NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3165 8.1631 117.3743 63.0454 69.9152 173.5471 2 G 3.5107 8.5069 115.2308 45.1251 0.0000 171.9832 3 A 4.4013 8.0788 123.6808 52.4845 21.3962 176.5146 4 G 4.3949 7.3605 109.9976 44.6609 0.0000 175.7433 5 T 3.8703 9.1463 121.9982 65.9063 67.9284 174.0606 6 P 4.2728 0.0000 0.0000 65.7361 31.6811 177.6062 7 S 4.4880 8.1233 113.1829 59.0091 63.1928 175.5702 8 Q 4.2749 8.0741 121.1213 57.6498 28.9617 178.3611 9 G 3.6811 7.4921 105.9789 47.8628 0.0000 174.4431 10 K 4.2888 7.8796 117.0647 56.9016 32.6155 178.1091 11 K 4.3739 7.5504 120.3250 55.3964 30.0185 176.0503 12 N 5.0336 7.9203 114.2496 52.3584 38.5391 175.2864 13 T 4.3270 7.8645 114.7450 63.4517 69.6580 174.1037 14 T 4.4925 8.3103 122.0608 62.3036 69.4956 172.7190 15 T 4.2859 7.5280 114.7295 63.0700 71.2147 172.8397 16 H 4.7883 8.0211 119.5055 55.0394 30.0538 174.5939 17 T 4.8300 9.3488 112.9281 59.0735 73.0209 172.9836 18 K 4.2447 8.8184 122.8999 57.5514 32.7053 175.2989 19 C 4.2731 9.1702 128.8258 58.5608 32.2015 174.2027 20 R 3.6982 8.5344 126.6412 59.4375 29.8956 177.5448 21 R 3.6726 7.2152 116.6990 58.6182 30.1975 176.6890 22 C 4.2797 7.8772 109.7088 57.8120 30.5947 174.6319 23 G 3.9319 8.1011 108.6170 45.1717 0.0000 173.4149 24 E 4.2507 7.6755 119.2806 55.1235 31.0623 176.6322 25 K 4.3913 8.2098 125.0079 55.8711 29.7670 176.5364 26 S 4.7652 7.7822 113.4251 58.1028 67.0603 174.2620 27 Y 4.6994 8.9471 123.8652 56.8723 39.1674 174.2215 28 H 4.2427 8.6799 128.5899 56.1575 29.9762 175.6241 29 T 3.6434 9.0242 122.2310 63.9942 66.9492 174.9657 30 K 4.3041 8.1169 119.0033 58.2489 33.1467 177.6171 31 K 4.0711 7.9632 116.1611 56.1243 32.2907 176.6269 32 K 3.3653 8.4963 118.0350 56.0716 30.2651 174.9699 33 V 4.6009 6.8406 116.1568 61.0427 34.6136 173.3376 34 C 5.0543 9.4416 128.0240 58.6966 32.1096 174.4359 35 S 4.3726 9.1329 122.3283 60.3076 63.3130 175.3260 36 S 4.4568 8.2505 115.3564 60.3509 62.7971 174.3747 37 C 4.3837 8.1453 112.8318 57.7156 30.4609 174.9679 38 G 4.0218 8.2659 109.5898 45.2253 0.0000 173.1732 39 F 4.5384 8.0852 122.5657 59.9143 39.6961 175.4796 40 G 3.9123 8.7417 115.3481 45.9223 0.0000 173.6771 41 K 4.3338 7.8486 118.2383 56.9560 34.0037 175.9825 42 S 4.6891 8.3257 111.4511 55.9922 65.1731 173.5680 43 A 4.1892 8.7443 130.0060 55.0776 18.4892 178.5066 44 K 4.2683 7.4626 113.9470 55.9740 32.8260 176.9675 45 R 4.3025 8.2305 120.8064 55.8150 30.7802 176.5270 46 R 3.7912 8.9264 125.6009 56.8165 30.6156 175.4838 47 D 4.3428 7.4969 123.2395 53.7851 43.7064 174.0699 48 Y 4.5345 8.2530 123.0370 55.7801 40.7625 176.6755 49 E 4.0300 8.4274 121.0126 58.8090 29.8601 178.7211 50 W 4.6149 7.5788 113.2000 57.4126 28.2433 176.4547 51 Q 4.4773 7.4008 116.6767 56.5769 28.2009 175.4684 52 S 4.6817 7.5506 110.8744 56.5643 66.0827 174.4014 53 K 3.9806 8.6223 120.4888 56.5949 32.4832 177.7666 54 A 4.0176 8.9765 126.0796 55.3673 18.3850 179.1330 55 G 4.0641 7.6589 102.9785 44.9030 0.0000 173.2512 56 E 4.3723 7.8628 125.3448 56.6024 30.2949 174.6994 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 T 8.16 4.32 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 1.21 0.00 0.00 2 G 8.51 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.08 4.40 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 4 G 7.36 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.15 3.87 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 1.21 0.00 0.00 6 P 0.00 4.27 0.00 2.21 2.31 0.00 3.60 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 2.19 1.99 0.00 7 S 8.12 4.49 0.00 4.23 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.07 4.27 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.80 0.00 0.00 0.00 0.00 0.00 2.65 2.44 0.00 9 G 7.49 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 K 7.88 4.29 0.00 1.76 1.86 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.45 7.81 11 K 7.55 4.37 0.00 1.90 1.78 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.47 1.44 7.81 12 N 7.92 5.03 0.00 2.77 2.83 0.00 0.00 6.35 7.71 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 13 T 7.86 4.33 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 14 T 8.31 4.49 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 1.21 0.00 0.00 15 T 7.53 4.29 3.58 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 1.12 0.00 0.00 16 H 8.02 4.79 0.00 3.09 3.49 0.00 5.64 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 17 T 9.35 4.83 4.33 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 1.32 0.00 0.00 18 K 8.82 4.24 0.00 1.79 1.81 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.52 7.81 19 C 9.17 4.27 0.00 3.20 2.90 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 20 R 8.53 3.70 0.00 1.58 1.55 0.00 3.20 0.00 0.00 3.12 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 21 R 7.22 3.67 0.00 0.67 1.41 0.00 3.25 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.29 0.00 22 C 7.88 4.28 0.00 3.10 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 23 G 8.10 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 24 E 7.68 4.25 0.00 1.96 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 0.00 2.40 2.27 0.00 25 K 8.21 4.39 0.00 1.80 1.78 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.52 7.81 26 S 7.78 4.77 0.00 3.87 3.85 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 27 Y 8.95 4.70 0.00 3.13 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 28 H 8.68 4.24 0.00 3.17 3.05 0.00 5.84 0.00 0.00 0.00 0.00 6.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 9.02 3.64 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 1.19 0.00 0.00 30 K 8.12 4.30 0.00 1.87 1.84 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.42 7.81 31 K 7.96 4.07 0.00 1.54 1.71 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.39 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.21 0.97 7.81 32 K 8.50 3.37 0.00 1.79 1.87 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.46 7.81 33 V 6.84 4.60 1.98 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 1.01 0.00 0.00 0.93 0.00 0.00 34 C 9.44 5.05 0.00 3.42 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 9.13 4.37 0.00 4.07 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 36 S 8.25 4.46 0.00 3.91 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 37 C 8.15 4.38 0.00 3.17 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 38 G 8.27 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 39 F 8.09 4.54 0.00 3.09 3.14 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 0.00 0.00 0.00 0.00 40 G 8.74 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 41 K 7.85 4.33 0.00 1.69 1.99 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.39 7.81 42 S 8.33 4.69 0.00 3.79 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 43 A 8.74 4.19 1.31 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 0.00 0.00 44 K 7.46 4.27 0.00 1.68 1.71 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.40 7.81 45 R 8.23 4.30 0.00 1.64 1.82 0.00 3.36 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 46 R 8.93 3.79 0.00 1.84 1.99 0.00 3.45 0.00 0.00 3.43 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 47 D 7.50 4.34 0.00 2.50 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.25 4.53 0.00 1.43 1.66 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.43 4.03 0.00 2.04 2.02 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 2.38 2.25 0.00 50 W 7.58 4.61 0.00 3.47 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 51 Q 7.40 4.48 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.68 0.00 0.00 0.00 0.00 0.00 2.00 1.62 0.00 52 S 7.55 4.68 0.00 3.97 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 53 K 8.62 3.98 0.00 1.83 1.81 0.00 1.73 0.00 0.00 1.86 0.00 0.00 2.94 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.56 1.42 7.81 54 A 8.98 4.02 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 55 G 7.66 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 7.86 4.37 0.00 1.84 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 2.16 2.18 0.00