4.32 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 60 C 8.70 4.55 0.00 3.11 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 61 C 7.87 4.76 0.00 3.00 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 62 E 8.49 4.70 0.00 1.97 1.95 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 2.27 2.31 0.00 63 K 9.08 4.75 0.00 1.75 1.88 0.00 1.32 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.50 7.81 64 C 8.78 4.68 0.00 2.88 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 65 K 8.76 3.99 0.00 1.73 1.83 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.54 7.81 66 G 7.82 3.78 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 0.00 0.00 0.00