NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.6874 8.3249 119.4881 57.4615 40.3522 173.5461 2 E 4.5316 8.4697 120.9293 53.4677 32.5620 174.5682 3 N 4.5946 9.4221 120.6752 53.6653 39.3802 174.5648 4 R 4.6093 8.3428 124.6007 56.2282 30.8353 178.3992 5 V 3.6645 8.3645 122.1620 66.0281 31.3849 177.8963 6 A 4.2923 7.9062 121.5140 54.5128 18.1367 179.3105 7 E 3.9233 8.1333 116.8012 59.5036 29.5942 179.5719 8 K 4.0988 7.9215 118.0267 59.5684 31.7762 179.2697 9 Q 4.0959 8.8123 118.7609 58.9459 28.4347 179.0902 10 K 3.9298 8.0251 119.2185 59.4328 32.5966 177.8833 11 L 3.8952 8.0118 120.8261 58.5518 41.7152 178.7492 12 F 4.3291 8.1524 114.2754 58.6347 39.1843 176.6581 13 Q 4.5556 7.5833 116.1580 54.1135 29.4477 175.1537 14 E 3.8146 7.3652 121.7992 57.0246 30.4640 177.4084 15 D 4.6385 8.4918 128.1270 53.2921 39.8524 175.4009 16 N 4.7146 7.8282 113.6605 52.0330 38.1602 177.0555 17 G 3.9312 8.2508 105.4713 46.1385 0.0000 174.4772 18 L 4.1476 7.9139 120.1538 53.6770 42.3822 175.3452 19 P 4.5419 0.0000 0.0000 62.0211 32.3614 177.4570 20 V 3.7182 8.5927 119.7179 65.3382 31.0198 177.6551 21 H 4.5087 8.1890 113.2821 56.7155 28.8457 175.4156 22 L 4.6186 7.9788 119.6769 54.3553 42.5630 177.6121 23 K 4.1363 7.8959 120.1126 57.8113 32.3298 177.7829 24 G 3.5986 8.7947 107.0934 46.5480 0.0000 172.4422 25 G 3.7064 7.5350 105.2544 43.7515 0.0000 174.0805 26 A 4.0325 8.7613 120.1260 55.5675 18.1100 179.9961 27 T 3.8585 7.9254 113.8146 66.8949 68.4603 176.1001 28 D 4.4688 8.0079 120.3506 57.6447 40.8675 178.8219 29 N 4.4537 8.0397 116.2423 56.4166 38.5831 177.4310 30 I 3.7571 7.7712 121.2464 64.2081 37.1156 178.3087 31 L 3.9341 8.1388 121.2120 58.2081 41.8877 178.0033 32 Y 4.1615 8.2922 119.8004 61.1768 38.6527 178.7012 33 R 3.5940 8.0901 118.5966 59.0290 30.1070 179.2657 34 V 3.5303 8.1018 118.4943 66.1425 31.4298 178.2713 35 T 3.7738 8.0720 115.7483 66.9724 68.3399 176.4484 36 M 3.8646 7.8811 120.2873 58.7322 32.0675 178.4508 37 T 3.7946 7.9082 116.0232 66.5666 68.5708 176.6417 38 L 3.9554 7.9695 120.8927 57.9999 41.5486 179.4318 39 C 4.1384 8.2743 116.8338 62.7182 28.0761 176.2596 40 L 4.0967 8.1969 120.7511 57.6464 41.3719 179.5186 41 G 3.8031 8.7407 106.1741 48.0033 0.0000 175.9588 42 G 3.7419 8.4764 108.4196 47.6664 0.0000 176.0612 43 T 3.9655 8.3102 118.3171 66.4376 68.3956 176.8368 44 L 4.1104 8.0712 121.1499 57.8895 41.6012 178.8454 45 Y 4.4426 8.4114 119.8994 60.5734 38.7299 177.9574 46 S 3.9409 8.5693 115.8673 61.3641 62.9372 176.5994 47 L 4.0207 7.8748 122.3121 57.4545 41.2496 178.6232 48 Y 4.1063 8.0660 119.5583 61.1854 38.7630 178.1401 49 C 3.9135 8.1487 117.6083 62.6460 28.1367 176.0170 50 L 4.0758 8.0013 122.1749 57.7842 41.4382 178.9875 51 G 3.7509 7.9852 105.0295 47.6616 0.0000 174.9473 52 W 4.0492 8.1159 131.2483 60.0217 30.6091 177.6396 53 A 4.2118 8.4057 118.1639 53.8529 18.0746 178.9088 54 S 4.0187 7.9493 112.7413 58.8782 63.3083 174.0978 55 F 4.6533 6.8689 119.7982 54.2472 42.0672 173.1570 56 P 4.3120 0.0000 0.0000 63.3352 31.7183 176.0742 57 H 4.5316 8.3228 117.8594 57.0802 29.4727 175.1006 58 K 4.2232 8.0685 124.1543 57.0319 32.0940 174.7460 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 F 8.32 4.69 0.00 2.91 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.47 4.53 0.00 2.03 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 0.00 2.22 2.40 0.00 3 N 9.42 4.59 0.00 2.71 2.79 0.00 0.00 6.92 7.65 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 4 R 8.34 4.61 0.00 1.90 1.93 0.00 3.33 0.00 0.00 3.58 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 5 V 8.36 3.66 2.20 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 1.03 0.00 0.00 0.96 0.00 0.00 6 A 7.91 4.29 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 E 8.13 3.92 0.00 2.27 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 2.41 2.42 0.00 8 K 7.92 4.10 0.00 2.05 2.10 0.00 1.96 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.71 1.73 7.81 9 Q 8.81 4.10 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.62 0.00 10 K 8.03 3.93 0.00 1.75 1.98 0.00 1.83 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.44 7.81 11 L 8.01 3.90 0.00 1.60 1.59 0.68 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.15 4.33 0.00 3.14 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 13 Q 7.58 4.56 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 14 E 7.37 3.81 0.00 2.01 1.89 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 2.29 2.24 0.00 15 D 8.49 4.64 0.00 2.67 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 16 N 7.83 4.71 0.00 2.80 2.84 0.00 0.00 6.35 7.00 0.00 0.00 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 G 8.25 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.91 4.15 0.00 1.74 1.58 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.54 0.00 2.24 2.17 0.00 3.64 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 1.82 1.85 0.00 20 V 8.59 3.72 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 0.90 0.00 0.00 0.92 0.00 0.00 21 H 8.19 4.51 0.00 3.32 3.46 0.00 5.47 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.98 4.62 0.00 1.51 1.58 0.72 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.90 4.14 0.00 1.94 2.15 0.00 2.02 0.00 0.00 2.00 0.00 0.00 2.96 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.36 1.37 7.81 24 G 8.79 3.60 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 0.00 0.00 0.00 25 G 7.54 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.76 4.03 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 27 T 7.93 3.86 4.28 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 1.24 0.00 0.00 28 D 8.01 4.47 0.00 2.98 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 29 N 8.04 4.45 0.00 2.94 2.93 0.00 0.00 7.13 7.48 0.00 0.00 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 I 7.77 3.76 2.02 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.61 0.93 0.00 0.00 31 L 8.14 3.93 0.00 1.97 1.73 0.94 0.76 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 32 Y 8.29 4.16 0.00 3.23 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 33 R 8.09 3.59 0.00 2.14 1.93 0.00 3.31 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.81 0.00 34 V 8.10 3.53 2.20 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 1.01 0.00 0.00 0.94 0.00 0.00 35 T 8.07 3.77 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 1.19 0.00 0.00 36 M 7.88 3.86 0.00 1.57 1.48 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 37 T 7.91 3.79 4.34 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 1.17 0.00 0.00 38 L 7.97 3.96 0.00 1.81 1.70 0.90 0.77 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 39 C 8.27 4.14 0.00 2.93 2.97 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 0.00 0.00 0.00 40 L 8.20 4.10 0.00 1.67 1.71 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.74 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.48 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 0.00 0.00 0.00 43 T 8.31 3.97 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 1.24 0.00 0.00 44 L 8.07 4.11 0.00 1.93 1.79 0.95 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.41 4.44 0.00 3.06 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 46 S 8.57 3.94 0.00 4.04 4.11 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 0.00 0.00 0.00 47 L 7.87 4.02 0.00 1.93 1.81 0.96 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.07 4.11 0.00 3.23 3.27 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 49 C 8.15 3.91 0.00 3.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.00 4.08 0.00 1.86 1.81 0.91 0.77 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 51 G 7.99 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.12 4.05 0.00 3.00 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 53 A 8.41 4.21 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 54 S 7.95 4.02 0.00 3.83 3.32 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 55 F 6.87 4.65 0.00 2.79 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.31 0.00 2.10 1.98 0.00 3.83 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 57 H 8.32 4.53 0.00 2.96 3.34 0.00 6.01 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.07 4.22 0.00 1.80 1.79 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.33 7.81