NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4522 8.3049 118.1948 54.7016 32.8047 175.1274 2 K 4.1415 8.0156 119.3052 56.1249 32.8948 173.0257 3 V 3.8786 7.8898 113.1801 62.5865 34.9935 176.0580 4 R 3.0168 7.3853 111.5187 55.2353 32.4618 175.9736 5 A 4.1320 8.4119 124.2627 54.8039 18.8361 178.0571 6 S 4.5155 7.8371 109.1858 57.7689 64.1234 173.2337 7 V 4.1426 8.1202 116.1847 61.3753 33.0337 176.8435 8 K 3.8104 7.6910 120.1477 55.6945 31.3992 174.8967 9 K 4.5839 8.1827 118.1265 55.3011 33.9691 176.2722 10 L 4.4158 8.3702 119.1623 56.0110 43.8721 176.0279 11 C 4.7609 7.5364 112.1044 53.3148 43.7357 174.0510 12 R 3.9534 8.4013 114.7707 57.7808 29.0418 176.7759 13 N 4.7106 7.8493 114.9155 53.8385 39.7283 175.1355 14 C 4.3735 7.4636 116.1061 60.3368 28.6400 173.7637 15 K 4.3664 8.6215 120.8181 54.8701 34.0988 174.3748 16 I 3.3387 7.9720 122.4014 61.1496 36.7615 173.4161 17 V 4.2484 8.4192 123.9806 61.3168 34.4554 173.1195 18 K 4.7216 8.6799 129.0115 55.7014 32.4496 175.7783 19 R 4.7328 8.2818 124.9039 55.3573 33.9704 177.0769 20 D 4.2583 8.1428 120.5494 55.9576 40.6093 174.9066 21 G 4.0754 8.7325 115.7746 46.0178 0.0000 172.1281 22 V 4.4447 8.3146 120.4517 60.4944 34.3750 174.8532 23 I 4.2735 8.3719 128.6302 61.4773 38.3782 175.1904 24 R 4.9089 8.9196 124.4648 54.3651 35.3029 174.2361 25 V 4.5641 8.4157 118.6810 61.4160 34.5052 174.0250 26 I 4.7121 8.4326 128.5868 59.6696 39.6575 174.8062 27 C 5.2576 8.7513 127.5484 54.7671 44.9331 173.7366 28 S 4.1863 9.0116 119.5023 59.2838 63.4234 174.0850 29 A 4.4190 7.9856 122.7328 52.9121 20.7921 175.7691 30 E 4.4334 7.7730 117.6137 53.5868 31.2122 173.9766 31 P 4.2328 0.0000 0.0000 65.7338 31.5487 179.0804 32 K 3.9454 8.2509 115.2884 59.9792 31.9742 177.5772 33 H 4.5029 8.0448 114.3858 57.2425 28.7016 175.6525 34 K 4.6062 8.1047 122.0157 56.8077 32.9280 175.5409 35 Q 4.7613 8.5295 123.3386 54.9255 33.4692 173.4758 36 R 4.6382 8.2136 122.0910 57.2350 33.1549 176.3110 37 Q 3.0405 8.3822 107.8519 57.7048 26.7654 175.7521 38 G 3.7582 8.0837 114.3793 45.5193 0.0000 171.5565 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 8.30 4.45 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.57 0.00 2 K 8.02 4.14 0.00 1.85 1.77 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.49 7.81 3 V 7.89 3.88 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.93 0.00 0.00 4 R 7.39 3.02 0.00 1.99 2.32 0.00 3.03 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.93 0.00 5 A 8.41 4.13 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 6 S 7.84 4.52 0.00 3.98 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 7 V 8.12 4.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.93 0.00 0.00 8 K 7.69 3.81 0.00 1.89 1.80 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.43 7.81 9 K 8.18 4.58 0.00 1.69 1.70 0.00 1.56 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.49 7.81 10 L 8.37 4.42 0.00 1.04 1.48 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 11 C 7.54 4.76 0.00 3.12 3.30 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 12 R 8.40 3.95 0.00 1.94 2.10 0.00 3.02 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 13 N 7.85 4.71 0.00 2.74 2.91 0.00 0.00 6.98 7.66 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 14 C 7.46 4.37 0.00 3.03 2.87 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 15 K 8.62 4.37 0.00 1.82 1.81 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.51 7.81 16 I 7.97 3.34 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 1.29 0.63 0.91 0.00 0.00 17 V 8.42 4.25 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.93 0.00 0.00 18 K 8.68 4.72 0.00 1.75 1.71 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.45 7.81 19 R 8.28 4.73 0.00 1.89 1.77 0.00 3.32 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 20 D 8.14 4.26 0.00 2.73 2.03 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 21 G 8.73 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.31 4.44 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.93 0.00 0.00 23 I 8.37 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 1.34 0.49 0.91 0.00 0.00 24 R 8.92 4.91 0.00 1.90 1.79 0.00 3.06 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 25 V 8.42 4.56 2.18 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 1.01 0.00 0.00 0.96 0.00 0.00 26 I 8.43 4.71 1.88 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 1.23 0.92 0.92 0.00 0.00 27 C 8.75 5.26 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 28 S 9.01 4.19 0.00 4.02 3.97 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 29 A 7.99 4.42 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 30 E 7.77 4.43 0.00 1.92 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 31 P 0.00 4.23 0.00 2.19 2.09 0.00 3.65 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 32 K 8.25 3.95 0.00 1.64 1.90 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.78 7.81 33 H 8.04 4.50 0.00 3.28 3.33 0.00 5.70 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 34 K 8.10 4.61 0.00 1.91 1.71 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.45 7.81 35 Q 8.53 4.76 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.31 0.00 0.00 0.00 0.00 0.00 2.29 2.64 0.00 36 R 8.21 4.64 0.00 1.79 1.74 0.00 3.28 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 37 Q 8.38 3.04 0.00 2.13 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 38 G 8.08 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