NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4571 8.3049 120.3570 55.3706 34.6596 175.2481 1 K 4.0130 7.8520 120.8212 54.6446 33.4205 176.2566 2 S 4.6631 9.1565 118.7666 56.9293 67.0274 173.3814 3 P 4.3176 0.0000 0.0000 65.7086 30.8408 178.9355 4 E 4.0328 8.1458 117.2189 59.1675 29.3644 178.6743 5 E 3.9962 8.2146 119.3926 59.3978 29.6458 178.9768 6 L 4.1522 8.1005 118.8693 57.2896 41.6035 179.4566 7 K 4.0774 8.1639 119.9529 59.4003 32.1148 178.6975 8 G 3.8457 7.8006 105.9392 48.1945 0.0000 175.2884 9 I 3.8931 8.0737 122.9532 64.0416 37.2277 178.2624 10 F 4.1880 8.6910 121.4530 61.5119 38.7272 177.0381 11 E 4.0163 8.5908 118.2219 59.0653 28.9930 179.2798 12 K 3.7886 8.0584 118.9956 59.8882 32.5145 178.3332 13 Y 4.0078 7.9814 116.3613 60.3923 37.3182 177.8621 14 A 4.0326 7.8879 121.7542 54.5098 18.1684 178.6024 15 A 4.3822 7.1507 117.2880 52.4231 18.5810 178.7346 16 K 4.0806 7.6721 118.2309 58.5562 32.4236 177.3115 17 E 4.6975 8.4986 114.3654 55.1863 33.4300 177.2095 18 G 3.6298 8.5737 107.4961 46.2408 0.0000 173.8353 19 D 4.3910 8.5157 122.8836 53.7875 41.7483 175.2995 20 P 4.6398 0.0000 0.0000 63.5080 31.9740 176.8410 21 N 4.9437 8.8685 115.8442 53.3710 39.2650 174.4053 22 N 5.2406 7.7094 114.5513 51.2498 42.3062 173.5369 23 L 4.7053 8.3951 120.7371 53.3604 43.0661 177.7824 24 S 4.5222 9.0241 120.0319 57.3099 65.5820 175.1232 25 K 3.9377 8.4183 121.5162 59.5553 31.8503 178.1140 26 E 3.9293 8.1053 119.2775 59.2975 29.5736 178.4984 27 E 4.0792 8.1763 118.7377 59.0049 29.4977 178.9854 28 L 3.9084 8.3111 121.0627 57.8219 42.0697 178.7919 29 K 3.8568 8.2214 119.7903 59.5863 32.1218 178.5441 30 L 3.9098 7.8909 120.5000 57.7569 41.9376 178.6325 31 L 2.4474 7.8146 120.4556 57.7268 42.0806 179.0887 32 L 4.0998 7.9005 118.9004 57.8431 41.3782 179.1609 33 Q 3.9642 8.0058 118.5639 59.4153 28.9805 178.3676 34 T 4.0573 7.5819 115.6849 66.3103 68.8108 176.1639 35 E 4.0870 8.1002 118.5275 56.6644 31.6191 176.5938 36 F 4.9813 7.7700 116.3295 55.7002 39.5255 174.3256 37 P 4.4551 0.0000 0.0000 64.9852 31.8312 177.7747 38 S 4.5967 7.9613 112.6022 58.0724 63.7435 175.6396 39 L 3.8914 8.2183 124.9313 58.4898 41.9028 178.8743 40 L 4.1449 7.8589 116.2922 56.4798 41.8079 177.8104 41 K 4.2388 7.5313 116.5121 57.7021 33.1115 177.8705 42 G 3.8094 7.6486 107.6938 46.6349 0.0000 173.8123 43 M 4.5051 7.7412 119.2650 54.1511 33.8099 175.9006 44 S 4.8706 8.0789 115.8698 56.7839 66.9541 175.4928 45 T 3.8575 8.3264 120.7081 66.7542 68.2660 176.6586 46 L 4.0303 7.9232 121.7586 58.3886 42.1224 178.6646 47 D 4.3911 8.2083 118.8200 57.3802 40.6843 178.3964 48 E 4.0026 8.3022 119.9242 58.8524 29.5160 178.5867 49 L 3.9236 8.5257 121.0784 57.9988 42.1076 178.5685 50 F 3.9328 8.4939 120.7687 61.5194 39.0767 176.9799 51 E 3.9583 8.2821 116.9223 59.3316 29.2940 178.6102 52 E 4.0275 8.1879 118.7663 59.2158 29.7433 178.5921 53 L 4.1234 7.8433 118.4663 56.7159 43.3056 178.1011 54 D 4.4424 7.6904 120.0075 52.7386 38.0577 176.5428 55 K 3.9387 8.1837 121.8204 58.5786 31.3053 178.0521 56 N 4.5601 8.3523 113.9068 52.1676 37.9334 175.7429 57 G 3.9746 7.9713 106.8138 46.9054 0.0000 173.9056 58 D 4.5840 7.9548 115.7127 52.7364 39.4950 177.2211 59 G 4.1707 8.9728 107.3846 46.1244 0.0000 173.5336 60 E 4.8546 8.4361 117.5716 54.2978 33.2727 175.1805 61 V 4.3026 8.4369 122.1003 61.4371 32.5466 176.5655 62 S 4.6024 8.8638 123.2717 57.3991 65.3813 174.8175 63 F 4.2362 8.6828 123.1286 61.1943 39.4092 176.1464 64 E 3.9780 8.2496 118.6277 59.4490 29.6859 178.5876 65 E 3.9653 8.1045 118.2201 59.2612 29.4521 179.1132 66 F 4.2448 8.4977 120.7266 60.9905 39.2158 177.0690 67 Q 3.8004 7.7029 117.4550 58.6284 28.1243 178.8205 68 V 3.5146 7.2867 118.3422 65.5507 31.7185 177.4792 69 L 3.9440 7.5767 120.3998 57.7226 41.5367 178.9448 70 V 3.3130 7.1476 117.8223 65.7617 31.1828 177.9863 71 K 4.0095 7.4565 117.5492 59.2331 31.8823 179.0843 72 K 4.1894 7.8630 118.1724 57.6941 32.1535 177.8601 73 I 3.6781 6.8107 119.5631 61.0520 36.8024 175.1176 74 S 3.5870 8.2042 118.7301 58.2132 62.9650 174.5576 75 Q 3.9359 8.1389 124.2834 55.5936 28.3231 173.6292 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 0 M 8.30 4.46 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.60 0.00 1 K 7.85 4.01 0.00 2.07 1.89 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.73 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.63 1.84 7.81 2 S 9.16 4.66 0.00 4.20 4.01 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 0.00 0.00 0.00 3 P 0.00 4.32 0.00 2.19 2.14 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 4 E 8.15 4.03 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 5 E 8.21 4.00 0.00 2.11 2.15 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 2.37 2.40 0.00 6 L 8.10 4.15 0.00 1.95 1.79 0.94 0.93 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 7 K 8.16 4.08 0.00 1.88 2.00 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.59 1.49 7.81 8 G 7.80 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 9 I 8.07 3.89 2.24 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.76 1.14 0.00 0.00 10 F 8.69 4.19 0.00 3.22 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 11 E 8.59 4.02 0.00 2.27 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 2.53 2.73 0.00 12 K 8.06 3.79 0.00 1.61 1.81 0.00 1.59 0.00 0.00 1.37 0.00 0.00 2.27 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.53 1.13 7.81 13 Y 7.98 4.01 0.00 3.02 2.97 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 14 A 7.89 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.15 4.38 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 16 K 7.67 4.08 0.00 1.93 1.86 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.72 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.62 1.52 7.81 17 E 8.50 4.70 0.00 1.94 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 2.34 2.23 0.00 18 G 8.57 3.63 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 0.00 0.00 0.00 19 D 8.52 4.39 0.00 2.70 2.57 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 20 P 0.00 4.64 0.00 2.25 2.26 0.00 3.90 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 21 N 8.87 4.94 0.00 2.84 2.98 0.00 0.00 6.72 8.03 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 22 N 7.71 5.24 0.00 2.70 2.73 0.00 0.00 6.87 7.52 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 23 L 8.40 4.71 0.00 1.69 1.61 1.03 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 24 S 9.02 4.52 0.00 4.03 4.02 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.42 3.94 0.00 1.85 1.85 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.50 7.81 26 E 8.11 3.93 0.00 2.08 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 0.00 2.39 2.41 0.00 27 E 8.18 4.08 0.00 2.19 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 0.00 2.34 2.31 0.00 28 L 8.31 3.91 0.00 1.75 1.81 0.94 0.49 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 29 K 8.22 3.86 0.00 1.85 2.05 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.45 7.81 30 L 7.89 3.91 0.00 1.86 1.85 0.99 0.73 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 31 L 7.81 2.45 0.00 1.49 1.64 1.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.90 4.10 0.00 1.73 1.74 0.92 0.64 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 33 Q 8.01 3.96 0.00 2.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.98 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 34 T 7.58 4.06 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 1.28 0.00 0.00 35 E 8.10 4.09 0.00 1.30 1.14 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 2.14 2.33 0.00 36 F 7.77 4.98 0.00 3.14 2.92 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 37 P 0.00 4.46 0.00 2.18 2.37 0.00 3.72 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 38 S 7.96 4.60 0.00 4.04 4.15 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 39 L 8.22 3.89 0.00 1.82 1.82 0.88 0.27 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 40 L 7.86 4.14 0.00 1.69 1.72 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.53 4.24 0.00 1.95 1.93 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.39 7.81 42 G 7.65 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 43 M 7.74 4.51 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.51 0.00 44 S 8.08 4.87 0.00 4.02 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 45 T 8.33 3.86 4.25 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 1.22 0.00 0.00 46 L 7.92 4.03 0.00 1.77 1.68 0.99 1.26 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 47 D 8.21 4.39 0.00 2.91 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 48 E 8.30 4.00 0.00 2.12 2.08 0.00 0.00 0.00 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 2.36 0.00 49 L 8.53 3.92 0.00 1.84 1.87 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.49 3.93 0.00 3.24 3.22 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 51 E 8.28 3.96 0.00 2.18 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 2.46 2.51 0.00 52 E 8.19 4.03 0.00 1.99 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 2.27 2.32 0.00 53 L 7.84 4.12 0.00 1.46 1.55 0.91 1.24 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 54 D 7.69 4.44 0.00 2.04 2.34 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 55 K 8.18 3.94 0.00 1.79 1.83 0.00 1.72 0.00 0.00 1.91 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.57 1.48 7.81 56 N 8.35 4.56 0.00 2.86 3.03 0.00 0.00 6.21 7.97 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 57 G 7.97 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 58 D 7.95 4.58 0.00 2.82 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 59 G 8.97 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 0.00 0.00 0.00 0.00 60 E 8.44 4.85 0.00 2.08 1.87 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 2.44 2.40 0.00 61 V 8.44 4.30 2.16 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 0.92 0.00 0.00 0.63 0.00 0.00 62 S 8.86 4.60 0.00 4.16 4.03 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 63 F 8.68 4.24 0.00 2.94 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 64 E 8.25 3.98 0.00 2.11 1.94 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 2.35 2.38 0.00 65 E 8.10 3.97 0.00 2.30 2.08 0.00 0.00 0.00 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 2.30 0.00 66 F 8.50 4.24 0.00 3.09 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 7.70 3.80 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 68 V 7.29 3.51 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.85 0.00 0.00 69 L 7.58 3.94 0.00 1.61 1.21 0.86 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.15 3.31 1.98 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 0.92 0.00 0.00 0.51 0.00 0.00 71 K 7.46 4.01 0.00 1.81 1.80 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.55 7.81 72 K 7.86 4.19 0.00 1.77 1.82 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.57 7.81 73 I 6.81 3.68 1.93 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.55 0.90 0.00 0.00 74 S 8.20 3.59 0.00 3.96 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 75 Q 8.14 3.94 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.68 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00