NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.3363 8.1849 120.6309 55.0507 42.4232 175.8156 8 T 4.4367 8.4047 120.4635 61.3269 70.7700 170.8191 9 E 4.8181 9.0258 124.1615 55.1119 32.6833 174.9012 10 Y 4.7704 8.2431 118.3235 56.7853 42.1773 174.5065 11 T 4.7010 8.2269 111.4363 60.3002 71.2901 173.7844 12 L 4.4277 8.0888 122.5386 54.1189 45.0536 173.9942 13 Q 4.6717 8.5749 126.5151 54.2934 31.0766 174.1664 14 A 4.6931 8.1087 125.9086 50.7472 22.3294 175.5850 15 N 4.7540 8.5648 117.4292 52.0112 38.7581 176.1045 16 W 4.0979 8.9336 129.3244 60.6936 30.8293 177.6407 17 F 4.3015 8.9242 114.8466 58.8542 38.7020 175.9658 18 D 4.8002 8.0653 120.4146 54.3104 41.2089 178.3014 19 I 3.6755 7.3124 121.7130 64.5070 37.0825 178.2757 20 T 3.8893 7.6395 110.3545 64.6051 68.5216 176.4677 21 G 3.6407 8.0074 108.0711 47.6595 0.0000 175.5625 22 I 3.7315 7.6058 121.9700 64.0305 37.1290 177.9127 23 L 3.9190 8.0901 121.5098 58.1682 41.3764 178.7868 24 W 4.0834 8.4206 127.8370 60.7421 29.4675 177.9634 25 L 3.9451 8.5008 118.8705 57.5604 40.9347 179.4459 26 L 4.2260 8.4176 121.1282 58.0690 42.0200 179.2856 27 G 3.4905 8.2457 105.7504 47.6555 0.0000 175.4636 28 Q 4.0077 7.3889 118.4225 57.4197 28.6307 177.2704 29 V 4.2485 6.5255 112.3438 60.6448 32.2541 175.1135 30 D 4.2835 7.6131 117.0376 55.6747 38.3042 173.5976 31 G 4.1345 7.7321 108.1080 44.2036 0.0000 173.1935 32 K 4.3372 7.7935 114.8219 55.8208 34.5272 175.1549 33 I 4.0183 8.2849 122.6858 61.0889 37.3293 176.1867 34 I 3.8941 8.5469 127.4020 63.8888 37.2155 175.4907 35 N 4.9116 7.6011 113.7502 52.2013 39.7792 172.7612 36 S 4.7161 8.0265 111.4852 57.3608 66.0115 172.6951 37 D 4.5228 8.2380 117.6765 53.4340 43.7304 174.5926 38 V 4.4758 8.2536 125.3906 61.3582 33.4514 174.7876 39 Q 4.4090 8.3298 123.4126 54.5198 32.6970 173.6187 40 A 4.6917 7.9552 123.2709 50.4903 21.1370 176.2350 41 F 4.9134 8.3286 118.4761 55.6513 43.0798 174.4801 42 V 4.1949 8.4560 121.9325 61.3854 32.1840 175.1910 43 L 4.4659 8.5490 127.8887 53.6120 42.0935 175.8262 44 L 4.6148 8.4430 124.0659 52.8099 43.4606 175.8537 45 R 4.4790 8.5394 123.6963 54.7883 30.9092 175.5374 46 V 4.5071 8.2709 117.7861 59.3788 34.7673 174.9140 47 A 4.6705 8.1840 123.9827 50.3520 21.5388 175.4528 48 L 4.4413 7.9717 121.2165 53.6865 43.5724 173.2332 49 P 4.3009 0.0000 0.0000 62.0601 31.7743 177.3864 50 A 4.0528 8.9956 125.2863 55.6881 17.9015 179.3580 51 A 4.0299 8.0394 117.1378 54.2529 18.8087 178.6735 52 K 4.3792 8.4040 115.9837 56.4916 33.1132 178.3757 53 V 3.6894 7.4239 119.5103 66.2293 31.2209 177.7915 54 A 3.9543 7.9478 119.4553 55.2292 18.4401 178.7958 55 E 3.8761 8.2857 117.3802 59.5363 29.5129 178.6989 56 F 4.2520 8.8151 120.7156 61.5944 39.6863 176.9792 57 S 3.8256 8.5523 114.9501 61.6733 62.6600 176.7118 58 A 3.9463 8.1809 123.1376 55.3866 18.2355 179.9749 59 K 3.9859 8.0200 116.6225 59.2071 31.7653 179.4473 60 L 3.9727 7.9681 120.9368 58.1826 41.9116 178.9872 61 A 4.1696 7.8602 120.1446 55.0474 18.0715 179.1657 62 D 4.4234 7.9286 116.4656 56.3433 41.0682 177.5585 63 F 4.8079 7.9571 119.3179 58.1306 40.0180 175.9308 64 S 4.1790 7.2926 109.6472 57.8472 64.8108 174.2368 65 G 3.8546 8.7466 108.1960 47.0583 0.0000 175.1091 66 G 3.8640 8.3612 106.8100 45.6435 0.0000 175.0856 67 S 4.4340 7.6902 112.8947 57.7442 63.2352 173.9546 68 L 4.5298 7.5855 122.0251 53.6986 43.2006 175.0337 69 Q 4.5841 8.3763 124.7962 53.5658 31.1944 175.4947 70 L 4.2166 8.4319 124.9536 54.5729 42.8810 175.6719 71 L 4.6673 8.2676 125.1131 52.6289 44.0821 176.3442 72 A 4.2551 8.4286 125.7991 51.8595 19.3532 176.5447 73 I 4.3200 8.0295 122.0419 60.1372 38.3152 176.8152 74 E 4.1844 8.7143 120.6114 56.0637 29.5873 173.6472 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 7 L 8.18 4.34 0.00 1.64 1.73 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 8 T 8.40 4.44 4.45 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 1.00 0.00 0.00 9 E 9.03 4.82 0.00 1.85 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 0.00 2.23 2.27 0.00 10 Y 8.24 4.77 0.00 2.84 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.23 4.70 4.28 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 1.24 0.00 0.00 12 L 8.09 4.43 0.00 1.60 1.57 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.57 4.67 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.50 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 14 A 8.11 4.69 1.23 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 0.00 0.00 15 N 8.56 4.75 0.00 3.12 3.07 0.00 0.00 5.65 8.88 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 16 W 8.93 4.10 0.00 3.27 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 17 F 8.92 4.30 0.00 3.31 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 18 D 8.07 4.80 0.00 2.88 2.69 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 0.00 0.00 0.00 0.00 19 I 7.31 3.68 1.51 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 1.71 0.83 0.82 0.00 0.00 20 T 7.64 3.89 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 0.99 0.00 0.00 21 G 8.01 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 0.00 0.00 0.00 22 I 7.61 3.73 2.05 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.64 0.92 0.00 0.00 23 L 8.09 3.92 0.00 1.79 1.92 0.92 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 24 W 8.42 4.08 0.00 3.53 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.50 3.95 0.00 1.94 1.75 1.01 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.42 4.23 0.00 1.88 1.84 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.25 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.39 4.01 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.25 0.00 0.00 0.00 0.00 0.00 1.80 1.63 0.00 29 V 6.53 4.25 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 0.64 0.00 0.00 0.94 0.00 0.00 30 D 7.61 4.28 0.00 2.78 2.73 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 31 G 7.73 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.79 4.34 0.00 2.08 1.73 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.26 0.98 7.81 33 I 8.28 4.02 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 1.41 0.55 0.97 0.00 0.00 34 I 8.55 3.89 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.75 0.92 0.00 0.00 35 N 7.60 4.91 0.00 2.77 2.78 0.00 0.00 5.77 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 36 S 8.03 4.72 0.00 3.97 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.24 4.52 0.00 2.61 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.25 4.48 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 0.89 0.00 0.00 0.98 0.00 0.00 39 Q 8.33 4.41 0.00 1.95 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.52 0.00 0.00 0.00 0.00 0.00 2.14 2.31 0.00 40 A 7.96 4.69 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.33 4.91 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 42 V 8.46 4.19 2.17 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 0.87 0.00 0.00 0.99 0.00 0.00 43 L 8.55 4.47 0.00 1.71 1.64 0.97 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.44 4.61 0.00 1.65 1.63 0.96 1.00 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 45 R 8.54 4.48 0.00 1.77 1.85 0.00 3.19 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 46 V 8.27 4.51 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 0.85 0.00 0.00 1.01 0.00 0.00 47 A 8.18 4.67 1.17 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 0.00 0.00 48 L 7.97 4.44 0.00 1.54 1.40 0.69 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.30 0.00 2.18 2.00 0.00 3.55 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 2.06 2.04 0.00 50 A 9.00 4.05 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.04 4.03 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.40 4.38 0.00 1.78 1.85 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.53 7.81 53 V 7.42 3.69 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 1.12 0.00 0.00 1.02 0.00 0.00 54 A 7.95 3.95 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.29 3.88 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 56 F 8.82 4.25 0.00 3.00 3.27 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 57 S 8.55 3.83 0.00 4.05 3.88 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 58 A 8.18 3.95 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.02 3.99 0.00 1.83 1.87 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.64 7.81 60 L 7.97 3.97 0.00 1.39 1.57 0.78 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 61 A 7.86 4.17 1.36 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 62 D 7.93 4.42 0.00 2.86 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 63 F 7.96 4.81 0.00 2.98 3.24 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 64 S 7.29 4.18 0.00 3.85 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 65 G 8.75 3.85 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 0.00 0.00 0.00 66 G 8.36 3.86 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 0.00 0.00 0.00 67 S 7.69 4.43 0.00 4.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 7.59 4.53 0.00 1.51 1.59 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 8.38 4.58 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.22 0.00 70 L 8.43 4.22 0.00 1.53 1.57 1.10 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.27 4.67 0.00 1.65 1.54 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.43 4.26 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 73 I 8.03 4.32 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.73 0.92 0.00 0.00 74 E 8.71 4.18 0.00 1.99 1.72 0.00 0.00 0.00 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 1.87 0.00