NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.7280 8.1700 119.7104 53.1561 41.1762 175.4372 2 H 3.7141 8.8511 117.4256 58.9110 29.4111 174.9766 3 Y 3.8293 8.2546 121.0111 60.7518 39.0379 176.9418 4 N 4.4562 8.7819 119.3908 56.2114 38.9675 175.7809 5 C 4.1624 8.5364 120.2938 59.8787 43.7322 175.8425 6 V 3.6527 8.0212 121.2734 65.3642 30.6769 178.0274 7 S 3.8882 8.0386 113.8981 60.9405 62.3290 175.4134 8 A 4.5187 7.4108 121.7380 51.5982 18.8200 177.6511 9 G 3.7270 8.1504 106.1832 45.4069 0.0000 173.9969 10 G 4.0317 8.1142 107.9501 45.0292 0.0000 173.0043 11 Q 4.7830 8.6813 117.9846 54.0644 32.3307 174.6651 12 C 4.9987 8.6408 119.9267 55.8710 38.4017 173.1230 13 L 4.9868 8.9495 123.9771 53.2718 45.0580 177.3264 14 Y 4.5199 8.9895 119.1454 58.6071 38.8138 175.1373 15 S 5.0035 7.5957 114.3365 56.2456 65.6421 173.4078 16 A 4.2194 8.3328 122.2683 52.5190 18.7798 178.2590 17 C 4.4883 8.3796 117.3337 55.8980 35.5223 172.3921 18 P 4.4771 0.0000 0.0000 61.9048 31.8326 175.4011 19 I 3.4807 7.8151 118.6436 62.4892 38.0919 175.4003 20 F 4.2426 8.5268 123.5583 58.1726 36.0279 174.4098 21 T 5.0142 7.6479 109.6383 59.9186 71.9539 173.0092 22 K 4.7518 8.2719 119.8709 54.9614 36.6909 175.3096 23 I 4.1362 8.2898 122.2291 62.0961 37.5434 177.0419 24 Q 4.3430 9.3562 126.2515 54.2573 30.5523 175.3016 25 G 3.7848 8.9225 111.2069 44.3468 0.0000 169.4706 26 T 5.0475 7.9021 106.6751 60.1048 72.0847 172.8553 27 C 4.6502 8.0757 118.1299 55.8965 43.8352 173.1046 28 Y 3.7487 8.5729 115.6504 60.2877 34.0650 170.5885 29 R 3.7288 8.8955 111.9759 57.3623 28.3230 178.3321 30 G 4.0154 8.4455 103.8885 45.6173 0.0000 175.2521 31 K 4.1942 8.0163 118.4736 57.7712 32.6649 176.4963 32 A 4.6291 8.0668 120.1499 49.7883 22.5164 175.4207 33 K 4.6640 8.7541 118.5919 55.2703 34.8824 175.3210 34 C 4.9352 8.7476 124.0288 55.7289 46.3777 171.5986 35 C 5.4808 9.1767 125.5053 55.1230 41.9212 174.2982 36 K 4.2102 8.5781 123.0809 57.2016 31.9349 176.0491 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 D 8.17 4.73 0.00 2.95 2.93 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 2 H 8.85 3.71 0.00 3.22 3.44 0.00 5.68 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.25 3.83 0.00 3.21 3.10 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 4 N 8.78 4.46 0.00 2.98 2.94 0.00 0.00 6.38 7.18 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 5 C 8.54 4.16 0.00 2.97 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 6 V 8.02 3.65 1.82 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 1.05 0.00 0.00 0.83 0.00 0.00 7 S 8.04 3.89 0.00 3.92 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.41 4.52 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 9 G 8.15 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.11 4.03 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 0.00 11 Q 8.68 4.78 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.80 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 12 C 8.64 5.00 0.00 2.68 2.27 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 13 L 8.95 4.99 0.00 1.46 1.51 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.99 4.52 0.00 3.01 2.99 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 15 S 7.60 5.00 0.00 3.97 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 16 A 8.33 4.22 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 17 C 8.38 4.49 0.00 2.96 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 18 P 0.00 4.48 0.00 2.21 2.19 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 19 I 7.82 3.48 1.60 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 -0.36 0.70 0.00 0.00 20 F 8.53 4.24 0.00 3.30 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 21 T 7.65 5.01 4.34 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 1.25 0.00 0.00 22 K 8.27 4.75 0.00 1.79 1.89 0.00 1.52 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.46 7.81 23 I 8.29 4.14 1.86 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 1.33 0.52 0.89 0.00 0.00 24 Q 9.36 4.34 0.00 1.80 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.41 0.00 0.00 0.00 0.00 0.00 2.28 2.54 0.00 25 G 8.92 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 0.00 0.00 0.00 26 T 7.90 5.05 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 1.18 0.00 0.00 27 C 8.08 4.65 0.00 1.93 2.07 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 28 Y 8.57 3.75 0.00 3.18 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.90 3.73 0.00 2.01 2.05 0.00 3.47 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 30 G 8.45 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 31 K 8.02 4.19 0.00 2.18 2.21 0.00 1.80 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.73 7.81 32 A 8.07 4.63 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.75 4.66 0.00 1.67 1.67 0.00 1.64 0.00 0.00 1.54 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.50 7.81 34 C 8.75 4.94 0.00 2.88 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 35 C 9.18 5.48 0.00 2.84 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 36 K 8.58 4.21 0.00 1.70 1.68 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.57 7.81