NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3453 8.1733 122.0598 56.3225 32.3667 174.0079 3 L 4.7475 7.8426 121.6979 53.0167 44.3219 176.1417 4 C 4.6981 9.9739 121.4257 54.6814 42.9143 174.3465 5 E 4.0739 7.9189 127.5331 55.0572 26.8245 176.4923 6 R 3.9813 7.0083 122.6262 54.8596 32.0454 174.7299 7 P 4.6313 0.0000 0.0000 62.7365 31.8902 175.9800 8 S 4.2507 8.9704 119.4626 59.2237 62.9170 174.9642 9 G 3.9788 9.5821 113.2317 49.0196 0.0000 174.2626 10 T 4.1644 7.8531 110.0098 63.3485 69.9389 175.6899 11 W 4.5893 7.8424 135.0000 56.1709 29.5734 177.5233 12 S 4.6574 7.8329 122.3750 55.4588 61.8909 173.1261 13 G 4.0951 7.1426 108.5790 45.4658 0.0000 170.9717 14 V 4.1769 8.9748 118.9552 62.8961 32.3122 174.6339 15 C 4.3177 8.9308 120.7837 56.9783 42.9265 175.1588 16 G 3.9437 8.0548 105.8358 44.7081 0.0000 172.5502 17 N 4.2852 7.4146 112.6847 51.4792 41.3908 174.6295 18 N 4.2736 8.7401 125.0536 56.7523 39.0800 175.7332 19 N 4.2451 8.2207 117.5887 56.7469 38.9746 176.2754 20 A 4.0866 8.8508 122.2032 55.4338 18.5107 178.2867 21 C 3.5862 8.1553 116.9764 60.1052 44.5706 175.2771 22 K 3.7767 8.3242 120.8045 60.5993 31.6772 177.3964 23 N 4.2331 8.8379 116.7830 56.5735 38.7523 176.2983 24 Q 4.0093 8.9663 120.6298 59.8603 29.3875 178.4857 25 C 4.5438 8.9520 120.9032 59.3406 43.5180 175.4206 26 I 3.8964 7.8557 114.7393 62.1574 37.5521 177.3729 27 N 4.4676 8.4272 119.3929 57.4543 39.0344 176.1793 28 L 4.1916 8.2209 120.3511 56.2300 42.3037 179.0692 29 E 4.3458 8.6216 116.2995 55.7290 31.6427 177.1544 30 K 4.4334 8.1174 115.2252 55.9373 32.5834 176.2288 31 A 4.0941 7.7953 122.3558 52.4439 18.1054 177.3466 32 R 4.2065 8.1845 118.5157 56.6731 30.9320 177.2283 33 H 5.0602 7.6738 111.8906 54.3524 32.2120 172.9040 34 G 4.7046 8.1743 104.5674 45.6581 0.0000 171.9335 35 S 4.6169 8.9105 114.0893 57.1129 67.9487 175.3992 36 C 4.8112 8.8865 124.4744 55.7303 41.6348 173.0643 37 N 4.7008 7.8196 120.3758 52.8866 40.6334 175.2743 38 Y 4.6194 8.5205 131.1420 55.4834 37.3189 177.3944 39 V 3.0775 7.6148 117.1137 61.0647 31.7805 170.7214 40 F 4.0255 8.3387 125.7575 58.0554 39.7964 173.6324 41 P 3.0711 0.0000 0.0000 64.6147 31.4609 175.8836 42 A 4.9399 7.1283 119.1222 49.1182 21.9181 175.1838 43 H 4.6287 8.6684 115.8733 56.2626 29.3018 175.0147 44 K 4.5707 8.4271 120.8514 55.4811 36.0403 176.2151 45 C 4.2763 8.6582 122.9766 56.2752 41.0219 171.7717 46 I 4.4325 8.2655 124.2442 60.7127 38.4553 173.9155 47 C 5.3698 9.0771 125.3980 55.4003 48.0061 172.5324 48 Y 4.7965 9.4550 124.1207 56.7799 38.6012 174.2536 49 F 5.1458 8.7248 124.2777 55.2566 41.0317 174.8863 50 P 5.0559 0.0000 0.0000 62.5758 28.7083 175.2694 51 C 4.5309 8.4754 121.6920 56.4520 42.7840 174.5162 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 2 K 8.17 4.35 0.00 1.92 1.81 0.00 1.57 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.62 7.81 3 L 7.84 4.75 0.00 1.92 1.72 1.03 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 4 C 9.97 4.70 0.00 2.70 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 5 E 7.92 4.07 0.00 1.49 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 1.82 1.47 0.00 6 R 7.01 3.98 0.00 0.67 1.15 0.00 3.12 0.00 0.00 3.39 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.32 0.00 7 P 0.00 4.63 0.00 2.10 1.98 0.00 3.74 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 8 S 8.97 4.25 0.00 3.98 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 0.00 9 G 9.58 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 10 T 7.85 4.16 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 1.26 0.00 0.00 11 W 7.84 4.59 0.00 3.34 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 12 S 7.83 4.66 0.00 3.98 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 13 G 7.14 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 0.00 0.00 0.00 14 V 8.97 4.18 2.19 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 1.08 0.00 0.00 0.96 0.00 0.00 15 C 8.93 4.32 0.00 2.67 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.05 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 17 N 7.41 4.29 0.00 2.83 2.81 0.00 0.00 6.89 6.63 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 18 N 8.74 4.27 0.00 2.86 2.79 0.00 0.00 6.75 6.72 0.00 0.00 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 N 8.22 4.25 0.00 2.89 2.99 0.00 0.00 7.02 8.22 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 20 A 8.85 4.09 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.16 3.59 0.00 2.31 3.10 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 22 K 8.32 3.78 0.00 2.04 2.10 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.52 7.81 23 N 8.84 4.23 0.00 2.95 3.04 0.00 0.00 7.00 7.90 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 24 Q 8.97 4.01 0.00 2.39 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.85 0.00 0.00 0.00 0.00 0.00 2.46 2.69 0.00 25 C 8.95 4.54 0.00 3.18 3.30 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 26 I 7.86 3.90 2.01 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 1.73 1.27 1.12 0.00 0.00 27 N 8.43 4.47 0.00 2.98 3.09 0.00 0.00 7.61 7.82 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 28 L 8.22 4.19 0.00 1.83 1.62 1.02 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.62 4.35 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 2.32 2.14 0.00 30 K 8.12 4.43 0.00 1.67 1.80 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.29 1.30 7.81 31 A 7.80 4.09 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.18 4.21 0.00 1.85 1.94 0.00 3.33 0.00 0.00 3.31 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 33 H 7.67 5.06 0.00 3.06 3.28 0.00 5.44 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.17 4.70 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 0.00 0.00 0.00 35 S 8.91 4.62 0.00 3.83 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 36 C 8.89 4.81 0.00 2.80 2.98 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 37 N 7.82 4.70 0.00 2.93 2.63 0.00 0.00 6.59 7.49 0.00 0.00 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 Y 8.52 4.62 0.00 2.75 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 0.00 0.00 0.00 39 V 7.61 3.08 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 0.64 0.00 0.00 0.83 0.00 0.00 40 F 8.34 4.03 0.00 2.95 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 41 P 0.00 3.07 0.00 1.69 0.60 0.00 3.51 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.55 0.00 42 A 7.13 4.94 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 43 H 8.67 4.63 0.00 3.23 3.25 0.00 5.59 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.43 4.57 0.00 1.75 1.66 0.00 1.71 0.00 0.00 1.51 0.00 0.00 2.75 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.22 1.44 7.81 45 C 8.66 4.28 0.00 1.74 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.27 4.43 1.79 0.00 0.00 0.69 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 0.67 0.52 0.00 0.00 47 C 9.08 5.37 0.00 3.02 3.10 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 48 Y 9.45 4.80 0.00 2.75 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 49 F 8.72 5.15 0.00 2.97 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 P 0.00 5.06 0.00 2.12 2.15 0.00 3.87 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 51 C 8.48 4.53 0.00 3.12 3.19 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