NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0591 8.0393 120.3075 61.6536 31.2035 173.3688 2 S 4.3815 7.7474 120.9681 56.3375 64.4570 171.2059 3 I 4.8930 8.7624 127.8980 60.4811 42.3997 174.0359 4 T 4.7735 8.7963 120.0227 61.8248 73.5085 173.9982 5 K 5.0340 8.3020 123.4373 55.6808 34.4107 174.5802 6 C 4.8743 8.5821 116.7684 58.3854 31.3174 173.6216 7 S 4.8471 8.2433 114.1805 57.9647 63.1442 172.9043 8 S 4.4400 8.4716 114.8233 57.9342 63.8815 172.8331 9 D 4.5949 8.5193 116.4788 55.4557 39.2789 173.1657 10 M 4.6919 7.8362 112.6680 54.7603 33.3147 176.0799 11 N 4.9077 8.0055 116.2216 52.4653 37.4223 174.4432 12 G 4.2933 7.9867 108.1296 45.2256 0.0000 169.9476 13 Y 4.5602 8.1111 118.7997 58.2699 40.7820 174.5661 14 C 4.0571 8.0149 114.1994 56.8962 30.7917 173.1177 15 L 4.0985 8.0297 125.0276 56.5719 42.0137 176.8158 16 H 4.6816 7.5692 117.3308 52.5425 29.0783 173.6975 17 G 4.6094 7.4796 108.9645 46.3700 0.0000 168.6567 18 Q 4.7748 7.8899 118.1156 54.4164 30.9482 174.9435 19 C 4.7717 8.5735 123.4038 59.3033 33.4758 172.4494 20 I 5.0885 8.7336 125.2441 60.7653 42.1755 172.9140 21 Y 5.0893 8.8241 123.1687 56.7775 42.3327 174.3598 22 L 4.4184 8.0109 127.4842 54.6059 42.3857 178.2315 23 V 4.1053 8.0067 122.7587 63.8477 32.0489 177.4147 24 D 4.4609 8.1796 119.3572 55.1655 40.7053 175.8120 25 M 4.6878 7.2982 118.8206 55.6544 31.9932 174.7692 26 S 4.0261 7.2686 114.6564 57.5165 62.5833 173.6952 27 Q 4.4624 7.7883 125.7457 55.5176 32.6487 172.8343 28 N 4.7434 8.5876 118.8406 53.4536 39.7061 173.5724 29 Y 4.3593 8.7432 128.5837 56.3352 40.4879 173.9606 30 C 5.3007 8.3975 125.1146 57.8919 30.2151 173.7957 31 R 4.2328 8.7839 126.1007 56.1610 30.6986 176.1815 32 C 4.9203 8.6023 124.2822 58.9209 30.2373 172.5670 33 E 4.1905 8.6800 121.7218 55.5490 30.2530 175.2536 34 V 3.6269 8.8516 127.3472 66.3940 31.1518 174.5367 35 G 3.8853 8.5801 124.1832 45.8682 0.0000 171.5495 36 Y 4.1988 7.5720 118.8385 57.9581 38.7286 174.8701 37 T 4.6280 7.8112 113.0558 61.2292 67.7115 173.7720 38 G 4.3620 7.7780 105.6641 44.2868 0.0000 173.6716 39 V 4.1119 8.1391 118.7776 61.1149 31.8101 177.5878 40 R 3.9679 8.1036 114.9372 58.4249 31.3448 175.1360 41 C 3.2143 7.9469 105.3120 58.9660 27.5119 171.6395 42 E 4.7039 7.9420 127.7666 57.0174 35.6295 174.7568 43 H 4.9911 8.5042 114.7584 53.3902 30.3274 172.3529 44 F 3.9309 8.7565 127.3941 56.9178 39.3098 174.7648 45 F 4.2386 8.1107 131.1929 60.6366 39.6921 174.9991 46 L 2.9449 5.6200 123.4922 54.2620 41.3155 176.4562 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 V 8.04 4.06 2.06 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 0.92 0.00 0.00 0.91 0.00 0.00 2 S 7.75 4.38 0.00 3.94 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 3 I 8.76 4.89 1.73 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.88 0.84 0.00 0.00 4 T 8.80 4.77 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 1.17 0.00 0.00 5 K 8.30 5.03 0.00 1.76 1.76 0.00 1.46 0.00 0.00 2.38 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.55 7.81 6 C 8.58 4.87 0.00 2.90 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.24 4.85 0.00 3.78 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 8.47 4.44 0.00 3.92 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 9 D 8.52 4.59 0.00 2.71 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.84 4.69 0.00 1.95 2.19 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.51 0.00 11 N 8.01 4.91 0.00 2.75 2.76 0.00 0.00 6.74 7.69 0.00 0.00 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 G 7.99 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 0.00 0.00 0.00 0.00 13 Y 8.11 4.56 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 14 C 8.01 4.06 0.00 3.01 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 15 L 8.03 4.10 0.00 1.50 1.47 0.91 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 16 H 7.57 4.68 0.00 2.53 3.27 0.00 5.92 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.48 4.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 7.89 4.77 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 7.04 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 19 C 8.57 4.77 0.00 3.06 2.85 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 20 I 8.73 5.09 2.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.36 0.94 0.00 0.00 21 Y 8.82 5.09 0.00 3.05 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 22 L 8.01 4.42 0.00 1.52 1.43 1.09 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.01 4.11 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 0.73 0.00 0.00 1.02 0.00 0.00 24 D 8.18 4.46 0.00 2.79 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 M 7.30 4.69 0.00 2.13 1.89 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 26 S 7.27 4.03 0.00 4.09 3.96 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.79 4.46 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.03 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 28 N 8.59 4.74 0.00 2.72 2.64 0.00 0.00 6.92 7.64 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 29 Y 8.74 4.36 0.00 3.07 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.40 5.30 0.00 3.13 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 31 R 8.78 4.23 0.00 2.23 1.94 0.00 3.21 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 32 C 8.60 4.92 0.00 2.89 2.75 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 0.00 0.00 0.00 33 E 8.68 4.19 0.00 2.19 2.11 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 2.53 2.37 0.00 34 V 8.85 3.63 2.15 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 0.89 0.00 0.00 0.99 0.00 0.00 35 G 8.58 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 36 Y 7.57 4.20 0.00 3.24 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 37 T 7.81 4.63 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 1.21 0.00 0.00 38 G 7.78 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.14 4.11 2.10 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 0.85 0.00 0.00 0.93 0.00 0.00 40 R 8.10 3.97 0.00 1.71 1.79 0.00 3.11 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.22 0.00 41 C 7.95 3.21 0.00 2.81 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 42 E 7.94 4.70 0.00 1.99 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 2.23 2.24 0.00 43 H 8.50 4.99 0.00 3.48 3.47 0.00 5.70 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 F 8.76 3.93 0.00 2.42 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 45 F 8.11 4.24 0.00 2.82 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 5.62 2.94 0.00 0.27 0.97 0.75 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00