NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3974 8.3049 120.3458 55.1408 33.1192 175.2516 2 D 4.4168 8.3560 126.4048 52.9839 42.0808 175.7558 3 S 4.1054 9.6186 117.4013 62.0105 63.1740 176.2969 4 N 4.7350 8.0361 119.5976 55.9034 38.2747 177.4363 5 T 3.9176 7.7915 117.3350 66.3523 68.4341 176.9757 6 V 3.6452 7.7293 120.0277 66.1239 31.7134 178.1935 7 S 4.7083 8.1383 115.3278 60.9951 62.8422 176.5873 8 S 4.1642 8.3972 119.0796 61.3940 62.4872 176.3862 9 F 4.1922 8.3685 123.3957 61.3057 39.1260 177.1677 10 Q 3.9096 8.4222 117.8305 58.9010 28.5485 178.9877 11 V 3.6567 7.9411 119.1269 66.3412 31.5517 177.8259 12 D 4.4965 8.1745 118.4857 57.4692 40.5567 178.7138 13 C 3.9921 8.0427 117.5731 62.6872 28.1219 175.9430 14 F 4.3021 8.3167 122.2353 61.3520 38.9827 177.2341 15 L 3.7358 8.4925 119.0912 57.2590 41.2721 179.2148 16 W 3.8504 8.4437 128.7357 60.6877 30.6055 177.4228 17 H 4.0588 8.3547 118.1560 59.2381 29.2520 177.3925 18 V 3.2904 7.3218 119.9256 65.9555 31.3406 178.2470 19 R 3.9554 7.7665 117.8603 59.0012 29.7660 178.9021 20 K 3.5118 7.3920 119.5274 59.4706 32.1602 178.9195 21 Q 3.8728 7.7475 118.3094 58.6564 28.5948 178.8739 22 V 3.4737 7.6030 119.4431 65.9850 31.6048 178.2837 23 V 3.5771 7.8453 117.9395 66.1374 31.1594 177.7033 24 D 4.4570 8.0824 117.3801 56.5906 40.6715 177.6156 25 Q 4.2785 7.5293 116.4793 54.7952 29.1114 175.1897 26 E 3.7398 7.9658 118.3986 57.8949 27.2916 174.9872 27 L 4.4387 7.8078 116.3217 54.3298 42.7322 177.0369 28 G 3.6964 7.6084 108.0835 43.9622 0.0000 174.0890 29 D 4.7296 8.0536 122.0654 51.5628 42.8874 177.2289 30 A 4.0068 8.3447 119.9227 55.2394 18.3406 178.0697 31 P 4.2248 0.0000 0.0000 65.4368 31.4191 178.6906 32 F 4.0551 8.5215 119.8962 61.0661 39.2755 176.9895 33 L 4.0032 8.2550 120.1187 58.1304 41.8838 178.3745 34 D 4.3393 8.4675 118.3846 57.5187 41.1003 178.5048 35 R 3.8878 8.1262 118.6039 58.9522 29.9988 178.7800 36 L 3.9045 7.7322 120.1764 58.1808 41.9564 179.3240 37 R 4.0449 8.1644 117.9463 59.3668 30.0997 179.2546 38 R 3.9607 8.1539 117.8383 59.5551 30.0441 178.9942 39 D 4.4192 8.4313 118.6847 57.1569 40.7610 178.6425 40 Q 3.2140 8.2918 120.3436 58.8431 29.0509 178.4251 41 K 3.8966 7.7403 119.6690 59.4916 32.0442 179.2905 42 S 4.0917 7.9860 113.2827 61.3310 62.2270 176.2518 43 L 4.0865 8.0785 121.9113 57.8575 41.3301 179.6790 44 R 4.0276 7.9531 118.1966 59.1373 29.9637 179.3959 45 G 3.5810 8.0662 105.5365 47.8747 0.0000 176.0779 46 R 4.0164 8.3612 120.8032 58.7758 30.0892 179.4272 47 G 3.2620 8.5032 106.0752 47.5414 0.0000 175.7429 48 S 4.0161 7.8777 114.5786 61.4189 62.5344 176.0088 49 T 3.9535 7.6029 116.9026 66.7693 68.3324 176.3613 50 L 4.1103 7.8859 119.2070 55.1057 41.6936 177.6385 51 G 3.7852 7.6801 106.2709 46.3419 0.0000 172.9961 52 L 4.5480 7.5360 118.7703 52.4486 43.4774 176.6618 53 N 4.5088 8.5878 121.7735 53.5973 40.2065 175.9959 54 I 3.9212 8.4392 128.7289 64.5129 37.2383 178.3240 55 E 3.9458 8.3212 118.9295 59.1255 29.3495 179.0553 56 A 4.0328 8.4437 120.7151 55.1784 18.4588 179.5445 57 A 4.0215 8.0763 119.3252 55.5970 18.4289 179.8891 58 T 3.8698 8.1524 114.4160 67.2877 68.4032 176.5660 59 H 4.1849 7.9367 118.0120 58.7957 28.7079 178.1224 60 V 3.8563 7.9673 120.3457 65.7654 31.3141 178.2549 61 G 3.6681 8.4900 106.0872 47.5578 0.0000 175.3255 62 K 2.4800 7.6743 121.8927 58.9546 32.0615 178.8028 63 Q 3.8846 7.5668 118.0596 58.9309 28.5550 178.9238 64 I 3.6736 7.7342 120.7706 64.4740 37.0861 178.7453 65 V 3.6768 7.8768 119.1005 65.8747 31.1230 177.8792 66 E 3.9457 8.1855 118.0225 59.3286 29.5920 179.0319 67 K 4.0779 8.0824 118.4679 59.6380 31.8749 179.4814 68 I 3.8979 7.3188 118.6436 64.2071 37.2067 178.0530 69 L 4.1903 8.0349 117.9704 56.1698 41.4955 177.6407 70 K 4.2550 7.5008 123.4241 56.6518 32.3307 175.9218 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 8.30 4.40 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.55 0.00 2 D 8.36 4.42 0.00 2.83 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 3 S 9.62 4.11 0.00 3.89 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 N 8.04 4.73 0.00 2.86 2.87 0.00 0.00 7.63 7.05 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 5 T 7.79 3.92 4.40 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 1.20 0.00 0.00 6 V 7.73 3.65 2.27 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 1.22 0.00 0.00 1.00 0.00 0.00 7 S 8.14 4.71 0.00 4.13 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 0.00 8 S 8.40 4.16 0.00 4.12 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 9 F 8.37 4.19 0.00 3.15 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 10 Q 8.42 3.91 0.00 2.31 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.58 2.65 0.00 11 V 7.94 3.66 2.25 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 1.04 0.00 0.00 1.03 0.00 0.00 12 D 8.17 4.50 0.00 2.87 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.04 3.99 0.00 2.91 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 14 F 8.32 4.30 0.00 3.27 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 15 L 8.49 3.74 0.00 1.67 1.65 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 16 W 8.44 3.85 0.00 3.43 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 H 8.35 4.06 0.00 3.44 3.43 0.00 5.84 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 18 V 7.32 3.29 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 0.84 0.00 0.00 0.29 0.00 0.00 19 R 7.77 3.96 0.00 1.55 1.53 0.00 3.05 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 20 K 7.39 3.51 0.00 0.79 1.33 0.00 1.38 0.00 0.00 1.48 0.00 0.00 3.16 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.33 7.81 21 Q 7.75 3.87 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 22 V 7.60 3.47 2.25 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 0.58 0.00 0.00 0.93 0.00 0.00 23 V 7.85 3.58 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 0.97 0.00 0.00 1.09 0.00 0.00 24 D 8.08 4.46 0.00 2.77 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 25 Q 7.53 4.28 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 26 E 7.97 3.74 0.00 2.09 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 2.22 2.23 0.00 27 L 7.81 4.44 0.00 1.60 1.48 0.82 0.72 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 28 G 7.61 3.70 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 0.00 0.00 0.00 29 D 8.05 4.73 0.00 2.95 2.81 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 30 A 8.34 4.01 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.22 0.00 2.22 2.14 0.00 3.88 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 32 F 8.52 4.06 0.00 3.18 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 33 L 8.26 4.00 0.00 2.11 1.78 0.97 0.96 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 34 D 8.47 4.34 0.00 2.82 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 35 R 8.13 3.89 0.00 1.81 1.83 0.00 3.12 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 36 L 7.73 3.90 0.00 1.57 1.77 -0.08 0.60 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 37 R 8.16 4.04 0.00 2.08 2.00 0.00 3.22 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.93 0.00 38 R 8.15 3.96 0.00 1.94 1.99 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 39 D 8.43 4.42 0.00 2.97 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 40 Q 8.29 3.21 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.11 1.71 0.00 41 K 7.74 3.90 0.00 1.90 1.82 0.00 1.72 0.00 0.00 1.53 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.62 1.58 7.81 42 S 7.99 4.09 0.00 3.92 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 43 L 8.08 4.09 0.00 1.67 1.52 0.66 0.89 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 44 R 7.95 4.03 0.00 1.92 1.93 0.00 3.21 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.75 0.00 45 G 8.07 3.58 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 0.00 0.00 0.00 46 R 8.36 4.02 0.00 2.21 1.96 0.00 3.20 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 47 G 8.50 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 0.00 0.00 0.00 48 S 7.88 4.02 0.00 4.03 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 49 T 7.60 3.95 4.30 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 1.16 0.00 0.00 50 L 7.89 4.11 0.00 1.23 1.51 0.47 1.07 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 51 G 7.68 3.79 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 0.00 0.00 0.00 52 L 7.54 4.55 0.00 1.32 1.65 0.82 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.59 4.51 0.00 2.78 2.73 0.00 0.00 7.23 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 54 I 8.44 3.92 1.89 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 1.85 0.63 0.84 0.00 0.00 55 E 8.32 3.95 0.00 2.14 2.04 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 2.42 2.35 0.00 56 A 8.44 4.03 1.44 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 0.00 0.00 57 A 8.08 4.02 1.51 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 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.15 3.87 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 1.29 0.00 0.00 59 H 7.94 4.18 0.00 3.28 3.31 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.97 3.86 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 1.06 0.00 0.00 1.02 0.00 0.00 61 G 8.49 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.67 2.48 0.00 0.92 1.66 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.16 0.90 7.81 63 Q 7.57 3.88 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 64 I 7.73 3.67 1.99 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 1.40 1.26 0.92 0.00 0.00 65 V 7.88 3.68 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 1.29 0.00 0.00 1.14 0.00 0.00 66 E 8.19 3.95 0.00 1.94 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 2.39 0.00 67 K 8.08 4.08 0.00 1.98 1.86 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.62 7.81 68 I 7.32 3.90 2.02 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 1.53 0.65 0.93 0.00 0.00 69 L 8.03 4.19 0.00 1.76 1.74 0.98 1.21 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 70 K 7.50 4.26 0.00 1.98 1.81 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.45 7.81