NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2663 8.2493 123.5819 51.5633 20.3420 176.5843 2 V 3.8242 7.5523 117.2781 59.7419 32.5931 172.5925 3 Q 4.7989 8.2700 117.6892 54.7329 32.1319 173.8610 4 Q 4.3491 8.3853 116.8484 56.1166 31.5285 172.7840 5 N 3.9507 7.7466 114.0862 51.9611 37.0254 173.8067 6 K 4.5196 8.4030 122.7958 53.9017 35.0365 175.0286 7 P 4.5206 0.0000 0.0000 61.0625 30.0877 175.6051 8 T 3.9186 8.4774 117.0508 65.1409 67.4996 174.7100 9 R 3.9822 7.8917 118.3321 56.6363 30.3306 179.0572 10 S 3.2889 8.1654 109.3413 59.8241 64.3426 172.2436 11 K 4.1199 7.7396 122.9687 57.6469 33.3685 176.8918 12 R 4.3343 8.9595 126.6584 57.6182 29.4688 178.4515 13 G 3.7176 7.6067 101.3979 47.0861 0.0000 174.7498 14 M 4.2869 7.8956 120.5000 57.7821 32.5194 178.2709 15 R 3.9598 7.7828 118.2467 59.0855 30.2284 178.1756 16 R 4.7807 8.1628 119.9971 58.4761 30.0416 178.3840 17 S 4.1827 7.8983 115.4283 62.0432 62.6653 175.7645 18 H 4.5365 7.7958 114.3971 56.3336 28.2314 175.6910 19 D 4.7896 8.2113 119.6804 53.9255 42.2611 176.4838 20 A 4.3108 7.3192 121.0411 52.1822 18.8496 177.1221 21 L 4.5148 8.0626 120.2554 53.7003 43.6261 175.7034 22 T 4.6604 8.0752 108.1257 60.0373 71.7000 172.6575 23 A 4.6773 8.2741 124.1196 50.5236 21.0630 177.2733 24 V 4.1008 7.8182 115.2165 60.9421 33.7380 175.4482 25 T 4.0075 7.8830 104.8707 61.9257 69.6017 171.9519 26 S 4.5082 8.3558 119.9571 56.7889 65.6989 172.4294 27 L 4.4671 8.1277 122.5112 53.8988 43.0351 176.3382 28 S 5.0507 8.7036 111.5366 57.0617 64.5695 175.5239 29 V 3.5878 7.6751 115.4856 61.0174 30.8796 170.8956 30 D 4.4354 8.4842 119.7871 56.8935 38.7419 178.2859 31 K 3.9973 7.5295 119.2898 58.8121 32.7559 177.5580 32 T 4.0916 7.5445 117.0108 63.7156 68.4958 175.0514 33 S 4.6970 8.6974 123.1293 58.2232 63.8698 174.7250 34 G 4.2419 8.4708 111.3073 45.2957 0.0000 175.9744 35 E 3.2422 9.4782 114.3598 57.8029 29.9091 178.8449 36 K 4.4265 9.6452 119.8317 55.8192 34.1351 176.1489 37 H 3.7027 8.1629 114.9984 57.1527 27.5254 175.0216 38 L 4.5266 8.3986 128.1694 55.5481 43.5456 175.6342 39 R 3.5689 7.8777 123.8222 57.1311 29.2628 174.5697 40 H 4.9729 7.7558 114.4634 54.3194 32.5330 174.1990 41 H 4.0199 8.0177 120.6708 56.8455 30.2972 174.6783 42 I 4.2844 6.3245 116.4623 60.9336 40.0534 173.9775 43 T 4.1043 9.1876 121.3051 64.0316 67.9970 176.9545 44 A 4.1076 8.0558 123.6729 54.8913 18.3341 177.6545 45 D 4.7872 8.0443 111.8028 52.6266 43.6236 174.9830 46 G 4.6122 7.8818 106.4477 45.9278 0.0000 173.0471 47 Y 4.8552 7.0088 114.2904 55.6762 41.5600 175.3444 48 Y 3.5702 8.5760 122.9249 59.2005 39.5513 175.7234 49 R 4.8342 7.6981 114.8278 56.9106 36.1051 174.8571 50 G 3.9203 7.8100 106.2183 45.6649 0.0000 174.0186 51 R 4.0215 8.7885 121.5213 56.5923 29.1353 175.0339 52 K 4.5415 8.0936 122.1234 55.8021 36.2512 176.1110 53 V 3.0774 8.1982 126.3058 64.1513 31.4107 174.5059 54 I 4.5071 8.3923 109.2759 58.7013 39.1299 174.4817 55 A 4.3071 7.9669 127.8398 51.4634 21.1154 175.8349 56 K 4.1209 8.4501 114.2884 57.1446 32.1340 176.9533 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 A 8.25 4.27 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 2 V 7.55 3.82 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 0.74 0.00 0.00 0.93 0.00 0.00 3 Q 8.27 4.80 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.72 0.00 0.00 0.00 0.00 0.00 2.20 2.24 0.00 4 Q 8.39 4.35 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.66 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 5 N 7.75 3.95 0.00 2.89 2.79 0.00 0.00 5.69 7.13 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 6 K 8.40 4.52 0.00 1.71 1.72 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.25 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.48 1.36 7.81 7 P 0.00 4.52 0.00 2.04 2.02 0.00 3.71 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 8 T 8.48 3.92 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 1.21 0.00 0.00 9 R 7.89 3.98 0.00 1.88 1.89 0.00 3.47 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.57 0.00 10 S 8.17 3.29 0.00 3.92 3.72 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 0.00 0.00 0.00 11 K 7.74 4.12 0.00 1.74 1.92 0.00 1.83 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.44 7.81 12 R 8.96 4.33 0.00 2.03 2.02 0.00 3.40 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 13 G 7.61 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 14 M 7.90 4.29 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.59 0.00 15 R 7.78 3.96 0.00 1.87 1.92 0.00 3.18 0.00 0.00 3.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 16 R 8.16 4.78 0.00 1.98 2.10 0.00 3.38 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 17 S 7.90 4.18 0.00 4.07 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 7.80 4.54 0.00 3.05 3.35 0.00 5.80 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.21 4.79 0.00 2.81 2.66 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 0.00 0.00 0.00 0.00 20 A 7.32 4.31 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 21 L 8.06 4.51 0.00 1.64 1.64 0.92 0.79 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 22 T 8.08 4.66 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 1.21 0.00 0.00 23 A 8.27 4.68 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 24 V 7.82 4.10 2.07 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 0.76 0.00 0.00 0.91 0.00 0.00 25 T 7.88 4.01 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 1.20 0.00 0.00 26 S 8.36 4.51 0.00 3.79 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 27 L 8.13 4.47 0.00 1.63 1.66 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.70 5.05 0.00 4.13 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 V 7.68 3.59 1.87 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 0.31 0.00 0.00 0.32 0.00 0.00 30 D 8.48 4.44 0.00 2.77 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 31 K 7.53 4.00 0.00 1.90 2.07 0.00 1.85 0.00 0.00 2.20 0.00 0.00 3.11 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.65 1.50 7.81 32 T 7.54 4.09 4.16 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 0.00 0.00 0.00 1.29 0.00 0.00 33 S 8.70 4.70 0.00 3.85 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 34 G 8.47 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 35 E 9.48 3.24 0.00 2.04 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.48 0.00 36 K 9.65 4.43 0.00 2.06 1.96 0.00 1.67 0.00 0.00 2.35 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.32 1.56 7.81 37 H 8.16 3.70 0.00 3.29 3.05 0.00 5.86 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.40 4.53 0.00 1.69 1.52 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.88 3.57 0.00 1.75 1.93 0.00 3.30 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 40 H 7.76 4.97 0.00 3.25 3.40 0.00 5.82 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 41 H 8.02 4.02 0.00 3.04 2.93 0.00 5.98 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 6.32 4.28 1.63 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.17 0.12 0.00 0.00 43 T 9.19 4.10 4.16 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 0.00 0.00 0.00 1.29 0.00 0.00 44 A 8.06 4.11 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 45 D 8.04 4.79 0.00 3.19 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 46 G 7.88 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 47 Y 7.01 4.86 0.00 3.24 2.89 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 48 Y 8.58 3.57 0.00 2.86 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 49 R 7.70 4.83 0.00 1.96 1.98 0.00 3.40 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 50 G 7.81 3.92 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 0.00 0.00 0.00 51 R 8.79 4.02 0.00 1.81 1.97 0.00 3.20 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 52 K 8.09 4.54 0.00 1.87 1.94 0.00 1.87 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.54 7.81 53 V 8.20 3.08 2.49 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 0.88 0.00 0.00 1.00 0.00 0.00 54 I 8.39 4.51 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.89 0.92 0.00 0.00 55 A 7.97 4.31 1.10 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 0.00 0.00 56 K 8.45 4.12 0.00 1.66 1.68 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.75 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.35 7.81