NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.1473 8.1801 120.6303 54.7184 42.8383 176.2937 2 A 3.9780 8.5062 124.0895 52.0107 17.1063 175.2879 3 A 4.8864 8.9879 124.4129 51.0707 23.0491 174.4831 4 V 4.6407 7.7741 111.5387 59.9443 35.1444 175.9004 5 S 4.4957 8.3400 115.7888 58.1870 66.4215 176.7578 6 V 4.1538 8.3116 118.6146 60.3989 32.6366 175.5775 7 D 4.6514 8.4147 122.5757 54.7188 41.1310 177.2574 8 C 4.7878 8.5170 117.7679 56.7807 42.4076 176.1990 9 S 3.7311 8.4529 117.9922 60.9384 62.4964 174.6724 10 E 4.7208 7.8126 119.4359 56.0895 29.8475 175.3073 11 Y 4.4444 7.7409 114.2941 55.5091 41.9571 173.4935 12 P 4.9685 0.0000 0.0000 61.6580 33.2047 175.2263 13 K 4.3338 8.2828 119.2370 54.5484 33.5320 175.2607 14 P 4.4800 0.0000 0.0000 64.4895 32.0149 176.0592 15 A 4.7197 7.5040 119.2132 50.8519 22.0024 175.6944 16 C 5.0969 8.4485 117.3790 54.7520 42.1451 174.5670 17 T 4.1050 8.5344 114.5710 62.0286 68.8231 174.1822 18 L 4.5927 8.3573 124.3108 55.5688 40.9529 176.3701 19 E 4.0034 7.6224 118.1912 57.4146 29.7647 175.9651 20 Y 4.7849 8.5541 124.0914 56.4093 40.2530 176.1997 21 R 4.7219 7.8030 127.5549 53.7465 31.1154 172.8571 22 P 5.0328 0.0000 0.0000 62.4523 33.4312 177.1200 23 L 4.6942 8.7495 120.7767 51.8390 45.0531 174.9198 24 C 4.7532 8.3551 125.5351 56.2684 39.9627 173.9050 25 G 4.4788 8.2478 113.8542 43.6107 0.0000 173.8517 26 S 4.2730 8.2634 112.9952 60.6268 62.2031 175.9411 27 D 4.4184 8.1506 119.5660 54.5163 39.2983 176.6793 28 N 4.1780 7.9632 115.4711 54.0564 36.5844 173.6516 29 K 4.5677 7.8490 117.7003 54.6566 35.0144 174.9699 30 T 4.4209 7.9548 119.6222 62.6737 69.7730 173.9680 31 Y 4.6880 8.2690 122.8433 55.7787 40.5659 177.4074 32 G 3.8478 8.9531 113.7994 48.6083 0.0000 172.2811 33 N 5.4215 7.7803 114.3318 51.8681 39.6065 174.6585 34 K 4.1591 8.4699 116.7464 59.8881 32.3725 179.2133 35 C 4.5222 8.1546 120.2429 60.0326 38.0354 174.9086 36 N 4.2123 8.1446 117.3626 55.5918 38.3948 177.1583 37 F 3.9819 8.6112 123.0542 61.6453 39.5479 176.5119 38 C 3.6651 8.0039 115.5532 58.8257 40.6255 175.9306 39 N 4.2494 8.1967 118.8430 56.3142 38.1743 177.0060 40 A 3.8165 7.1296 120.3995 53.6521 18.1732 179.7108 41 V 3.2770 6.8584 117.4948 65.6682 31.5586 178.5204 42 V 3.6162 7.4627 117.1526 64.3491 31.3809 177.8879 43 E 4.0480 8.0590 119.2253 59.3442 29.4208 178.8030 44 S 4.1000 7.3892 111.9494 59.0581 62.5978 173.3763 45 N 4.1949 8.1234 117.5189 54.1311 35.2174 174.7934 46 G 4.0623 8.4790 108.1562 47.0411 0.0000 175.6526 47 T 4.0846 7.5740 108.6001 63.6849 69.5180 175.3189 48 L 4.1613 7.6437 123.5624 55.1048 42.9140 175.4189 49 T 4.7527 8.0843 113.4876 60.6293 72.8511 171.7667 50 L 4.4438 8.4305 124.0658 54.1071 42.1209 175.8694 51 S 4.5192 8.5493 122.6081 61.2768 62.9595 173.8236 52 H 4.9681 7.5772 112.4625 54.2289 31.3400 173.5541 53 F 4.0403 9.2226 119.1945 58.4953 39.2915 176.3625 54 G 3.8084 8.5344 111.6764 44.6339 0.0000 173.1445 55 K 4.3001 8.0874 117.2086 55.2287 34.3546 177.2890 56 C 4.5425 8.5584 115.8689 57.5262 41.0882 173.9447 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 L 8.18 4.15 0.00 1.66 1.74 0.93 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 2 A 8.51 3.98 1.29 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 3 A 8.99 4.89 1.25 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 0.00 0.00 4 V 7.77 4.64 2.33 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 0.87 0.00 0.00 1.02 0.00 0.00 5 S 8.34 4.50 0.00 3.84 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 6 V 8.31 4.15 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 0.77 0.00 0.00 0.95 0.00 0.00 7 D 8.41 4.65 0.00 2.69 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.52 4.79 0.00 2.75 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 9 S 8.45 3.73 0.00 3.90 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 10 E 7.81 4.72 0.00 1.48 1.77 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 2.24 2.29 0.00 11 Y 7.74 4.44 0.00 2.97 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 12 P 0.00 4.97 0.00 2.18 2.09 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.96 0.00 13 K 8.28 4.33 0.00 1.78 1.79 0.00 1.54 0.00 0.00 1.42 0.00 0.00 3.16 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.90 0.98 7.81 14 P 0.00 4.48 0.00 2.14 2.15 0.00 3.46 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 1.92 2.03 0.00 15 A 7.50 4.72 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 16 C 8.45 5.10 0.00 2.98 3.03 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 17 T 8.53 4.10 4.54 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 1.24 0.00 0.00 18 L 8.36 4.59 0.00 1.81 1.82 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 19 E 7.62 4.00 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 20 Y 8.55 4.78 0.00 2.74 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 21 R 7.80 4.72 0.00 1.68 1.76 0.00 3.35 0.00 0.00 3.42 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 22 P 0.00 5.03 0.00 2.00 1.71 0.00 3.29 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.44 0.00 23 L 8.75 4.69 0.00 1.10 0.55 0.83 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.36 4.75 0.00 2.75 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 25 G 8.25 4.48 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 0.00 26 S 8.26 4.27 0.00 3.93 3.95 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 27 D 8.15 4.42 0.00 2.90 2.98 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 28 N 7.96 4.18 0.00 2.96 3.01 0.00 0.00 6.72 7.22 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 29 K 7.85 4.57 0.00 1.83 1.35 0.00 1.44 0.00 0.00 1.53 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.25 1.44 7.81 30 T 7.95 4.42 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 1.13 0.00 0.00 31 Y 8.27 4.69 0.00 3.26 2.93 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 32 G 8.95 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 33 N 7.78 5.42 0.00 2.85 3.01 0.00 0.00 6.56 7.39 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 34 K 8.47 4.16 0.00 2.03 2.12 0.00 1.50 0.00 0.00 1.89 0.00 0.00 3.25 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.54 1.61 7.81 35 C 8.15 4.52 0.00 3.16 3.21 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 0.00 0.00 0.00 0.00 36 N 8.14 4.21 0.00 2.95 3.08 0.00 0.00 6.94 8.22 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 37 F 8.61 3.98 0.00 3.02 3.06 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 0.00 0.00 0.00 0.00 38 C 8.00 3.67 0.00 1.78 1.93 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 39 N 8.20 4.25 0.00 2.78 2.83 0.00 0.00 6.77 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.13 3.82 0.24 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 41 V 6.86 3.28 1.65 0.00 0.00 0.00 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 -0.10 0.00 0.00 42 V 7.46 3.62 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.95 0.00 0.00 43 E 8.06 4.05 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 44 S 7.39 4.10 0.00 3.86 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 45 N 8.12 4.19 0.00 3.03 3.19 0.00 0.00 7.22 6.50 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 46 G 8.48 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.57 4.08 4.23 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 1.25 0.00 0.00 48 L 7.64 4.16 0.00 1.60 1.49 1.10 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.08 4.75 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 1.28 0.00 0.00 50 L 8.43 4.44 0.00 1.66 1.73 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.55 4.52 0.00 3.95 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 52 H 7.58 4.97 0.00 3.33 3.37 0.00 5.71 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 9.22 4.04 0.00 2.84 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 54 G 8.53 3.81 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 0.00 0.00 0.00 55 K 8.09 4.30 0.00 1.85 1.75 0.00 1.50 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.51 7.81 56 C 8.56 4.54 0.00 2.98 3.06 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 0.00 0.00 0.00 0.00