NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3647 8.1576 122.0496 56.3300 34.0750 174.1822 2 S 4.6355 8.6138 122.5626 57.2538 63.9846 172.5859 3 C 5.2351 10.3545 124.8267 55.1247 38.2037 173.7949 4 C 5.3518 9.0587 120.6398 55.0291 43.2143 175.6514 5 R 3.4288 7.8216 121.2631 58.8684 29.8469 176.8659 6 S 4.6430 7.4050 110.2570 55.7528 66.4033 174.7522 7 T 3.9004 8.4125 110.6612 64.7507 68.3410 176.2458 8 L 4.0652 7.9511 122.9333 57.9439 42.0504 179.0585 9 G 3.6774 7.9695 105.2641 47.2587 0.0000 175.8619 10 R 3.9603 7.6848 121.0065 59.6613 30.1915 177.7873 11 N 4.3015 8.2447 116.2236 56.6345 38.3652 176.1519 12 C 4.0219 8.3556 119.4644 60.3463 38.6149 175.5294 13 Y 3.9123 7.8453 120.6506 60.6791 38.2569 177.2984 14 N 4.4507 8.8606 116.6826 55.7003 38.6984 176.5152 15 L 4.2248 7.8641 120.5843 56.8782 42.5423 177.3534 16 C 4.3593 7.6402 118.6184 59.2834 43.4851 175.2903 17 R 3.6690 7.5197 119.2765 57.4370 29.5696 178.5412 18 A 4.0704 7.7280 120.3038 55.0580 18.6760 178.8672 19 R 4.3550 7.8882 113.9157 56.3059 31.4178 176.9757 20 G 3.9834 8.0643 107.3502 43.3067 0.0000 172.6875 21 A 4.3617 8.0237 121.7038 51.1277 20.5204 178.8530 22 Q 4.0193 8.4354 118.9231 59.5294 28.8837 179.5719 23 K 4.0405 7.9948 118.8908 59.1273 32.1488 179.1900 24 L 3.9558 7.8458 120.2674 58.4782 42.1597 179.6299 25 C 4.2895 7.9938 116.3724 59.7058 36.2779 175.8018 26 A 4.3431 8.5642 122.8971 55.4432 17.8112 180.0127 27 G 3.6262 7.7746 102.1817 47.9606 0.0000 175.8237 28 V 3.7934 7.7342 119.7913 65.4254 31.7147 176.7111 29 C 4.5571 8.3350 113.5150 56.0616 39.9095 173.0926 30 R 3.7780 8.1369 118.2382 57.7814 26.0209 175.6362 31 C 5.7044 8.8137 113.7419 55.1025 42.4773 175.0049 32 K 4.7164 9.7055 122.4192 54.6794 35.3913 175.0773 33 I 4.8259 8.2299 125.7677 59.7192 38.9239 175.4613 34 S 4.5026 8.7664 122.7628 57.4135 64.4549 174.8141 35 S 4.3136 8.6023 115.9419 60.8779 63.2868 175.8819 36 G 3.9126 7.7581 106.8304 45.6342 0.0000 171.9027 37 L 4.4950 8.3695 116.6137 54.5907 43.3906 176.5453 38 S 4.6961 7.8039 112.5608 56.5805 63.9045 173.5091 39 C 4.6425 8.4498 124.0378 54.8502 40.7218 172.0339 40 P 4.4101 0.0000 0.0000 62.4510 31.5883 177.1533 41 K 4.0876 8.5927 120.4564 59.1485 32.2727 178.1459 42 G 3.9878 8.1166 105.7904 46.8760 0.0000 173.7537 43 F 5.1513 7.9900 116.2373 54.4037 39.6345 172.5301 44 P 4.4316 0.0000 0.0000 65.2983 32.5226 177.5659 45 K 4.1488 7.9352 122.6055 56.3087 32.0574 176.6215 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 K 8.16 4.36 0.00 1.84 1.71 0.00 1.86 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.44 7.81 2 S 8.61 4.64 0.00 3.16 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 3 C 10.35 5.24 0.00 2.84 3.31 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 0.00 4 C 9.06 5.35 0.00 2.68 2.89 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 5 R 7.82 3.43 0.00 1.41 1.76 0.00 3.00 0.00 0.00 3.06 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.50 0.00 6 S 7.41 4.64 0.00 3.90 3.86 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 0.00 0.00 0.00 7 T 8.41 3.90 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 1.20 0.00 0.00 8 L 7.95 4.07 0.00 1.77 1.70 0.92 1.04 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 9 G 7.97 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 R 7.68 3.96 0.00 1.91 2.16 0.00 3.20 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 11 N 8.24 4.30 0.00 3.03 2.86 0.00 0.00 6.69 7.06 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 12 C 8.36 4.02 0.00 3.03 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.85 3.91 0.00 3.15 3.11 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 14 N 8.86 4.45 0.00 2.95 2.91 0.00 0.00 6.99 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.86 4.22 0.00 1.63 1.90 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 16 C 7.64 4.36 0.00 2.98 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 17 R 7.52 3.67 0.00 1.75 1.87 0.00 3.08 0.00 0.00 2.82 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.35 0.00 18 A 7.73 4.07 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 19 R 7.89 4.35 0.00 1.75 1.96 0.00 3.33 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 20 G 8.06 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 21 A 8.02 4.36 1.28 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 0.00 0.00 22 Q 8.44 4.02 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.85 0.00 0.00 0.00 0.00 0.00 2.55 2.49 0.00 23 K 7.99 4.04 0.00 1.82 1.88 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.52 7.81 24 L 7.85 3.96 0.00 1.75 1.65 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 25 C 7.99 4.29 0.00 2.92 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 26 A 8.56 4.34 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.77 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.73 3.79 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.94 0.00 0.00 29 C 8.34 4.56 0.00 3.17 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 30 R 8.14 3.78 0.00 2.03 2.03 0.00 3.04 0.00 0.00 3.32 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 31 C 8.81 5.70 0.00 2.78 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 32 K 9.71 4.72 0.00 1.01 1.17 0.00 0.82 0.00 0.00 1.33 0.00 0.00 2.64 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.09 0.99 7.81 33 I 8.23 4.83 1.86 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.76 0.91 0.00 0.00 34 S 8.77 4.50 0.00 3.78 3.76 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 35 S 8.60 4.31 0.00 3.85 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 36 G 7.76 3.91 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 0.00 37 L 8.37 4.50 0.00 1.61 1.70 0.92 0.76 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 38 S 7.80 4.70 0.00 3.81 3.72 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 0.00 0.00 0.00 0.00 39 C 8.45 4.64 0.00 3.00 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 40 P 0.00 4.41 0.00 2.17 1.98 0.00 3.55 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 1.92 2.02 0.00 41 K 8.59 4.09 0.00 1.73 1.86 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 1.44 1.45 7.81 42 G 8.12 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 0.00 0.00 0.00 43 F 7.99 5.15 0.00 2.86 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 P 0.00 4.43 0.00 2.18 2.19 0.00 3.94 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 1.97 1.98 0.00 45 K 7.94 4.15 0.00 1.93 1.73 0.00 1.67 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.42 7.81