NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6677 8.1700 119.7073 53.0679 41.1298 175.7748 2 H 3.6926 8.7714 117.8715 58.7318 29.4212 174.7279 3 Y 3.9289 8.9106 122.0833 61.0870 39.0757 177.4750 4 N 4.4295 8.8822 118.7860 55.6550 38.5517 176.5893 5 C 4.1059 8.3883 120.2947 59.7296 37.9299 175.8810 6 V 3.5889 7.9107 120.2564 66.0079 30.6302 178.1945 7 S 4.0378 8.0754 114.4496 60.7476 62.3832 175.4771 8 S 4.6859 7.6870 115.8054 57.9088 63.0695 174.7372 9 G 3.7922 7.9625 109.2678 45.6031 0.0000 173.6107 10 G 4.2369 7.9811 107.7780 44.3725 0.0000 173.1226 11 Q 4.7394 8.7038 116.3407 54.4604 32.4162 173.7382 12 C 4.9367 8.7098 118.4815 56.1845 39.2908 173.1007 13 L 5.0137 8.7825 123.6230 53.2535 45.0992 177.6952 14 Y 4.2153 9.1512 120.0808 59.8790 40.0077 176.6521 15 S 4.3165 8.6638 109.3298 58.1598 62.6080 175.3955 16 A 4.5178 9.0471 115.7998 50.9609 20.4712 179.0273 17 C 4.5294 8.5182 119.8835 55.6636 38.9388 172.3224 18 P 4.4817 0.0000 0.0000 61.8977 31.7881 175.3441 19 I 3.3711 7.9605 118.7576 63.0623 37.9139 175.5748 20 F 4.1213 8.3882 123.8161 58.0593 35.9924 173.9888 21 T 4.9955 7.7313 110.2370 59.8084 72.0763 172.7219 22 K 4.7253 8.1946 119.2879 54.9326 36.7607 175.3658 23 I 4.1870 8.3165 121.9623 61.8441 37.3459 176.7538 24 Q 4.2897 9.3935 127.0706 52.4619 29.1531 175.1444 25 G 3.7629 9.0539 108.4405 44.1549 0.0000 169.5614 26 T 4.9849 7.9625 107.0159 60.4528 72.2643 172.8679 27 C 4.6383 8.3218 117.5994 56.5919 44.5367 173.0471 28 Y 3.8384 8.6011 115.7286 59.7161 33.7463 170.1357 29 R 3.8025 8.7280 110.0033 57.4959 28.1161 178.3315 30 G 3.8716 8.4906 103.4328 45.8211 0.0000 175.0625 31 A 4.1984 7.9363 122.0956 53.3526 19.0821 177.3179 32 A 4.6555 7.8233 116.9693 49.8774 22.8603 175.2594 33 K 4.5602 8.7348 118.7076 55.1679 34.8118 175.2666 34 C 4.8238 8.6265 124.2348 55.9513 46.2537 171.4808 35 C 5.3865 9.5348 125.1221 55.2956 41.9713 174.3020 36 K 4.2516 8.6522 122.9137 56.5201 32.2694 176.3198 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 4.67 0.00 2.87 2.91 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 2 H 8.77 3.69 0.00 3.16 3.43 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 8.91 3.93 0.00 3.16 2.95 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 4 N 8.88 4.43 0.00 2.90 2.87 0.00 0.00 6.20 8.51 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 5 C 8.39 4.11 0.00 2.96 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 7.91 3.59 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 0.88 0.00 0.00 0.79 0.00 0.00 7 S 8.08 4.04 0.00 3.85 3.56 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 8 S 7.69 4.69 0.00 4.03 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 9 G 7.96 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 10 G 7.98 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 0.00 0.00 0.00 0.00 11 Q 8.70 4.74 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.84 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 12 C 8.71 4.94 0.00 2.80 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 8.78 5.01 0.00 1.54 1.55 1.01 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 9.15 4.22 0.00 2.97 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 15 S 8.66 4.32 0.00 3.86 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 9.05 4.52 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 17 C 8.52 4.53 0.00 2.96 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 18 P 0.00 4.48 0.00 2.22 2.18 0.00 3.73 0.00 0.00 3.70 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 7.96 3.37 1.60 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.15 0.78 0.00 0.00 20 F 8.39 4.12 0.00 3.32 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 21 T 7.73 5.00 4.17 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 1.25 0.00 0.00 22 K 8.19 4.73 0.00 1.78 1.88 0.00 1.51 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.45 7.81 23 I 8.32 4.19 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.52 0.88 0.00 0.00 24 Q 9.39 4.29 0.00 1.79 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.30 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 25 G 9.05 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 4.98 4.27 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 1.17 0.00 0.00 27 C 8.32 4.64 0.00 1.97 1.80 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 0.00 0.00 0.00 0.00 28 Y 8.60 3.84 0.00 3.05 2.92 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 29 R 8.73 3.80 0.00 2.02 2.05 0.00 3.48 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 30 G 8.49 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 7.94 4.20 1.51 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 32 A 7.82 4.66 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 8.73 4.56 0.00 1.63 1.67 0.00 1.80 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.49 7.81 34 C 8.63 4.82 0.00 2.90 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 35 C 9.53 5.39 0.00 2.85 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 8.65 4.25 0.00 1.74 1.62 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.33 7.81