NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4515 8.1627 118.3411 55.0493 33.5947 173.1086 2 Q 4.6099 8.3740 120.2547 55.3316 29.7464 174.2496 3 F 5.2564 9.6370 125.3957 55.6571 43.0481 173.8808 4 K 5.2905 9.3881 122.3637 54.6075 35.7818 174.4048 5 L 4.8414 9.0808 128.2778 53.2009 44.7037 174.9318 6 I 4.5841 8.7353 128.2055 60.2185 38.9387 174.7163 7 I 4.4400 8.6464 129.2916 59.6117 39.0017 174.8189 8 N 5.3275 9.1490 127.5866 51.4777 38.4599 173.2011 9 G 4.3848 8.5792 110.3822 43.8255 0.0000 171.6358 10 K 4.2601 9.9246 120.1169 58.8198 32.3312 178.6277 11 T 4.3355 7.9714 113.1269 64.4669 70.2533 174.4699 12 L 4.6026 7.6746 121.3238 52.9590 43.1245 175.7959 13 K 5.0624 9.5020 122.7976 54.0574 34.9735 177.5809 14 G 3.8861 7.0698 107.0911 46.0128 0.0000 170.7785 15 E 5.1268 8.2074 119.4248 55.0348 32.4203 174.9053 16 I 4.7413 8.8728 118.3075 59.0918 40.7226 174.4993 17 T 5.4523 8.5135 113.4961 60.0741 71.5770 172.6817 18 I 4.6529 8.8264 116.3791 59.2946 41.8067 173.4143 19 E 5.1542 8.5380 121.4555 54.9524 30.7288 175.5134 20 A 4.6704 8.8873 124.8947 50.6675 22.3299 176.6708 21 V 3.8722 8.5319 112.5287 63.8078 32.2922 177.3644 22 D 5.0721 7.6832 117.0186 51.4365 46.0353 176.2755 23 A 3.0769 8.6808 122.9274 54.8238 18.4583 180.1709 24 A 3.8145 7.7328 118.9218 55.4317 18.5642 179.5862 25 E 3.7975 7.9319 116.3796 59.2724 29.4981 179.1163 26 A 3.4096 7.3961 120.8102 54.9413 18.2895 179.1403 27 E 3.2389 8.0767 118.0155 59.1005 29.6267 178.9886 28 K 3.7592 7.6452 118.9940 59.3245 32.2789 178.3027 29 F 3.8482 7.8651 120.8387 61.5331 39.1882 177.2011 30 F 4.9112 8.2880 117.5321 60.6459 38.6247 177.8983 31 K 4.0732 8.5979 118.7049 59.3242 31.7465 179.0840 32 Q 3.8558 8.1062 119.8610 59.3426 28.9310 177.7933 33 Y 3.7895 8.4566 120.5108 60.5016 38.7508 177.8709 34 A 4.0176 8.7507 122.0746 55.1919 18.6391 178.6577 35 N 4.1286 8.3202 115.8393 57.3819 38.7228 176.4950 36 D 4.3449 8.0301 117.3494 56.3100 41.2505 176.3499 37 N 4.6255 7.2730 114.0143 52.0806 38.9012 174.6200 38 G 3.8967 7.6649 105.1179 46.5099 0.0000 173.8211 39 I 4.3254 7.9342 121.1079 59.5686 37.8786 175.2107 40 D 4.8500 9.1716 125.1109 52.8102 43.2784 174.1858 41 G 3.9534 8.3938 117.6771 45.3017 0.0000 170.3428 42 E 4.7450 8.7138 120.2943 55.1226 31.3319 175.6633 43 W 6.1198 9.3275 123.1167 54.4063 32.5136 174.6373 44 T 5.0042 8.5529 111.2780 60.1965 72.4824 171.8468 45 Y 5.0022 8.4503 121.5876 55.9544 42.1348 173.3475 46 D 4.4595 8.3540 126.7346 52.2200 42.9096 176.2345 47 D 4.1170 8.4906 126.5388 57.0452 41.7717 178.0948 48 A 3.9276 8.1547 121.3807 54.9569 18.3823 177.9832 49 T 4.2368 7.7565 102.1968 60.5199 69.7099 174.5783 50 K 3.8433 7.4770 120.8834 58.2641 30.4295 174.7321 51 T 5.2854 7.3380 113.3717 61.9847 72.4357 174.7715 52 F 5.4669 9.8059 125.8149 56.7485 41.4762 174.9238 53 T 5.1649 8.8089 111.3470 59.8094 72.0841 173.0333 54 V 4.3495 8.2921 123.2975 59.9927 34.3793 174.5089 55 T 4.9255 8.4198 120.4458 61.7438 72.2394 173.9064 56 E 4.2642 8.9013 125.3813 56.4440 29.2922 176.2211 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 M 8.16 4.45 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.36 0.00 2 Q 8.37 4.61 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 3 F 9.64 5.26 0.00 3.22 3.48 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 4 K 9.39 5.29 0.00 1.90 1.69 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.37 7.81 5 L 9.08 4.84 0.00 0.27 0.65 0.66 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.74 4.58 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.42 0.86 0.00 0.00 7 I 8.65 4.44 1.85 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 1.12 0.75 0.92 0.00 0.00 8 N 9.15 5.33 0.00 2.62 2.58 0.00 0.00 6.54 7.65 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 9 G 8.58 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.92 4.26 0.00 1.70 1.87 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.39 7.81 11 T 7.97 4.34 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 1.21 0.00 0.00 12 L 7.67 4.60 0.00 1.71 1.61 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 13 K 9.50 5.06 0.00 1.72 1.69 0.00 1.87 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.34 7.81 14 G 7.07 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 15 E 8.21 5.13 0.00 1.90 1.86 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 2.16 2.30 0.00 16 I 8.87 4.74 1.83 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.77 0.77 0.00 0.00 17 T 8.51 5.45 4.31 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 1.26 0.00 0.00 18 I 8.83 4.65 1.37 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.16 0.22 0.00 0.00 19 E 8.54 5.15 0.00 1.83 1.90 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 2.23 2.29 0.00 20 A 8.89 4.67 1.09 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 21 V 8.53 3.87 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 0.76 0.00 0.00 0.93 0.00 0.00 22 D 7.68 5.07 0.00 2.57 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.68 3.08 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 24 A 7.73 3.81 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 25 E 7.93 3.80 0.00 1.86 1.90 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 2.33 2.27 0.00 26 A 7.40 3.41 0.57 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 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.08 3.24 0.00 1.95 1.92 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 2.00 1.94 0.00 28 K 7.65 3.76 0.00 1.79 1.80 0.00 1.65 0.00 0.00 1.52 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.36 7.81 29 F 7.87 3.85 0.00 3.01 2.71 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 0.00 0.00 0.00 30 F 8.29 4.91 0.00 3.03 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 8.60 4.07 0.00 1.61 1.72 0.00 1.44 0.00 0.00 1.27 0.00 0.00 2.13 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.73 1.26 7.81 32 Q 8.11 3.86 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 33 Y 8.46 3.79 0.00 2.95 3.30 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 34 A 8.75 4.02 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 0.00 0.00 0.00 0.00 0.00 35 N 8.32 4.13 0.00 3.00 3.06 0.00 0.00 6.92 8.52 0.00 0.00 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 D 8.03 4.34 0.00 2.80 2.44 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 37 N 7.27 4.63 0.00 2.39 2.58 0.00 0.00 6.96 8.74 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 38 G 7.66 3.90 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 0.00 0.00 0.00 39 I 7.93 4.33 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.77 0.83 0.00 0.00 40 D 9.17 4.85 0.00 2.60 2.56 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 0.00 0.00 0.00 0.00 41 G 8.39 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 0.00 0.00 0.00 42 E 8.71 4.74 0.00 1.94 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 2.33 2.30 0.00 43 W 9.33 6.12 0.00 3.16 3.29 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 44 T 8.55 5.00 4.31 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 1.28 0.00 0.00 45 Y 8.45 5.00 0.00 2.65 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 46 D 8.35 4.46 0.00 2.58 2.22 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 0.00 0.00 0.00 0.00 47 D 8.49 4.12 0.00 2.90 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 48 A 8.15 3.93 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 49 T 7.76 4.24 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 1.17 0.00 0.00 50 K 7.48 3.84 0.00 1.79 1.47 0.00 1.25 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.36 1.28 7.81 51 T 7.34 5.29 4.14 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 0.00 0.00 0.00 1.21 0.00 0.00 52 F 9.81 5.47 0.00 3.05 3.28 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 0.00 53 T 8.81 5.16 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 54 V 8.29 4.35 0.67 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 0.44 0.00 0.00 0.03 0.00 0.00 55 T 8.42 4.93 4.18 0.00 0.00 0.00 0.00 0.00 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 56 E 8.90 4.26 0.00 1.81 1.83 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 2.40 2.19 0.00