NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3783 8.3044 120.3501 54.4883 32.7926 175.0349 2 K 3.6110 8.7701 118.3417 56.5616 32.4744 175.0233 3 R 4.4241 8.4903 124.5549 55.7185 32.8797 176.5946 4 T 4.3244 7.8479 115.4058 58.9295 65.5904 174.9221 5 F 5.1692 7.1397 119.7614 58.1466 40.9692 171.5169 6 Q 4.4145 8.5027 123.9807 52.2913 28.3134 173.8007 7 P 4.2813 0.0000 0.0000 63.3527 31.7446 177.4427 8 S 4.6219 8.5781 107.3415 56.6741 64.1792 177.5350 9 V 3.5008 7.6870 128.7565 64.8133 31.3491 177.2626 10 L 3.8591 8.0881 121.2106 57.8477 41.7104 178.6715 11 K 3.8071 8.1783 117.1354 59.8194 31.9916 178.8650 12 R 3.9163 8.3701 118.5809 60.6184 29.9692 176.8670 13 N 4.7181 8.5056 116.9991 54.1841 38.2366 176.7303 14 R 4.1743 7.9426 124.6854 59.6204 29.8317 178.6227 15 S 4.4100 8.1721 115.3704 60.5663 63.3672 174.4596 16 H 4.9151 7.8295 116.9861 55.0313 30.1391 173.6773 17 G 4.0188 8.6513 108.1499 43.8385 0.0000 173.9911 18 F 3.7388 8.3830 119.1397 61.4171 40.0140 176.7638 19 R 4.0568 8.5641 117.7891 59.5795 30.5304 178.3941 20 A 3.9356 8.0649 119.8071 55.6986 18.6782 180.2080 21 R 4.3459 8.6438 113.9167 56.6483 29.5318 177.8350 22 M 4.6316 8.3595 111.7020 54.6002 35.1920 175.4220 23 A 4.5847 7.6771 121.1419 51.8761 20.0037 176.5107 24 T 4.6589 7.1719 105.6711 58.5343 71.5846 173.3457 25 K 3.9694 7.8308 121.7794 59.1104 31.8272 178.2146 26 N 4.3495 8.1588 115.4097 56.4547 38.7926 177.2633 27 G 3.7184 8.1198 106.8927 48.1508 0.0000 175.6680 28 R 4.0250 8.0629 122.8022 58.3865 29.9652 178.3250 29 Q 3.9267 8.5019 119.9085 58.9731 28.8794 177.9727 30 V 3.5335 8.4026 120.2613 65.8578 31.5061 177.5314 31 L 3.8769 7.6316 118.0587 58.0917 41.5400 179.2304 32 A 3.9730 7.6362 120.1271 55.7287 18.2863 179.5572 33 R 3.7817 8.2033 116.1444 59.8533 30.1816 179.0200 34 R 3.8800 8.3085 118.4642 59.3890 29.7451 178.4025 35 R 3.9333 8.7796 117.8081 59.4701 29.9292 178.7439 36 A 4.0069 8.5358 119.8640 55.2123 18.6018 179.4845 37 K 3.9813 8.0026 116.4664 56.9908 33.5683 175.5510 38 G 3.6241 7.6646 107.2388 45.9922 0.0000 172.4330 39 R 4.4440 7.5200 119.2718 54.4169 31.6076 175.1181 40 A 3.9275 7.9671 127.3169 54.4503 18.9678 177.0674 41 R 4.3849 7.5681 113.5649 54.5452 31.3599 176.8214 42 L 4.1295 8.3552 124.5199 56.8808 42.1820 177.4604 43 T 4.3004 7.6436 111.8055 61.2296 71.0816 174.4284 44 V 3.2212 9.0240 127.5547 67.6464 29.4985 174.5823 45 S 3.8295 6.4256 117.7761 60.9864 65.3784 174.9815 46 K 4.0449 8.0955 124.9641 55.1146 32.1698 175.0108 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 M 8.30 4.38 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 K 8.77 3.61 0.00 1.84 1.74 0.00 1.99 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.54 7.81 3 R 8.49 4.42 0.00 1.87 1.91 0.00 3.45 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 4 T 7.85 4.32 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 1.23 0.00 0.00 5 F 7.14 5.17 0.00 2.91 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 6 Q 8.50 4.41 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.71 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 7 P 0.00 4.28 0.00 2.06 1.74 0.00 3.65 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.70 0.00 8 S 8.58 4.62 0.00 3.87 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 9 V 7.69 3.50 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 0.76 0.00 0.00 0.95 0.00 0.00 10 L 8.09 3.86 0.00 1.74 1.73 0.93 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.18 3.81 0.00 2.03 1.89 0.00 1.80 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.54 7.81 12 R 8.37 3.92 0.00 1.95 2.21 0.00 3.17 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 0.00 13 N 8.51 4.72 0.00 3.05 2.72 0.00 0.00 6.65 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 14 R 7.94 4.17 0.00 1.99 2.12 0.00 3.07 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.83 0.00 15 S 8.17 4.41 0.00 3.95 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.83 4.92 0.00 3.10 3.25 0.00 5.84 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.65 4.02 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 0.00 0.00 0.00 18 F 8.38 3.74 0.00 3.02 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 8.56 4.06 0.00 1.97 2.07 0.00 3.26 0.00 0.00 3.39 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.81 0.00 20 A 8.06 3.94 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 21 R 8.64 4.35 0.00 1.82 1.74 0.00 3.03 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.54 0.00 22 M 8.36 4.63 0.00 1.75 1.68 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.77 0.00 23 A 7.68 4.58 1.29 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 0.00 0.00 24 T 7.17 4.66 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 25 K 7.83 3.97 0.00 1.87 1.69 0.00 1.61 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.58 7.81 26 N 8.16 4.35 0.00 2.82 2.85 0.00 0.00 6.73 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 27 G 8.12 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 0.00 0.00 0.00 28 R 8.06 4.02 0.00 1.87 2.16 0.00 3.12 0.00 0.00 3.14 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.41 0.00 29 Q 8.50 3.93 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.55 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 30 V 8.40 3.53 2.26 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 1.04 0.00 0.00 0.93 0.00 0.00 31 L 7.63 3.88 0.00 1.79 1.71 0.34 0.82 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 32 A 7.64 3.97 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.20 3.78 0.00 2.08 2.02 0.00 3.12 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 34 R 8.31 3.88 0.00 2.05 1.97 0.00 3.13 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 35 R 8.78 3.93 0.00 2.00 2.01 0.00 3.23 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 36 A 8.54 4.01 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 37 K 8.00 3.98 0.00 1.86 2.01 0.00 1.89 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.47 7.81 38 G 7.66 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.52 4.44 0.00 1.76 1.83 0.00 3.31 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 40 A 7.97 3.93 1.26 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 0.00 0.00 0.00 41 R 7.57 4.38 0.00 1.83 1.90 0.00 3.23 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 42 L 8.36 4.13 0.00 1.75 1.83 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.64 4.30 4.48 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 0.00 0.00 0.00 1.25 0.00 0.00 44 V 9.02 3.22 2.13 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 0.85 0.00 0.00 1.00 0.00 0.00 45 S 6.43 3.83 0.00 4.05 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 46 K 8.10 4.04 0.00 1.85 1.94 0.00 1.67 0.00 0.00 1.76 0.00 0.00 3.22 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.24 1.24 7.81