NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.4491 8.3601 120.1899 53.9024 42.2854 175.1837 2 A 4.2151 8.3637 129.1522 51.4567 19.2876 173.9429 3 E 4.2140 8.0980 117.1320 55.8606 31.2106 174.2976 4 F 4.4067 7.7668 114.4079 59.0815 38.0301 174.7216 5 R 4.3981 6.3505 123.5270 55.4469 31.2674 175.8008 6 H 4.0670 9.2213 124.7029 57.9188 28.1027 174.3480 7 D 4.8640 7.4050 117.7286 52.5197 42.6732 174.8337 8 S 4.2155 8.5443 124.6580 57.9871 65.4166 173.5720 9 G 4.0907 8.6961 102.2122 47.1702 0.0000 173.4225 10 Y 4.4459 8.3171 120.9223 57.0568 37.5234 177.2461 11 E 3.8928 9.6799 114.2032 56.5395 27.4022 174.8109 12 V 3.8209 5.4584 118.2499 63.7354 32.6536 175.7420 13 H 4.7936 7.1512 116.2693 57.3526 33.3470 174.1788 14 H 4.0965 8.9152 118.0899 59.6202 29.2924 176.8857 15 Q 4.0427 8.0679 119.1380 59.0779 28.4747 178.4676 16 K 4.0745 7.9893 118.8568 59.4486 31.9267 179.2244 17 L 4.0962 7.7758 119.0272 58.3601 41.8087 178.3945 18 V 3.5840 8.5110 117.1860 65.9077 31.2333 178.4335 19 F 4.1131 8.6996 119.1559 61.2150 39.9378 177.7583 20 F 4.0193 8.0057 118.1584 61.0102 39.5516 176.2314 21 A 4.2288 8.5653 120.3025 55.5912 17.9945 179.3317 22 E 3.9701 8.2947 115.5010 59.4217 29.6443 178.3636 23 D 4.7360 7.7406 114.5963 54.8706 41.3678 176.8083 24 V 3.5743 7.8333 117.7200 60.3185 32.2894 175.7190 25 G 3.9959 8.4199 113.4034 44.7466 0.0000 175.0762 26 S 6.1394 6.8085 127.8988 59.6688 66.1008 175.9591 27 N 5.0238 7.5522 122.8190 53.3368 39.6916 175.4218 28 K 4.6973 8.7488 125.9499 55.7590 34.9970 175.1943 29 G 4.0082 8.6742 106.2182 45.4171 0.0000 173.3975 30 A 4.4265 8.1948 119.5812 52.1362 21.8455 178.7229 31 I 4.0364 8.1545 120.1543 62.4274 38.1155 177.9569 32 I 3.7946 7.7952 114.1424 64.1592 37.1687 178.2671 33 G 3.7990 7.3235 103.4987 47.6720 0.0000 174.7502 34 L 4.2191 8.0055 121.8777 57.0600 40.3280 178.7765 35 M 4.0073 7.9987 116.5273 58.1606 31.2245 177.2217 36 V 5.0182 7.1793 117.9968 62.0181 31.8779 176.7705 37 G 4.2219 8.0783 105.4569 42.6649 0.0000 174.0195 38 G 4.3049 7.4002 108.7029 44.8289 0.0000 174.4361 39 V 4.2201 7.6617 114.8793 60.8008 34.1931 176.7061 40 V 4.0367 7.3251 117.3457 61.4317 32.2057 175.1964 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 8.36 4.45 0.00 2.64 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.36 4.22 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.10 4.21 0.00 1.74 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.33 0.00 4 F 7.77 4.41 0.00 3.18 3.25 0.00 0.00 0.00 0.00 0.00 0.00 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 R 6.35 4.40 0.00 2.04 1.77 0.00 3.42 0.00 0.00 3.59 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.91 0.00 6 H 9.22 4.07 0.00 3.09 3.26 0.00 5.68 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 7.41 4.86 0.00 2.82 2.54 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 8 S 8.54 4.22 0.00 3.80 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 8.70 4.09 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 0.00 0.00 0.00 10 Y 8.32 4.45 0.00 3.00 2.58 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 0.00 11 E 9.68 3.89 0.00 2.07 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 2.12 2.27 0.00 12 V 5.46 3.82 1.04 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 0.56 0.00 0.00 0.75 0.00 0.00 13 H 7.15 4.79 0.00 3.47 3.48 0.00 5.95 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 H 8.92 4.10 0.00 3.60 3.44 0.00 5.73 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.07 4.04 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.66 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 16 K 7.99 4.07 0.00 1.82 1.86 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.64 7.81 17 L 7.78 4.10 0.00 1.83 1.71 0.81 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.51 3.58 2.31 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 1.04 0.00 0.00 1.02 0.00 0.00 19 F 8.70 4.11 0.00 3.43 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 20 F 8.01 4.02 0.00 3.38 3.23 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.57 4.23 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.29 3.97 0.00 2.29 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 0.00 2.35 2.53 0.00 23 D 7.74 4.74 0.00 2.83 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.83 3.57 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.73 0.00 0.00 25 G 8.42 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 6.81 6.14 0.00 3.95 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 27 N 7.55 5.02 0.00 2.69 2.50 0.00 0.00 7.13 7.61 0.00 0.00 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 K 8.75 4.70 0.00 1.79 1.76 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.44 7.81 29 G 8.67 4.01 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 0.00 0.00 0.00 30 A 8.19 4.43 1.07 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 0.00 0.00 31 I 8.15 4.04 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.72 0.90 0.00 0.00 32 I 7.80 3.79 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.85 0.93 0.00 0.00 33 G 7.32 3.80 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 0.00 0.00 0.00 34 L 8.01 4.22 0.00 1.92 1.64 0.91 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 35 M 8.00 4.01 0.00 2.19 2.36 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 2.67 2.72 0.00 36 V 7.18 5.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.96 0.00 0.00 37 G 8.08 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 0.00 0.00 0.00 0.00 38 G 7.40 4.30 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 0.00 39 V 7.66 4.22 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 0.86 0.00 0.00 0.93 0.00 0.00 40 V 7.33 4.04 2.09 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 0.85 0.00 0.00 0.97 0.00 0.00