NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3926 0.0000 0.0000 62.3311 32.2082 176.7168 3 S 4.1612 8.3055 119.1051 57.2131 65.3649 173.3257 4 K 3.8235 8.8171 123.0464 59.9924 32.3281 180.4563 5 L 4.1186 7.8689 119.4543 57.5946 41.8391 178.7218 6 A 4.1111 7.5521 120.0703 54.9851 18.7361 178.9636 7 L 4.0576 8.0812 117.6944 58.4536 41.3433 179.9333 8 I 3.7494 7.4064 117.9689 64.6065 36.9016 178.4745 9 Q 4.1315 7.9799 116.9088 57.7661 28.8729 177.3060 10 E 4.4899 7.9437 118.0707 56.1616 30.2174 177.5987 11 L 3.9765 7.5123 120.0297 57.3769 41.7711 177.2408 12 P 4.2318 0.0000 0.0000 66.2644 30.8412 177.7166 13 D 4.3256 8.0987 118.2676 57.0433 40.8291 178.8544 14 R 3.9071 8.0000 118.1805 59.4679 30.1277 179.0620 15 I 3.7045 8.0236 119.7507 64.3875 36.9951 178.0581 16 Q 3.9325 8.0426 120.1762 59.6079 28.6803 178.4032 17 T 3.8345 7.8532 115.0492 66.8758 68.6442 175.9155 18 A 4.1040 8.2409 121.2777 55.0938 18.6357 179.2574 19 V 3.8462 8.0083 116.4069 64.8620 31.7066 177.7648 20 E 3.8307 8.3372 117.8839 59.6647 28.9261 178.8955 21 A 4.0015 8.0909 120.5642 54.6118 18.6569 178.9025 22 A 4.1010 7.9398 117.8745 55.6346 18.3604 179.4664 23 M 4.1236 7.8177 115.6807 58.5192 32.1833 179.0914 24 G 3.8075 8.4289 101.1166 45.1121 0.0000 173.2822 25 M 4.2910 7.4656 120.7003 55.1511 32.9459 175.2079 26 S 4.7617 8.5611 118.8015 56.8348 64.2430 173.3894 27 Y 4.9983 7.6339 125.8281 56.5012 38.5067 177.1621 28 Q 3.9789 8.4494 122.2372 59.7650 28.8419 177.5843 29 D 4.7043 7.9563 114.0399 52.7944 39.9001 176.3072 30 A 4.2222 8.2440 123.4398 51.5217 19.1463 176.7231 31 P 4.5500 0.0000 0.0000 61.9272 33.4638 177.2467 32 N 4.2680 8.6815 116.7120 57.0788 38.7974 176.2147 33 N 4.2872 8.1265 117.6120 56.2577 37.3157 177.0454 34 V 3.5446 7.7285 120.1702 65.3949 31.5977 177.6573 35 R 3.9846 8.4252 118.9167 59.6682 29.9267 178.6501 36 R 3.9407 8.3798 118.1270 59.3632 30.0464 178.8822 37 D 4.2909 8.0280 118.6119 57.4518 40.9500 178.9017 38 L 3.8393 8.2529 119.5978 57.4114 41.2810 179.3793 39 D 4.4699 8.3462 119.5960 57.3006 40.7205 178.0716 40 N 4.2698 8.1637 117.6615 56.4648 38.8920 176.5386 41 L 3.8895 7.8514 121.7167 58.4243 42.1027 178.2457 42 H 3.9503 8.1609 117.7156 59.3814 29.6649 176.8828 43 A 3.9998 8.1892 122.4596 55.2278 18.1494 179.0527 44 C 4.0081 8.3561 117.4854 62.8104 31.6264 175.8292 45 L 3.9541 8.3327 120.8813 57.7541 41.0699 179.1285 46 N 4.2716 8.4640 117.3377 56.5524 38.8346 176.9176 47 K 3.9149 8.4435 121.2003 59.1972 32.2491 178.6021 48 A 3.9503 8.1929 121.2585 55.0486 18.3684 179.3594 49 K 3.8273 8.1897 118.1726 59.8877 32.3037 178.9811 50 L 4.0315 8.1941 119.3090 58.0204 41.4989 179.6958 51 T 3.9184 8.2244 116.1460 66.5664 68.3559 177.0009 52 V 3.6202 7.9920 120.2609 65.8708 31.4620 178.1712 53 S 4.1115 8.1743 114.9490 61.7071 62.6541 176.6716 54 R 3.9047 8.3929 120.8768 59.7608 29.9135 178.6294 55 M 3.8905 8.0588 117.6092 58.6764 32.1174 178.5019 56 V 3.5501 7.9687 118.1947 66.2739 31.6712 177.8649 57 T 3.8436 8.1133 115.8237 66.9741 68.1494 176.0540 58 S 4.2519 8.5238 113.8213 61.8200 62.6219 176.1542 59 L 4.1588 7.9185 121.2566 57.7924 41.2318 179.3437 60 L 4.1760 7.9299 117.1636 56.9111 41.6382 178.5031 61 E 4.4920 7.7314 117.4191 56.5884 30.0220 177.1789 62 K 4.2397 7.7162 119.8230 54.6406 32.4251 175.3586 63 P 4.2511 0.0000 0.0000 66.1280 30.8500 178.1422 64 S 4.1383 8.1465 113.7933 61.1225 62.6803 176.6003 65 V 3.6262 7.7224 121.3081 65.7064 31.2190 177.9688 66 V 3.6376 7.6865 116.4735 65.8391 31.5802 177.5379 67 A 4.1358 8.1780 120.6430 55.2981 18.0585 178.9413 68 Y 4.0522 7.8365 118.1495 60.7218 38.6347 177.5547 69 L 4.2112 7.7896 116.1785 55.0779 41.6606 177.1510 70 E 4.4610 7.9998 117.4429 54.7276 31.5801 176.3159 71 G 3.9440 7.5150 112.7507 45.7307 0.0000 173.7107 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 P 0.00 4.39 0.00 2.19 2.16 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 3 S 8.31 4.16 0.00 4.12 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 4 K 8.82 3.82 0.00 1.75 1.93 0.00 1.52 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.48 7.81 5 L 7.87 4.12 0.00 1.91 1.63 0.93 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 6 A 7.55 4.11 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 7 L 8.08 4.06 0.00 1.84 1.76 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 8 I 7.41 3.75 1.89 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 1.54 0.97 0.93 0.00 0.00 9 Q 7.98 4.13 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.73 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 10 E 7.94 4.49 0.00 2.15 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 2.24 2.41 0.00 11 L 7.51 3.98 0.00 1.82 1.74 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.23 0.00 2.26 2.33 0.00 3.63 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 2.08 2.08 0.00 13 D 8.10 4.33 0.00 2.84 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 14 R 8.00 3.91 0.00 2.00 1.98 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 15 I 8.02 3.70 2.01 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 1.54 1.10 0.91 0.00 0.00 16 Q 8.04 3.93 0.00 2.18 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 17 T 7.85 3.83 4.40 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 0.00 0.00 0.00 1.21 0.00 0.00 18 A 8.24 4.10 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 19 V 8.01 3.85 2.07 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 1.02 0.00 0.00 0.99 0.00 0.00 20 E 8.34 3.83 0.00 2.22 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.38 0.00 21 A 8.09 4.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.94 4.10 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 23 M 7.82 4.12 0.00 1.95 2.13 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.34 0.00 24 G 8.43 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 25 M 7.47 4.29 0.00 2.22 2.05 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.66 0.00 26 S 8.56 4.76 0.00 3.83 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.63 5.00 0.00 3.19 3.02 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 0.00 0.00 0.00 28 Q 8.45 3.98 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.16 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 29 D 7.96 4.70 0.00 2.79 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 30 A 8.24 4.22 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.55 0.00 2.33 2.01 0.00 3.64 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 32 N 8.68 4.27 0.00 2.76 2.82 0.00 0.00 6.60 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.13 4.29 0.00 3.03 3.08 0.00 0.00 5.71 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 34 V 7.73 3.54 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 0.86 0.00 0.00 0.92 0.00 0.00 35 R 8.43 3.98 0.00 2.13 2.18 0.00 3.20 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.95 0.00 36 R 8.38 3.94 0.00 2.13 1.97 0.00 3.33 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 37 D 8.03 4.29 0.00 2.81 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 38 L 8.25 3.84 0.00 0.54 0.52 0.43 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.35 4.47 0.00 2.88 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 40 N 8.16 4.27 0.00 2.98 2.92 0.00 0.00 6.86 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.85 3.89 0.00 1.85 1.77 0.87 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 42 H 8.16 3.95 0.00 3.57 3.39 0.00 5.65 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 43 A 8.19 4.00 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 44 C 8.36 4.01 0.00 3.05 3.12 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 0.00 0.00 0.00 45 L 8.33 3.95 0.00 1.62 1.67 0.88 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.46 4.27 0.00 3.06 2.82 0.00 0.00 6.84 7.95 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 47 K 8.44 3.91 0.00 1.93 1.93 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.46 7.81 48 A 8.19 3.95 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 49 K 8.19 3.83 0.00 1.82 2.06 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 50 L 8.19 4.03 0.00 1.72 1.70 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.22 3.92 4.41 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 1.21 0.00 0.00 52 V 7.99 3.62 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 0.97 0.00 0.00 53 S 8.17 4.11 0.00 4.09 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 54 R 8.39 3.90 0.00 2.07 1.99 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 55 M 8.06 3.89 0.00 2.26 2.07 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.60 0.00 56 V 7.97 3.55 2.22 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 1.02 0.00 0.00 1.01 0.00 0.00 57 T 8.11 3.84 4.40 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 0.00 0.00 0.00 1.24 0.00 0.00 58 S 8.52 4.25 0.00 3.82 4.17 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 0.00 0.00 0.00 0.00 59 L 7.92 4.16 0.00 2.02 1.71 0.93 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 60 L 7.93 4.18 0.00 1.63 1.74 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 61 E 7.73 4.49 0.00 2.01 2.00 0.00 0.00 0.00 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 2.59 0.00 62 K 7.72 4.24 0.00 1.98 1.78 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.67 7.81 63 P 0.00 4.25 0.00 2.26 2.34 0.00 3.69 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 64 S 8.15 4.14 0.00 4.08 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 65 V 7.72 3.63 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 1.08 0.00 0.00 0.94 0.00 0.00 66 V 7.69 3.64 2.22 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 0.90 0.00 0.00 1.00 0.00 0.00 67 A 8.18 4.14 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 7.84 4.05 0.00 3.07 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 69 L 7.79 4.21 0.00 1.68 1.65 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.00 4.46 0.00 2.13 1.90 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 2.20 2.29 0.00 71 G 7.51 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