NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.7209 8.4093 119.2104 53.3544 39.8920 173.2747 4 K 4.7209 8.3871 123.6665 54.7333 35.7368 174.5151 5 L 4.4341 8.2079 119.1441 53.8942 43.0385 176.0990 6 W 4.7247 8.5985 115.8667 56.0207 30.5471 174.9458 7 R 3.6846 8.6702 113.5848 57.9665 27.0854 178.2013 8 T 4.0781 7.9922 113.6170 66.2219 69.3081 175.4176 9 H 4.0281 8.2682 119.2739 55.9398 30.0767 173.6832 10 P 4.5092 0.0000 0.0000 63.4080 29.1719 176.7170 11 R 4.2739 7.8702 132.8926 56.7982 28.9355 176.2288 12 N 4.7785 7.8329 115.8929 54.9454 40.1124 175.8824 13 Y 4.7755 7.3185 112.3061 57.9198 40.6501 173.1411 14 G 3.6091 9.0611 107.8818 43.8790 0.0000 173.4964 15 K 3.7799 8.6102 117.0283 59.7297 31.9595 177.6836 16 D 4.4789 7.9155 116.0971 55.8312 41.2179 176.3663 17 S 4.7286 8.1277 113.5922 57.9643 63.2131 173.4976 18 K 4.6705 7.6579 118.4358 55.4367 35.4506 175.1133 19 E 4.7443 8.3268 119.3456 55.3595 33.8962 174.4042 20 C 4.4889 8.2964 121.1565 58.7700 31.8090 175.0850 21 R 3.9254 8.3342 127.8274 59.1444 31.3840 177.8030 22 V 3.7713 8.2122 109.3330 62.1691 30.1257 177.0290 23 C 3.7424 9.3670 127.2284 60.4270 29.9899 176.9522 24 G 3.9481 8.1102 106.7611 45.0744 0.0000 173.1395 25 A 4.2538 7.3217 121.9801 52.3876 18.8794 177.7993 26 R 4.4928 7.7574 113.5862 56.1592 30.7558 176.5597 27 Q 3.9920 8.0999 118.3747 56.1530 29.3309 175.7491 28 G 3.7471 7.8960 103.5232 42.7445 0.0000 171.1611 29 L 3.6466 8.3542 128.4150 53.5758 42.2686 175.2459 30 I 4.2742 8.2414 125.9350 60.8055 34.8326 173.3447 31 T 3.9843 8.7071 124.3565 63.4376 68.1898 171.1855 32 K 4.1893 8.1898 123.8293 56.2202 32.7331 175.9326 33 Y 4.5876 8.5367 125.0229 58.4643 41.3021 173.0743 34 E 4.5061 8.3840 121.9671 56.3655 27.6369 175.0634 35 M 4.4631 7.7981 116.2717 53.5508 32.5518 176.3543 36 M 4.3108 8.6080 124.7441 56.2242 32.7548 175.5442 37 T 5.0183 8.1430 119.5048 62.3562 73.4985 173.7031 38 C 5.0608 8.9453 119.5787 56.2984 31.1589 173.9558 39 R 3.8835 8.3901 116.4470 59.8074 28.2690 178.5719 40 R 3.9156 7.9418 119.1224 58.8901 30.5502 178.2424 41 C 4.2753 8.0796 115.3920 62.7182 28.2364 175.6475 42 F 4.0019 8.3994 122.2310 61.6665 38.7810 177.1745 43 R 3.9149 8.0558 116.1073 59.4258 29.8512 178.5664 44 E 4.0414 7.6790 117.4669 59.2718 29.9691 178.6900 45 Q 4.0773 7.8769 116.0816 57.2978 29.0380 178.1043 46 A 3.5027 7.7126 123.5103 54.4945 18.2132 177.9236 47 P 4.3508 0.0000 0.0000 66.0319 31.4175 177.6551 48 H 4.5787 8.2413 115.3720 57.7509 28.8917 176.6159 49 I 3.9080 7.5826 120.6699 63.6131 38.0373 176.2163 50 G 4.1128 8.2600 109.3637 46.4001 0.0000 174.7445 51 F 4.4239 7.3866 114.4713 55.5486 41.2448 175.8806 52 V 3.8603 8.0333 119.3113 60.7642 32.6901 174.9793 53 K 3.9533 7.5885 118.8644 53.9856 34.1048 176.2807 54 Y 3.7552 8.3886 119.8368 58.1026 37.9722 172.6027 55 R 4.1148 7.4185 125.1506 58.0281 30.0242 175.2714 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 3 N 8.41 4.72 0.00 2.72 2.83 0.00 0.00 6.78 5.80 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 4 K 8.39 4.72 0.00 2.36 1.90 0.00 2.28 0.00 0.00 2.01 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.65 7.81 5 L 8.21 4.43 0.00 1.63 1.68 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 6 W 8.60 4.72 0.00 3.65 3.09 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 0.00 0.00 0.00 0.00 7 R 8.67 3.68 0.00 0.98 1.59 0.00 3.19 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.65 0.00 8 T 7.99 4.08 4.29 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 1.23 0.00 0.00 9 H 8.27 4.03 0.00 3.09 3.29 0.00 5.94 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.51 0.00 2.27 2.08 0.00 3.43 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.89 0.00 11 R 7.87 4.27 0.00 1.90 1.92 0.00 3.23 0.00 0.00 3.21 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.87 0.00 12 N 7.83 4.78 0.00 2.96 2.98 0.00 0.00 7.04 7.46 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 13 Y 7.32 4.78 0.00 3.09 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 14 G 9.06 3.61 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 0.00 0.00 0.00 15 K 8.61 3.78 0.00 1.70 1.90 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.38 7.81 16 D 7.92 4.48 0.00 2.59 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 17 S 8.13 4.73 0.00 4.08 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 18 K 7.66 4.67 0.00 1.71 1.70 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.62 7.81 19 E 8.33 4.74 0.00 1.91 1.81 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 2.37 2.31 0.00 20 C 8.30 4.49 0.00 3.03 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 21 R 8.33 3.93 0.00 1.90 1.99 0.00 3.25 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.86 0.00 22 V 8.21 3.77 2.10 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 0.75 0.00 0.00 0.96 0.00 0.00 23 C 9.37 3.74 0.00 3.11 3.25 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.11 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.32 4.25 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.76 4.49 0.00 2.03 2.01 0.00 3.07 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 27 Q 8.10 3.99 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.61 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 28 G 7.90 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 29 L 8.35 3.65 0.00 1.77 1.57 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 30 I 8.24 4.27 1.87 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 1.39 0.64 0.92 0.00 0.00 31 T 8.71 3.98 4.22 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 1.04 0.00 0.00 32 K 8.19 4.19 0.00 1.78 1.75 0.00 1.82 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.45 7.81 33 Y 8.54 4.59 0.00 2.90 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 34 E 8.38 4.51 0.00 2.18 2.41 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 2.18 2.25 0.00 35 M 7.80 4.46 0.00 2.12 2.15 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 2.45 2.50 0.00 36 M 8.61 4.31 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.55 0.00 37 T 8.14 5.02 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 1.34 0.00 0.00 38 C 8.95 5.06 0.00 3.12 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 39 R 8.39 3.88 0.00 2.07 2.20 0.00 3.01 0.00 0.00 3.34 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 40 R 7.94 3.92 0.00 1.81 2.09 0.00 3.22 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 41 C 8.08 4.28 0.00 3.00 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 42 F 8.40 4.00 0.00 3.08 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 43 R 8.06 3.91 0.00 1.98 1.97 0.00 3.24 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.98 0.00 44 E 7.68 4.04 0.00 2.15 1.94 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 2.30 2.47 0.00 45 Q 7.88 4.08 0.00 1.94 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.63 2.36 0.00 46 A 7.71 3.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.35 0.00 2.14 2.11 0.00 3.63 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.89 0.00 48 H 8.24 4.58 0.00 3.20 3.35 0.00 5.67 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.58 3.91 2.13 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.71 1.09 0.00 0.00 50 G 8.26 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 0.00 0.00 0.00 51 F 7.39 4.42 0.00 2.97 3.01 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 52 V 8.03 3.86 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 0.73 0.00 0.00 0.73 0.00 0.00 53 K 7.59 3.95 0.00 1.70 1.54 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.33 7.81 54 Y 8.39 3.76 0.00 3.03 3.17 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 55 R 7.42 4.11 0.00 1.88 1.93 0.00 3.31 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00