NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 3.9964 0.0000 0.0000 61.5849 32.5045 176.2458 3 L 3.9459 8.2998 123.4420 54.3846 42.3920 176.3339 4 K 4.1853 10.2973 122.9441 55.5329 34.8811 176.3805 5 P 4.2606 0.0000 0.0000 66.2395 31.4008 178.9415 6 E 3.9809 8.1377 116.5518 59.2370 29.4781 179.1490 7 E 3.9982 7.9622 118.4361 59.5362 29.7261 178.5048 8 H 4.1526 8.4077 118.3901 59.1444 29.9351 176.8755 9 E 3.9554 8.5034 121.3879 59.5109 29.5193 178.6024 10 D 4.3933 8.0491 118.5509 57.3761 40.8372 178.8949 11 I 3.7539 7.6729 119.9753 64.1039 36.9994 178.4608 12 L 3.9330 7.8916 119.8360 58.0229 41.3007 179.3179 13 N 4.3485 7.9475 114.8757 56.1551 38.3141 177.1208 14 K 4.1008 7.8317 120.6917 59.3717 32.1581 178.6351 15 L 4.2129 7.7566 117.2289 56.5198 41.6347 178.6012 16 L 4.2432 7.5405 120.1354 56.5419 42.4180 176.1911 17 D 4.3724 7.4775 118.2206 53.5946 41.2036 174.9975 18 P 4.2783 0.0000 0.0000 65.4604 31.5040 177.1718 19 E 4.3323 8.3249 115.3147 55.9796 29.5736 176.2846 20 L 3.9445 7.5980 122.0473 54.5584 42.7390 177.1755 21 A 4.0633 8.6331 127.4094 52.5730 19.9922 177.9864 22 Q 3.9287 8.7448 124.0181 59.3409 29.1636 179.2007 23 S 4.1085 8.0157 114.7168 61.6703 63.0053 176.2721 24 E 3.9834 8.1236 121.7578 58.8037 29.1598 178.9398 25 R 3.8650 8.0679 119.2920 59.6828 30.2622 178.5585 26 T 3.8403 8.2719 109.8209 64.8457 68.5508 175.8418 27 E 3.8924 8.3157 121.7930 58.9770 29.7210 178.6432 28 A 3.9611 8.1773 120.9151 55.2648 18.4011 179.5632 29 L 3.9525 8.1008 117.5689 57.9700 41.5709 179.8142 30 Q 3.9932 8.1751 117.9461 59.0589 28.6463 178.7274 31 Q 4.0236 7.9930 118.9149 59.1574 28.7182 179.2273 32 L 4.0498 7.8882 119.7295 57.7104 41.7015 179.5694 33 R 3.9364 8.3204 118.9762 59.3666 30.1063 178.7436 34 V 3.5812 8.1853 118.4003 66.0587 31.5374 177.3108 35 N 4.2961 8.3441 116.8658 57.1335 38.7728 176.1643 36 Y 4.2000 8.6957 121.3098 60.3998 38.8329 178.1632 37 G 3.6164 8.2570 106.8006 47.8321 0.0000 175.8810 38 S 4.1372 8.0145 117.9627 61.1825 62.8242 176.4230 39 F 4.4912 8.3454 123.3584 61.6592 39.1110 177.3477 40 V 3.2960 7.6994 117.6777 65.7349 31.1870 177.9310 41 S 4.0474 8.0919 112.9085 61.4394 62.3606 175.5454 42 E 3.9420 8.7625 122.3430 59.6755 29.3222 178.2392 43 Y 4.0424 8.3630 119.5994 60.7249 38.8187 177.7180 44 N 4.2705 8.3627 117.4832 56.2226 38.6051 177.1142 45 D 4.2884 8.2413 120.4068 57.3761 40.9752 178.5450 46 L 3.9362 7.8429 120.6760 58.5486 42.0986 179.2257 47 T 3.7474 7.5370 115.6200 66.2959 68.2980 176.9697 48 K 4.0977 7.9633 120.5036 59.3905 32.0227 179.2588 49 S 4.0303 8.3644 113.8178 61.8438 62.3681 175.7661 50 H 4.0724 8.6454 121.1254 59.2331 29.5865 177.0991 51 E 4.0310 8.1250 120.1815 58.9682 29.3115 179.1143 52 K 3.9179 8.0592 119.7253 59.4359 32.2452 178.8071 53 L 3.8995 8.1946 119.3611 57.9068 41.7089 179.3606 54 A 3.9327 8.0289 120.2939 55.1523 18.3433 179.5960 55 A 3.9606 7.8962 118.8508 55.1702 18.4143 179.5094 56 E 3.8898 8.1727 117.9631 59.0137 29.6810 178.8989 57 K 3.8537 8.3646 120.1691 59.6673 32.3214 178.1650 58 D 4.3345 7.9451 117.8720 57.4259 40.9811 178.0240 59 D 4.3237 7.9874 118.8735 57.5088 40.8959 178.7557 60 L 4.0441 8.1246 119.4854 57.8230 41.4392 179.8204 61 I 3.7442 7.9351 119.9173 64.2056 36.9745 178.5299 62 V 3.5660 7.7855 119.1738 66.0986 31.2755 178.0436 63 S 4.0708 8.4724 113.2912 61.3471 62.2307 175.5733 64 N 4.2975 8.5807 120.2678 56.6038 38.6848 176.8244 65 S 4.1072 8.3792 114.7820 61.3898 62.4877 176.3205 66 K 4.0207 8.2946 121.3256 59.3943 31.8170 179.2782 67 L 3.9891 8.2044 119.4876 57.7770 41.3648 179.3633 68 F 4.0727 8.0397 118.9925 61.3205 39.6963 176.6435 69 R 3.9889 8.1869 118.2703 59.5019 29.8744 178.0411 70 Q 3.9059 8.3586 119.5322 59.4904 28.7512 178.5103 71 I 3.7849 7.7885 120.6817 64.1589 36.8401 178.3192 72 G 3.5160 7.4903 105.0682 46.6375 0.0000 175.1864 73 L 4.1986 7.5852 120.3658 56.8990 41.8569 176.9125 74 T 4.1300 7.3593 119.4419 63.6374 68.5221 174.4182 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 2 P 0.00 4.00 0.00 1.42 0.49 0.00 3.49 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.51 0.00 3 L 8.30 3.95 0.00 1.70 1.62 0.97 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 4 K 10.30 4.19 0.00 1.74 1.83 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.67 7.81 5 P 0.00 4.26 0.00 2.16 2.13 0.00 3.59 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 6 E 8.14 3.98 0.00 2.05 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 2.40 2.46 0.00 7 E 7.96 4.00 0.00 2.16 1.99 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 2.39 2.35 0.00 8 H 8.41 4.15 0.00 3.19 3.48 0.00 5.59 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.50 3.96 0.00 2.36 2.10 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 2.32 2.41 0.00 10 D 8.05 4.39 0.00 3.02 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 11 I 7.67 3.75 1.95 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.99 0.87 0.00 0.00 12 L 7.89 3.93 0.00 1.82 1.68 0.94 0.40 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 13 N 7.95 4.35 0.00 2.70 2.88 0.00 0.00 7.07 6.95 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 14 K 7.83 4.10 0.00 1.92 1.97 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.47 7.81 15 L 7.76 4.21 0.00 1.79 1.69 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.54 4.24 0.00 1.58 1.84 0.91 1.66 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 17 D 7.48 4.37 0.00 2.83 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 18 P 0.00 4.28 0.00 2.07 2.09 0.00 3.71 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 19 E 8.32 4.33 0.00 2.06 1.97 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 2.31 2.38 0.00 20 L 7.60 3.94 0.00 1.69 1.63 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.63 4.06 1.28 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 0.00 0.00 22 Q 8.74 3.93 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 23 S 8.02 4.11 0.00 4.08 4.11 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.12 3.98 0.00 2.19 2.03 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 2.39 2.36 0.00 25 R 8.07 3.87 0.00 1.92 2.07 0.00 3.14 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 26 T 8.27 3.84 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 1.25 0.00 0.00 27 E 8.32 3.89 0.00 2.19 2.17 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 2.31 2.33 0.00 28 A 8.18 3.96 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 29 L 8.10 3.95 0.00 1.87 1.73 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 8.18 3.99 0.00 2.36 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 31 Q 7.99 4.02 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.66 0.00 32 L 7.89 4.05 0.00 1.86 1.74 0.87 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.32 3.94 0.00 1.96 2.10 0.00 3.12 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 34 V 8.19 3.58 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.00 0.00 0.00 35 N 8.34 4.30 0.00 2.88 3.12 0.00 0.00 6.93 7.07 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 36 Y 8.70 4.20 0.00 3.31 3.04 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 37 G 8.26 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.01 4.14 0.00 4.07 3.96 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 39 F 8.35 4.49 0.00 3.12 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 40 V 7.70 3.30 1.99 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 0.88 0.00 0.00 0.36 0.00 0.00 41 S 8.09 4.05 0.00 3.96 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 42 E 8.76 3.94 0.00 2.19 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 0.00 2.43 2.39 0.00 43 Y 8.36 4.04 0.00 2.96 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 44 N 8.36 4.27 0.00 2.98 2.83 0.00 0.00 7.03 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.24 4.29 0.00 2.83 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.84 3.94 0.00 1.81 1.64 0.91 0.69 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 47 T 7.54 3.75 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 1.09 0.00 0.00 48 K 7.96 4.10 0.00 1.90 1.83 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.62 1.56 7.81 49 S 8.36 4.03 0.00 3.82 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 50 H 8.65 4.07 0.00 3.21 3.35 0.00 5.64 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.13 4.03 0.00 2.21 1.97 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 2.33 2.60 0.00 52 K 8.06 3.92 0.00 1.95 1.93 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.47 7.81 53 L 8.19 3.90 0.00 1.80 1.62 0.87 0.90 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 54 A 8.03 3.93 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.90 3.96 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.17 3.89 0.00 2.06 2.03 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 2.29 2.30 0.00 57 K 8.36 3.85 0.00 1.81 1.92 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.43 7.81 58 D 7.95 4.33 0.00 2.91 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 59 D 7.99 4.32 0.00 3.04 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.12 4.04 0.00 1.82 1.72 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 61 I 7.94 3.74 2.02 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.80 0.90 0.00 0.00 62 V 7.79 3.57 2.24 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 1.08 0.00 0.00 0.99 0.00 0.00 63 S 8.47 4.07 0.00 3.90 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 64 N 8.58 4.30 0.00 2.83 2.99 0.00 0.00 6.86 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.38 4.11 0.00 4.00 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 66 K 8.29 4.02 0.00 1.85 1.86 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.64 7.81 67 L 8.20 3.99 0.00 1.94 1.78 0.94 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 68 F 8.04 4.07 0.00 3.09 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 69 R 8.19 3.99 0.00 2.02 2.20 0.00 3.19 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 70 Q 8.36 3.91 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.56 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 71 I 7.79 3.78 1.81 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.70 0.79 0.00 0.00 72 G 7.49 3.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.59 4.20 0.00 1.61 1.71 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 74 T 7.36 4.13 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 1.19 0.00 0.00