NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1A R 4.3051 8.2544 119.7066 56.1257 31.7162 174.3694 1B K 4.0875 8.5164 118.3602 56.5882 35.8400 173.5004 1C L 3.3968 8.8295 125.7346 55.7864 41.5471 178.6124 1 C 4.0381 8.5634 121.9808 60.8900 40.0202 175.7585 2 S 4.0079 8.1768 114.8041 59.7880 62.7588 173.6669 3 L 4.3746 8.4713 124.3253 54.5488 43.6310 176.0117 4 D 4.3004 9.5386 127.3247 56.9528 39.5108 172.7228 5 N 4.3539 8.2658 112.1728 53.0209 38.0715 174.1041 6 G 3.9990 9.6081 101.7713 45.8048 0.0000 174.2629 7 D 4.4935 8.9254 116.5218 54.7368 40.1509 173.2479 8 C 4.8039 7.9992 114.0835 55.8689 40.7402 173.8605 9 D 4.4868 9.0900 123.0758 57.0561 42.0009 177.1897 10 Q 4.5462 7.2447 113.5322 55.1986 30.9449 179.3390 11 F 4.5921 7.4234 128.8210 59.1768 39.7011 172.2431 12 C 5.6148 8.7917 122.6171 55.2963 45.3954 173.3562 13 H 4.6276 8.6706 119.8871 54.8109 30.4327 173.0502 14 E 4.4380 9.0220 123.6725 56.2326 30.4736 177.3048 15 E 5.2571 8.4133 121.9804 56.8416 31.5505 173.8559 16 Q 3.2626 7.6880 131.4939 56.6449 27.1003 174.5146 17 N 3.9301 6.9289 121.9825 52.2173 34.4094 173.9710 18 S 4.7210 7.2399 113.9690 57.6841 65.0803 177.2664 19 V 4.4357 8.2229 122.2576 61.8168 33.2478 175.1747 20 V 4.3710 7.7437 121.7847 61.4901 34.3060 173.6629 21 C 5.3587 8.8768 125.2736 56.0265 36.8987 172.9277 22 S 4.8810 8.9136 114.9915 57.7319 66.4924 172.1341 23 C 4.9021 8.6439 116.5581 54.6515 38.8884 173.8901 24 A 4.6021 7.8421 123.8627 51.6976 18.9401 177.1016 25 R 4.2098 8.3704 119.0198 56.9479 30.5927 176.8374 26 G 3.9851 8.7632 110.2281 45.4147 0.0000 172.7583 27 Y 5.2845 7.8755 117.2915 56.2388 41.1925 175.1856 28 T 4.7123 9.3813 114.2861 59.3815 71.7241 173.3410 29 L 4.5285 8.6055 126.8623 55.2226 42.8264 176.5141 30 A 4.1755 8.7205 128.2267 51.5432 19.6011 177.4142 31 D 4.2794 9.0493 118.3169 57.8206 41.3860 177.9536 32 N 4.1888 8.2919 115.5099 53.8686 37.2239 175.9674 33 G 3.8936 8.6102 106.6065 46.1845 0.0000 173.9447 34 K 4.4952 7.9295 118.5890 57.3998 35.3231 176.7596 35 A 4.9129 8.5020 121.1537 51.0268 20.4154 175.9126 36 C 4.9736 8.7259 115.3709 55.4368 41.5900 174.1456 37 I 4.3865 8.8614 126.3871 59.3638 38.4108 173.8416 38 P 4.0863 0.0000 0.0000 63.2288 31.0977 176.3315 39 T 3.9012 9.2885 124.3181 66.3358 68.3745 176.5760 40 G 3.9370 7.5287 108.9497 43.7707 0.0000 171.4317 41 P 4.1815 0.0000 0.0000 64.6395 31.5709 176.7334 42 Y 4.5365 7.4091 115.0494 55.0451 37.9613 173.1668 43 P 4.3607 0.0000 0.0000 61.7829 32.5192 177.0875 44 C 4.3269 8.5704 114.5556 59.3466 30.2086 174.5378 45 G 3.9699 8.8415 107.4010 45.7607 0.0000 173.3214 46 K 4.6087 7.4142 118.8732 54.1245 33.9969 176.4510 47 Q 4.2231 8.5855 123.1847 56.1940 29.7338 176.4075 48 T 4.3049 8.1957 111.2261 61.2627 68.7388 174.8281 49 L 4.0693 7.7801 125.0219 55.9682 41.0741 174.9643 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 1A R 8.25 4.31 0.00 1.82 1.93 0.00 3.21 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 1B K 8.52 4.09 0.00 1.80 1.57 0.00 1.86 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.52 7.81 1C L 8.83 3.40 0.00 1.98 1.10 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 1 C 8.56 4.04 0.00 2.98 3.17 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 2 S 8.18 4.01 0.00 4.03 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 3 L 8.47 4.37 0.00 1.65 1.62 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 4 D 9.54 4.30 0.00 2.86 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 5 N 8.27 4.35 0.00 2.93 2.75 0.00 0.00 7.57 7.90 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 6 G 9.61 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.93 4.49 0.00 2.73 2.78 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 8 C 8.00 4.80 0.00 3.06 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 9 D 9.09 4.49 0.00 2.85 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.24 4.55 0.00 1.60 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.89 0.00 0.00 0.00 0.00 0.00 1.83 1.99 0.00 11 F 7.42 4.59 0.00 3.09 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 12 C 8.79 5.61 0.00 2.97 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 13 H 8.67 4.63 0.00 3.15 3.37 0.00 5.34 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 9.02 4.44 0.00 1.88 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 2.32 2.34 0.00 15 E 8.41 5.26 0.00 2.14 2.01 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 2.18 1.99 0.00 16 Q 7.69 3.26 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.95 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 17 N 6.93 3.93 0.00 2.80 2.88 0.00 0.00 7.05 7.57 0.00 0.00 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 S 7.24 4.72 0.00 3.97 4.10 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 19 V 8.22 4.44 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 0.92 0.00 0.00 20 V 7.74 4.37 1.73 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 0.90 0.00 0.00 0.93 0.00 0.00 21 C 8.88 5.36 0.00 3.12 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 22 S 8.91 4.88 0.00 4.14 4.05 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 0.00 0.00 0.00 0.00 23 C 8.64 4.90 0.00 3.01 2.80 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 24 A 7.84 4.60 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 25 R 8.37 4.21 0.00 1.90 1.95 0.00 3.24 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 26 G 8.76 3.99 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 0.00 0.00 0.00 27 Y 7.88 5.28 0.00 2.77 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 28 T 9.38 4.71 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 1.23 0.00 0.00 29 L 8.61 4.53 0.00 1.70 1.65 1.09 1.12 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 30 A 8.72 4.18 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.05 4.28 0.00 2.65 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 32 N 8.29 4.19 0.00 2.98 3.08 0.00 0.00 5.98 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 33 G 8.61 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 34 K 7.93 4.50 0.00 1.80 2.01 0.00 1.66 0.00 0.00 1.95 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.52 7.81 35 A 8.50 4.91 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 36 C 8.73 4.97 0.00 2.69 2.96 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 37 I 8.86 4.39 1.97 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 1.37 1.17 0.90 0.00 0.00 38 P 0.00 4.09 0.00 1.75 1.60 0.00 3.64 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 39 T 9.29 3.90 4.33 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 1.18 0.00 0.00 40 G 7.53 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 0.00 0.00 0.00 41 P 0.00 4.18 0.00 1.95 1.93 0.00 3.68 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 42 Y 7.41 4.54 0.00 2.92 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 43 P 0.00 4.36 0.00 1.04 1.33 0.00 3.67 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.58 0.00 44 C 8.57 4.33 0.00 3.22 3.20 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 0.00 0.00 0.00 45 G 8.84 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 46 K 7.41 4.61 0.00 1.84 1.76 0.00 1.78 0.00 0.00 1.78 0.00 0.00 3.13 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.57 1.58 7.81 47 Q 8.59 4.22 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.67 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 48 T 8.20 4.30 4.42 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 1.36 0.00 0.00 49 L 7.78 4.07 0.00 1.83 1.89 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00