NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4341 8.1627 118.3246 55.2473 33.4182 173.5260 2 Q 4.7102 8.2243 121.1291 53.3000 31.0451 172.7796 3 I 4.6271 8.9337 119.3013 59.1990 42.5044 173.1287 4 F 5.4142 8.9642 120.7512 55.6509 42.4584 174.7513 5 V 4.8746 9.1772 122.3268 61.0908 34.2391 174.3470 6 K 5.2542 9.0600 127.2535 54.6222 35.7574 176.5395 7 T 4.6613 8.4547 114.4190 61.2615 69.5690 175.0768 8 L 4.2887 8.3346 119.8012 56.1561 41.5571 177.9007 9 T 4.2879 7.7333 115.0667 63.1740 68.7895 175.2874 10 G 4.0514 8.2526 111.0878 44.9371 0.0000 174.4674 11 K 3.8516 7.8354 118.2473 57.6387 32.9585 175.7385 12 T 5.0858 8.5764 120.5598 61.7706 71.5272 173.3939 13 I 4.5297 9.0927 126.6641 59.9043 39.8549 174.5396 14 T 5.0139 8.6358 123.8114 62.1249 69.9648 174.1315 15 L 4.8182 8.6496 125.7659 52.7956 45.7124 174.8763 16 E 4.8888 8.6115 122.3931 54.9554 30.9674 175.2019 17 V 4.7204 8.8347 119.6140 60.1244 36.5248 174.0491 18 E 4.7313 9.0784 119.3913 54.0437 32.8696 176.0527 19 P 4.1361 0.0000 0.0000 65.5752 31.5460 178.0539 20 S 4.5405 7.8608 109.7248 58.4072 63.8262 173.9336 21 D 4.4506 8.1596 123.8231 54.4068 41.2777 176.4063 22 T 4.6215 8.2553 114.1973 61.3018 71.1399 175.7218 23 I 3.7335 8.5809 122.7487 64.4093 37.0142 178.4028 24 E 3.9214 8.4524 120.3870 59.3703 29.4666 178.5018 25 N 4.3065 8.2360 116.4543 56.4461 38.6092 177.5151 26 V 3.5803 7.5599 118.9596 66.0262 31.6603 178.3040 27 K 4.3977 8.5734 119.3339 58.7311 31.7207 179.2687 28 A 4.0129 8.0584 121.3891 55.0399 18.3191 179.8372 29 K 4.1086 8.1467 117.0757 59.6336 32.0726 179.6703 30 I 3.7353 7.9449 120.2273 64.3242 36.9603 178.2576 31 Q 4.0549 8.1792 120.4539 59.2892 28.6723 177.9091 32 D 4.3867 8.1860 119.2893 57.2680 40.9523 178.4483 33 K 4.2954 8.0071 117.1803 57.5868 32.5319 177.4110 34 E 4.5025 8.2026 115.4552 54.8325 31.5077 176.9868 35 G 3.8566 8.5801 106.6964 45.4577 0.0000 173.3176 36 I 4.1100 7.4403 120.6371 59.1980 37.6993 174.0893 37 P 4.3691 0.0000 0.0000 62.0398 32.0432 175.5659 38 P 4.2711 0.0000 0.0000 65.8760 31.3439 178.1928 39 D 4.4556 8.0473 115.2781 55.2216 39.7350 176.6228 40 Q 4.3695 8.0650 118.4975 56.1007 29.6500 174.5534 41 Q 4.8262 8.0507 118.8877 54.1930 31.0205 174.4407 42 R 4.7368 8.9473 124.5991 54.5195 32.7419 174.2744 43 L 5.2641 8.4781 125.7546 53.2043 44.6093 175.3695 44 I 5.1178 8.8838 123.3291 59.5609 41.2490 174.3072 45 F 5.0587 8.8515 127.3218 57.0638 43.0321 174.3053 46 A 3.4275 8.8683 127.8961 53.1180 15.9280 177.8567 47 G 3.9044 8.3056 106.1185 46.6195 0.0000 174.0137 48 K 4.5423 7.7615 120.1870 54.0993 33.8874 175.6448 49 Q 4.5536 8.6117 123.1601 56.1944 29.1623 175.9444 50 L 3.9206 8.7847 125.0532 54.0585 42.9094 176.1829 51 E 4.5304 9.6785 123.3158 55.1563 31.0183 176.9914 52 D 4.3555 9.1477 124.2627 57.5951 41.0196 178.6613 53 G 3.8473 7.9875 104.1207 46.1846 0.0000 173.7494 54 R 4.3831 7.9764 120.1953 55.7266 31.4200 175.5203 55 T 5.0553 8.4318 110.3191 59.9571 72.3159 175.7157 56 L 4.0450 8.3735 121.6416 58.1086 41.6148 180.1996 57 S 4.2182 8.3550 114.2836 61.3608 62.6343 176.0052 58 D 4.3035 7.9715 122.0023 57.4045 40.6914 177.7443 59 Y 4.4338 7.4245 112.9235 57.3287 38.1218 175.0637 60 N 4.2752 7.9789 117.3509 54.5403 37.8971 173.5439 61 I 3.7901 8.0390 118.0321 59.7444 37.8904 175.3257 62 Q 4.6885 8.0681 123.8233 52.8992 32.0587 174.8320 63 K 4.0527 8.3509 117.4050 58.9556 32.4894 176.8857 64 E 3.7592 9.4657 120.1861 56.7969 28.0793 175.0606 65 S 4.4928 7.7211 115.7143 59.1522 64.2964 173.2992 66 T 5.1893 8.6676 118.5691 62.0978 70.4478 173.8803 67 L 4.9211 9.2936 126.7994 53.8608 44.6115 175.0728 68 H 5.3555 9.2129 118.4617 54.2088 31.2328 173.6472 69 L 5.1117 8.7058 125.1650 53.5640 43.4337 175.8401 70 V 4.6136 8.7055 119.8714 59.0757 35.3158 175.2936 71 L 4.4418 8.5247 123.4610 54.9960 42.3166 176.3777 72 R 4.4838 8.9465 124.8836 54.8239 30.9864 175.8277 73 L 4.5819 8.3763 126.2510 53.0433 43.5335 176.6008 74 R 4.1210 8.4102 119.7874 56.4069 30.6039 176.9455 75 G 3.8689 8.6161 110.3410 46.5355 0.0000 173.4036 76 G 3.9463 8.3781 112.2311 45.6272 0.0000 173.5008 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 4.43 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.64 0.00 2 Q 8.22 4.71 0.00 2.10 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 1.66 2.10 0.00 3 I 8.93 4.63 1.84 0.00 0.00 0.77 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 0.51 0.76 0.00 0.00 4 F 8.96 5.41 0.00 3.04 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 5 V 9.18 4.87 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 0.81 0.00 0.00 0.94 0.00 0.00 6 K 9.06 5.25 0.00 1.69 1.67 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.77 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.35 1.38 7.81 7 T 8.45 4.66 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 1.23 0.00 0.00 8 L 8.33 4.29 0.00 1.65 1.72 0.88 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.73 4.29 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 1.21 0.00 0.00 10 G 8.25 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 0.00 0.00 0.00 11 K 7.84 3.85 0.00 1.73 1.81 0.00 1.62 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.55 1.52 7.81 12 T 8.58 5.09 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 1.28 0.00 0.00 13 I 9.09 4.53 1.91 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 1.39 0.69 0.93 0.00 0.00 14 T 8.64 5.01 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 1.18 0.00 0.00 15 L 8.65 4.82 0.00 1.48 1.46 0.90 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.61 4.89 0.00 1.92 1.80 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 2.17 2.27 0.00 17 V 8.83 4.72 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 0.68 0.00 0.00 0.88 0.00 0.00 18 E 9.08 4.73 0.00 2.03 1.76 0.00 0.00 0.00 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 19 P 0.00 4.14 0.00 2.15 2.09 0.00 3.56 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 2.09 2.06 0.00 20 S 7.86 4.54 0.00 3.96 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 21 D 8.16 4.45 0.00 2.80 2.62 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 22 T 8.26 4.62 4.56 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 1.22 0.00 0.00 23 I 8.58 3.73 2.11 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 1.80 0.95 0.90 0.00 0.00 24 E 8.45 3.92 0.00 2.17 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 2.31 2.40 0.00 25 N 8.24 4.31 0.00 2.98 2.85 0.00 0.00 6.68 6.96 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 26 V 7.56 3.58 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 1.00 0.00 0.00 0.96 0.00 0.00 27 K 8.57 4.40 0.00 1.99 1.85 0.00 1.73 0.00 0.00 1.91 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.61 1.48 7.81 28 A 8.06 4.01 1.38 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 29 K 8.15 4.11 0.00 1.98 1.86 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.58 7.81 30 I 7.94 3.74 2.14 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 1.41 0.79 0.95 0.00 0.00 31 Q 8.18 4.05 0.00 2.24 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 32 D 8.19 4.39 0.00 2.87 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.01 4.30 0.00 1.74 1.87 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.65 7.81 34 E 8.20 4.50 0.00 2.03 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 2.23 2.37 0.00 35 G 8.58 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.44 4.11 1.88 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 1.42 0.61 0.91 0.00 0.00 37 P 0.00 4.37 0.00 2.31 1.98 0.00 3.62 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.12 0.00 38 P 0.00 4.27 0.00 2.17 2.21 0.00 3.60 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 39 D 8.05 4.46 0.00 2.79 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 40 Q 8.07 4.37 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 41 Q 8.05 4.83 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.54 0.00 42 R 8.95 4.74 0.00 1.85 1.92 0.00 3.06 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 43 L 8.48 5.26 0.00 1.58 1.51 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.88 5.12 1.93 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 1.11 0.69 0.92 0.00 0.00 45 F 8.85 5.06 0.00 2.99 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 46 A 8.87 3.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.31 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 48 K 7.76 4.54 0.00 2.03 1.76 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.15 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.40 7.81 49 Q 8.61 4.55 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 50 L 8.78 3.92 0.00 1.30 1.13 0.72 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.68 4.53 0.00 2.07 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 2.35 2.43 0.00 52 D 9.15 4.36 0.00 2.76 2.75 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 53 G 7.99 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 54 R 7.98 4.38 0.00 2.18 1.76 0.00 3.16 0.00 0.00 2.91 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 55 T 8.43 5.06 4.47 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 1.25 0.00 0.00 56 L 8.37 4.04 0.00 1.86 1.71 0.90 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.35 4.22 0.00 4.02 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 58 D 7.97 4.30 0.00 2.74 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.42 4.43 0.00 3.05 3.01 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 60 N 7.98 4.28 0.00 2.98 3.07 0.00 0.00 7.10 7.42 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 61 I 8.04 3.79 1.84 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.08 0.21 0.59 0.00 0.00 62 Q 8.07 4.69 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.91 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 63 K 8.35 4.05 0.00 1.80 1.79 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.48 7.81 64 E 9.47 3.76 0.00 2.08 2.26 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 2.35 2.63 0.00 65 S 7.72 4.49 0.00 3.65 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.67 5.19 4.34 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 1.20 0.00 0.00 67 L 9.29 4.92 0.00 1.57 1.74 0.86 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.21 5.36 0.00 3.05 3.18 0.00 5.57 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.71 5.11 0.00 1.63 1.58 0.93 0.80 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 70 V 8.71 4.61 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 0.70 0.00 0.00 0.97 0.00 0.00 71 L 8.52 4.44 0.00 1.53 1.61 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.95 4.48 0.00 1.78 1.93 0.00 3.25 0.00 0.00 3.34 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 73 L 8.38 4.58 0.00 1.67 1.57 0.92 0.99 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 74 R 8.41 4.12 0.00 1.80 1.87 0.00 3.32 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 75 G 8.62 3.87 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 0.00 76 G 8.38 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