NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4288 8.2893 120.3264 54.7261 34.0430 175.9553 2 P 4.1322 0.0000 0.0000 61.6407 33.0083 172.9968 3 K 3.7057 9.9327 123.2301 57.6667 31.6655 179.9240 4 M 3.3880 10.0549 118.8029 56.1432 29.3226 175.3584 5 K 5.2350 6.9737 120.4195 54.9473 36.7677 177.5656 6 T 4.1341 8.3946 114.1100 63.3660 63.2564 175.2818 7 H 3.9967 7.1503 122.7206 58.9249 29.5471 175.8161 8 K 4.1818 8.5515 120.5741 58.3400 31.5521 179.1362 9 G 4.0223 7.9697 108.0415 48.3278 0.0000 174.5876 10 A 4.3483 8.1481 122.3216 55.3541 18.5606 179.5822 11 K 4.2105 8.5882 116.2661 58.0549 32.3687 177.3272 12 K 4.1143 8.3665 121.1093 55.7424 31.7884 176.9391 13 R 3.1398 9.2057 127.7795 58.5491 30.2382 175.3546 14 V 3.1581 8.3148 114.2460 63.9416 28.6204 171.3466 15 K 4.6160 8.5421 121.2739 53.9860 35.7549 175.7969 16 I 5.3619 8.3965 122.6841 58.7634 38.3939 175.6245 17 T 4.0095 8.3173 116.7958 61.1168 69.0877 176.7637 18 A 4.3749 8.6391 131.6275 51.9165 17.6782 177.9949 19 S 4.4349 9.4179 115.9420 60.0502 63.9726 174.6361 20 G 4.2771 8.9449 109.9329 45.3058 0.0000 173.3058 21 K 5.0341 8.0184 116.2699 54.5218 37.0427 175.9317 22 V 5.0043 7.1844 121.8643 60.2721 34.3999 174.4313 23 V 4.4334 7.7454 124.3397 61.2312 35.8440 173.3924 24 A 4.9633 8.7298 123.3642 50.2077 22.8626 175.5011 25 M 4.1788 8.7619 118.7326 55.3827 32.5183 177.3740 26 K 3.7763 9.1581 120.4688 59.3566 32.2556 178.1458 27 T 3.8250 8.0255 109.3709 62.8055 66.1613 173.5997 28 G 3.7881 8.7219 113.3152 47.4525 0.0000 173.3588 29 K 4.3103 7.7040 124.1603 55.0312 40.3500 175.4296 30 R 3.1621 7.6771 121.6775 53.3864 35.2214 174.8484 31 H 4.2116 9.1290 116.6593 56.7222 27.4573 173.4573 32 L 4.6793 6.9783 118.1940 54.8108 49.3466 179.1096 33 N 4.5693 5.7700 117.4865 53.1539 39.3233 176.4852 34 W 4.5906 8.7585 121.4145 57.9017 25.4414 174.8721 35 Q 4.0152 8.6836 117.8003 58.8252 29.9598 180.4655 36 K 4.4427 7.3797 111.6297 55.0806 36.4978 177.7968 37 S 5.4857 8.0755 117.5270 58.9457 63.1332 178.4420 38 G 3.9912 8.4317 109.1733 45.5140 0.0000 175.3856 39 K 4.2958 8.8494 118.5633 59.1202 35.5341 176.1532 40 E 4.1581 7.7045 118.4536 58.2314 29.8776 178.5667 41 I 3.5451 9.5623 118.4312 62.3715 37.5517 177.0048 42 R 4.0060 8.2078 121.5453 59.0076 29.8829 176.8739 43 Q 4.2834 7.6609 118.1894 54.5989 27.0855 175.3200 44 K 4.6646 7.9543 117.5340 55.3100 34.9072 178.7705 45 G 4.0540 7.8150 109.3315 45.8831 0.0000 171.9055 46 R 5.1591 8.2045 123.5385 54.6797 34.0685 174.2364 47 K 4.6572 8.5702 117.3104 56.7258 36.5020 174.7670 48 F 5.5672 8.5233 122.5017 57.1882 42.1704 173.9912 49 V 3.8715 8.8537 126.8925 61.0581 30.7059 175.2135 50 L 3.8543 7.8010 129.9337 55.3740 44.0390 177.7807 51 A 3.5381 6.9415 123.8366 53.8334 17.1759 180.7238 52 K 4.8420 8.0437 119.8130 61.0976 33.8984 175.4454 53 P 4.9819 0.0000 0.0000 62.0387 31.1919 176.5991 54 E 4.4931 8.6555 117.0018 58.3359 33.2078 178.5313 55 A 3.9837 8.3436 120.4696 55.4253 18.1701 179.0170 56 E 3.9112 8.5263 116.5067 60.7164 29.5595 179.4068 57 R 3.4445 7.9544 113.9391 59.3040 30.5148 177.5779 58 I 3.6901 8.1325 116.2751 64.3249 37.9756 177.9337 59 K 3.9566 8.3333 120.3437 59.3615 31.7432 178.9223 60 L 3.9398 8.4437 118.8067 58.1173 42.2144 177.3875 61 L 3.5498 7.2315 117.8470 54.1312 39.6866 174.7702 62 L 4.6883 7.9449 129.9836 53.9379 40.0433 172.8675 63 P 4.7457 0.0000 0.0000 62.2961 31.0730 174.1384 64 Y 4.5286 8.5361 114.7708 58.6110 37.7617 175.8947 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 8.29 4.43 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 2 P 0.00 4.13 0.00 2.25 2.08 0.00 3.79 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 3 K 9.93 3.71 0.00 1.70 1.49 0.00 1.61 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.52 7.81 4 M 10.05 3.39 0.00 2.29 2.54 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.55 0.00 5 K 6.97 5.24 0.00 1.81 1.89 0.00 0.70 0.00 0.00 1.93 0.00 0.00 2.74 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.44 1.49 7.81 6 T 8.39 4.13 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 1.26 0.00 0.00 7 H 7.15 4.00 0.00 3.27 3.32 0.00 5.70 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.55 4.18 0.00 1.86 1.78 0.00 1.64 0.00 0.00 1.88 0.00 0.00 3.16 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.60 7.81 9 G 7.97 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 10 A 8.15 4.35 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 11 K 8.59 4.21 0.00 1.77 1.92 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.67 1.98 7.81 12 K 8.37 4.11 0.00 1.85 1.93 0.00 1.92 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.42 7.81 13 R 9.21 3.14 0.00 1.92 1.92 0.00 3.44 0.00 0.00 3.16 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 14 V 8.31 3.16 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.01 0.00 0.00 15 K 8.54 4.62 0.00 1.70 1.58 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.69 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.28 1.43 7.81 16 I 8.40 5.36 1.88 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 1.11 0.85 0.95 0.00 0.00 17 T 8.32 4.01 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 1.19 0.00 0.00 18 A 8.64 4.37 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.42 4.43 0.00 4.02 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 20 G 8.94 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 0.00 0.00 0.00 0.00 21 K 8.02 5.03 0.00 1.80 1.87 0.00 1.96 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 2.05 1.63 7.81 22 V 7.18 5.00 1.71 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 0.74 0.00 0.00 0.86 0.00 0.00 23 V 7.75 4.43 1.91 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 0.94 0.00 0.00 0.82 0.00 0.00 24 A 8.73 4.96 1.24 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 0.00 0.00 0.00 25 M 8.76 4.18 0.00 1.92 2.07 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 2.62 2.56 0.00 26 K 9.16 3.78 0.00 1.82 1.86 0.00 1.78 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.63 7.81 27 T 8.03 3.83 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 1.26 0.00 0.00 28 G 8.72 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.70 4.31 0.00 1.11 0.82 0.00 1.55 0.00 0.00 1.13 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.27 1.11 7.81 30 R 7.68 3.16 0.00 1.76 2.07 0.00 3.38 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 31 H 9.13 4.21 0.00 3.25 3.36 0.00 5.96 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 6.98 4.68 0.00 1.04 1.23 1.11 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 33 N 5.77 4.57 0.00 1.85 1.64 0.00 0.00 7.23 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 W 8.76 4.59 0.00 3.35 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.68 4.02 0.00 2.09 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.24 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 36 K 7.38 4.44 0.00 2.14 1.25 0.00 2.05 0.00 0.00 1.54 0.00 0.00 2.78 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.99 1.56 7.81 37 S 8.08 5.49 0.00 4.11 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 38 G 8.43 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 39 K 8.85 4.30 0.00 1.91 2.21 0.00 1.56 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.32 1.36 7.81 40 E 7.70 4.16 0.00 1.98 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 0.00 2.57 2.06 0.00 41 I 9.56 3.55 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.96 0.87 0.00 0.00 42 R 8.21 4.01 0.00 1.67 2.00 0.00 3.23 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 43 Q 7.66 4.28 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 44 K 7.95 4.66 0.00 1.60 1.70 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.28 1.43 7.81 45 G 7.81 4.05 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 0.00 0.00 0.00 46 R 8.20 5.16 0.00 1.65 1.85 0.00 3.20 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 47 K 8.57 4.66 0.00 1.87 1.91 0.00 1.49 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.67 7.81 48 F 8.52 5.57 0.00 2.93 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 49 V 8.85 3.87 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.02 0.00 0.00 50 L 7.80 3.85 0.00 1.44 1.48 0.80 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 51 A 6.94 3.54 1.03 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 0.00 0.00 0.00 0.00 0.00 52 K 8.04 4.84 0.00 1.84 1.90 0.00 1.77 0.00 0.00 1.89 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.83 1.49 7.81 53 P 0.00 4.98 0.00 2.19 2.31 0.00 3.21 0.00 0.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 54 E 8.66 4.49 0.00 2.06 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 2.21 2.28 0.00 55 A 8.34 3.98 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 56 E 8.53 3.91 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 57 R 7.95 3.44 0.00 1.95 2.00 0.00 3.24 0.00 0.00 3.41 8.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 58 I 8.13 3.69 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.79 0.91 0.00 0.00 59 K 8.33 3.96 0.00 1.93 1.90 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.73 1.57 7.81 60 L 8.44 3.94 0.00 1.61 1.77 0.99 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.23 3.55 0.00 1.84 1.59 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.94 4.69 0.00 1.65 1.85 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.75 0.00 1.61 0.95 0.00 3.68 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 1.20 1.51 0.00 64 Y 8.54 4.53 0.00 2.96 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00