NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.5891 0.0000 0.0000 62.6837 33.6195 174.3889 2 W 5.2031 8.1229 116.3385 54.3967 31.5433 172.6447 3 A 5.1780 10.2637 122.7543 50.9868 23.4495 176.0870 4 T 5.0486 8.7439 115.6237 61.4029 71.3706 174.2619 5 A 4.3664 8.9332 129.1682 52.4710 18.8238 177.9830 6 E 4.0274 9.3969 122.4990 58.0162 30.4257 176.3205 7 Y 5.1972 7.7927 114.4309 55.9994 42.3253 174.9528 8 D 4.8661 9.0976 121.3957 54.9584 42.0252 175.2730 9 Y 4.3321 8.5679 123.0182 55.7450 41.8393 173.5247 10 D 4.7508 7.5081 126.0902 52.0886 42.2642 176.3669 11 A 4.3786 8.1759 125.7759 52.3016 18.9012 177.0547 12 A 4.6072 9.3820 121.2406 51.6934 20.7309 175.9651 13 E 4.8124 7.6642 114.3048 54.3069 33.7363 176.2005 14 D 4.4358 8.6889 120.1888 56.9685 41.1874 177.2224 15 N 4.7712 8.1388 115.1868 52.6898 37.7726 173.8327 16 E 5.4055 7.6815 117.7082 55.0046 31.9138 175.8926 17 L 4.5994 8.8896 122.2651 55.0040 43.0436 176.5280 18 T 4.8622 8.3806 116.8054 61.9225 71.5775 173.3162 19 F 5.0317 8.6018 119.7619 56.2571 42.0971 173.0820 20 V 5.0758 9.2396 112.0347 58.9599 35.4035 175.4754 21 E 4.2218 9.1980 121.8548 58.7764 29.6857 178.1508 22 N 4.6116 9.0643 119.6521 53.2935 37.9917 174.7085 23 D 4.5695 8.0268 118.7115 54.2861 42.3467 175.4560 24 K 4.9664 8.4568 120.7429 55.2663 34.5791 175.3877 25 I 4.8601 8.7466 125.3136 59.4188 39.9185 174.9182 26 I 4.7357 9.0423 120.3451 58.3427 41.0602 174.4546 27 N 4.3862 8.6080 118.0101 54.6599 37.0365 174.5231 28 I 4.0928 7.7800 117.8738 61.2607 38.3630 176.1187 29 E 4.4368 8.9163 124.4274 54.6592 32.0539 176.6284 30 F 4.5855 8.3189 125.3039 56.3774 37.4536 176.0930 31 V 3.8650 7.6163 114.9022 63.5137 32.3068 175.7767 32 D 4.8519 7.7206 115.9080 52.8817 44.5077 174.7498 33 D 4.7270 8.9338 121.7707 56.9663 41.0329 177.4666 34 D 4.5274 7.7757 114.7294 53.8463 42.3395 175.8044 35 W 4.9013 7.9340 118.8692 54.4321 32.8931 174.4740 36 W 5.0701 8.3215 123.6240 54.7598 32.6106 174.0370 37 L 5.2631 8.4985 123.6385 54.0107 44.1358 175.6515 38 G 4.4375 9.0048 111.3202 45.7989 0.0000 170.7818 39 E 5.3816 8.8842 120.0695 53.9879 32.8788 175.2249 40 L 4.3614 8.9306 127.5599 54.6312 41.3075 177.5919 41 E 3.9848 9.0835 125.6064 59.2482 30.0306 179.1975 42 K 4.2338 8.1298 117.3431 59.0400 33.0557 177.2060 43 D 4.5652 7.4689 111.8189 52.4250 41.6696 176.2560 44 G 3.9660 8.4271 108.4589 45.9327 0.0000 174.1906 45 S 4.4731 8.4836 115.4005 58.2815 64.3011 173.5189 46 K 5.1576 9.0098 119.8393 54.3992 36.1324 175.8524 47 G 4.0949 8.1035 108.7206 46.6179 0.0000 171.5224 48 L 5.4468 8.4473 120.1720 54.5526 43.3759 176.4967 49 F 5.0526 8.6488 115.0079 55.1717 41.8824 171.7773 50 P 3.5168 0.0000 0.0000 61.5623 31.8411 177.9346 51 S 3.1997 7.8110 118.3745 60.9637 62.6283 175.8586 52 N 4.4987 7.6085 115.8484 54.7558 38.5899 175.0531 53 Y 4.4158 8.2768 116.2422 59.0567 38.4643 175.0247 54 V 5.0416 7.6165 111.9018 59.4639 36.0784 174.8631 55 S 4.7678 8.8465 116.3040 56.1824 65.1875 173.3397 56 L 4.1672 8.8268 127.1012 56.3342 42.1317 178.9979 57 G 2.6688 7.7945 112.2479 44.2686 0.0000 173.5022 58 N 4.6885 8.3096 116.0199 53.1815 37.6679 174.7910 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 P 0.00 4.59 0.00 2.05 2.25 0.00 3.74 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.13 0.00 2 W 8.12 5.20 0.00 3.59 3.15 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 0.00 0.00 0.00 0.00 3 A 10.26 5.18 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 4 T 8.74 5.05 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 1.25 0.00 0.00 5 A 8.93 4.37 1.27 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 0.00 0.00 6 E 9.40 4.03 0.00 1.52 1.24 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 2.18 2.22 0.00 7 Y 7.79 5.20 0.00 2.91 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 8 D 9.10 4.87 0.00 2.67 2.64 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 Y 8.57 4.33 0.00 2.12 1.43 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.51 4.75 0.00 2.23 2.32 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.18 4.38 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 12 A 9.38 4.61 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 13 E 7.66 4.81 0.00 2.04 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 2.36 2.18 0.00 14 D 8.69 4.44 0.00 2.66 2.74 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 15 N 8.14 4.77 0.00 2.94 3.02 0.00 0.00 6.16 7.66 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 16 E 7.68 5.41 0.00 2.16 2.23 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 2.44 2.31 0.00 17 L 8.89 4.60 0.00 1.91 1.93 1.07 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.38 4.86 4.26 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 1.20 0.00 0.00 19 F 8.60 5.03 0.00 3.18 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.24 5.08 2.23 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 0.78 0.00 0.00 1.08 0.00 0.00 21 E 9.20 4.22 0.00 1.98 1.95 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 2.47 2.44 0.00 22 N 9.06 4.61 0.00 2.87 3.06 0.00 0.00 7.04 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.03 4.57 0.00 2.68 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.46 4.97 0.00 1.56 1.59 0.00 1.26 0.00 0.00 1.01 0.00 0.00 2.65 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.52 1.38 7.81 25 I 8.75 4.86 1.55 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.22 0.69 0.00 0.00 26 I 9.04 4.74 1.89 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 1.28 0.92 0.82 0.00 0.00 27 N 8.61 4.39 0.00 2.82 2.88 0.00 0.00 7.02 7.94 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 28 I 7.78 4.09 1.70 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.70 0.03 0.00 0.00 29 E 8.92 4.44 0.00 1.88 1.79 0.00 0.00 0.00 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 2.37 0.00 30 F 8.32 4.59 0.00 2.88 2.82 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 0.00 0.00 0.00 31 V 7.62 3.86 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 1.09 0.00 0.00 32 D 7.72 4.85 0.00 2.77 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 33 D 8.93 4.73 0.00 2.79 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.78 4.53 0.00 2.84 2.45 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 35 W 7.93 4.90 0.00 3.20 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 36 W 8.32 5.07 0.00 2.29 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.50 5.26 0.00 1.84 1.54 1.02 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 38 G 9.00 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.88 5.38 0.00 2.05 1.91 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 2.18 2.52 0.00 40 L 8.93 4.36 0.00 1.82 1.57 1.07 0.61 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 41 E 9.08 3.98 0.00 1.89 1.85 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 2.19 2.23 0.00 42 K 8.13 4.23 0.00 1.89 1.91 0.00 1.61 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.43 7.81 43 D 7.47 4.57 0.00 2.71 2.74 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 44 G 8.43 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 0.00 0.00 0.00 45 S 8.48 4.47 0.00 3.95 4.04 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 0.00 0.00 0.00 0.00 46 K 9.01 5.16 0.00 1.65 1.76 0.00 1.90 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.37 1.58 7.81 47 G 8.10 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 48 L 8.45 5.45 0.00 1.69 1.83 0.78 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 49 F 8.65 5.05 0.00 2.97 3.26 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 50 P 0.00 3.52 0.00 1.90 1.00 0.00 2.50 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.55 0.00 51 S 7.81 3.20 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.61 4.50 0.00 2.59 2.78 0.00 0.00 6.93 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 8.28 4.42 0.00 3.44 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.62 5.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 1.36 0.00 0.00 55 S 8.85 4.77 0.00 4.10 3.65 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 56 L 8.83 4.17 0.00 1.51 1.45 0.96 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 57 G 7.79 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 0.00 0.00 0.00 58 N 8.31 4.69 0.00 2.95 3.14 0.00 0.00 5.73 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00