NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4107 0.0000 0.0000 61.9099 33.3394 176.7681 3 L 4.0583 8.4757 118.6130 54.9903 42.6115 174.8189 4 G 3.6325 7.9643 104.1151 44.2879 0.0000 172.6588 5 S 4.3248 8.4815 116.7057 58.3375 64.7880 174.8878 6 S 4.0525 8.4586 114.8165 61.3557 62.0893 175.7294 7 K 3.9932 7.9838 121.9470 59.6890 32.0583 178.3382 8 M 3.9634 8.0835 118.5604 58.6369 32.1207 178.3260 9 S 4.0936 8.2518 115.4354 61.7149 62.9315 176.3916 10 D 4.3356 8.0872 121.4965 57.3067 40.5609 179.0902 11 V 3.3960 7.7498 118.5602 65.9292 31.3831 178.1960 12 K 3.8523 7.9919 118.2240 59.6208 31.9410 178.9530 13 C 4.1202 8.2371 118.9841 62.7155 31.4195 175.7241 14 T 3.9157 8.2335 118.0129 66.5828 67.9488 176.8020 15 S 4.1716 8.2189 116.2656 61.1898 63.0067 176.8806 16 V 3.6420 7.4513 122.1476 65.9198 31.3349 178.2231 17 V 3.6170 7.7394 117.9025 65.6896 31.3585 177.6120 18 L 3.9517 8.3015 120.5760 58.2744 41.9796 178.7615 19 L 4.0450 8.1631 120.2359 58.3733 41.8737 179.1367 20 S 4.2266 8.0686 115.0524 61.4277 62.4932 176.8573 21 V 3.6081 7.7257 120.2908 65.8870 31.5937 177.6879 22 L 4.2070 8.0878 118.7759 58.0071 41.4467 179.3615 23 Q 3.7032 8.4235 119.4103 59.1485 28.8086 177.9957 24 Q 3.9953 8.2557 119.5736 58.2439 28.9885 177.1471 25 L 4.4725 7.4588 118.3816 53.2768 42.7756 176.5391 26 R 3.6851 7.8567 116.6285 57.4490 27.7349 177.4204 27 V 3.9702 7.2645 109.5599 62.5836 32.6696 178.7868 28 E 3.2581 7.6877 118.8539 58.9171 29.2080 177.8785 29 S 3.9347 7.9378 112.2674 61.8688 62.4786 175.6278 30 S 4.2962 7.8268 120.4212 58.3738 61.7603 174.5642 31 S 4.4117 8.5402 126.1813 61.1659 62.5754 176.4462 32 K 3.9848 8.0171 120.9056 59.4270 31.9733 178.8319 33 L 3.9794 7.9351 119.9506 58.0413 42.0851 178.6312 34 W 4.3487 8.8418 128.4888 60.4665 30.6077 177.7761 35 A 3.8337 8.0263 120.3471 55.2824 17.8483 179.6832 36 Q 3.9285 7.8691 116.5045 59.0330 28.6835 178.8709 37 C 3.9901 7.7852 117.8923 62.6982 28.1856 176.1126 38 V 3.1678 7.0605 119.7385 65.9069 30.9083 177.7910 39 Q 3.8867 7.9138 119.0812 59.0522 28.8781 178.2050 40 L 3.8951 7.8667 119.9151 58.1500 41.7705 178.8681 41 H 4.0384 8.4855 118.4696 59.5188 29.5849 177.0171 42 N 4.3481 8.5786 118.5684 56.3500 38.1469 177.2429 43 D 4.3762 8.1326 119.6884 57.0640 41.2493 178.6499 44 I 3.7983 7.6840 120.6520 64.3682 36.9272 178.4693 45 L 3.9876 7.4878 117.9106 56.9332 41.4755 178.5244 46 L 4.3917 7.3333 115.9496 53.4992 42.4883 176.7899 47 A 4.2855 7.0085 121.7458 51.7378 18.9723 177.1694 48 K 4.2799 8.5538 121.2044 57.1823 33.9537 176.6438 49 D 4.8038 7.6530 117.5243 53.0128 43.5725 176.9652 50 T 3.8760 8.4458 120.0505 65.2459 67.5754 176.4993 51 T 4.1487 8.1216 118.1072 66.3695 68.6120 176.4455 52 E 3.9839 8.3202 120.7982 58.8551 29.6489 178.4836 53 A 3.9752 7.6959 120.8802 55.3006 18.5093 179.5601 54 F 4.0605 7.9647 116.0896 60.7341 39.0091 177.8417 55 E 4.0320 8.2273 117.6859 59.5104 29.2659 179.6310 56 K 4.0274 8.0939 118.5073 59.5738 32.0574 179.1504 57 M 4.0237 8.2813 118.8415 58.3116 32.1761 178.5330 58 V 3.6377 7.8112 118.7505 66.0654 31.5105 178.2477 59 S 4.1358 7.6963 113.3050 61.4568 62.9608 176.1848 60 L 4.0835 8.1272 123.1818 58.0882 41.8864 178.7862 61 L 4.0540 8.5086 120.9628 57.9482 42.0841 178.9711 62 S 4.1893 8.0751 114.2233 61.2116 62.7581 176.8461 63 V 3.5800 7.6662 121.6219 65.7350 31.2229 177.7247 64 L 3.9838 7.8796 119.5917 58.2952 41.9439 178.7902 65 L 4.0020 7.9501 118.9166 57.7099 41.2553 179.5204 66 S 4.0983 7.7910 112.2202 61.7191 62.4468 175.8590 67 M 4.2469 7.7226 119.7934 58.1690 31.7781 178.6602 68 Q 4.0660 8.2395 117.9950 57.8596 29.8464 176.4986 69 G 4.0785 7.4559 108.3110 45.6789 0.0000 174.2787 70 A 3.8962 8.4661 125.9041 55.1872 19.1509 179.8373 71 V 3.5875 8.1450 114.7378 66.4357 31.0260 177.8035 72 D 4.3032 7.9408 117.9217 57.4476 40.6129 178.8979 73 I 3.8351 7.6396 111.0430 63.3627 37.8801 177.2202 74 N 4.4688 8.2188 120.1196 56.5449 38.7680 176.4102 75 R 4.1454 7.7969 114.6137 57.4208 29.6152 177.1860 76 L 4.3164 7.3369 120.7897 57.0201 43.5332 177.2681 77 C 4.6110 7.7619 118.0033 58.5644 25.7409 173.3942 78 E 4.2320 7.6014 122.4069 56.7500 29.1441 175.3539 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 4.41 0.00 2.05 2.15 0.00 3.63 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.11 0.00 3 L 8.48 4.06 0.00 1.69 1.69 0.90 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 4 G 7.96 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 5 S 8.48 4.32 0.00 4.07 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.46 4.05 0.00 3.92 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.98 3.99 0.00 1.97 1.85 0.00 2.04 0.00 0.00 1.90 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.69 1.75 7.81 8 M 8.08 3.96 0.00 2.28 2.02 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.59 0.00 9 S 8.25 4.09 0.00 4.05 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 10 D 8.09 4.34 0.00 2.89 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 11 V 7.75 3.40 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.35 0.00 0.00 12 K 7.99 3.85 0.00 1.91 1.77 0.00 1.66 0.00 0.00 1.51 0.00 0.00 3.13 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.54 7.81 13 C 8.24 4.12 0.00 3.05 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 14 T 8.23 3.92 4.35 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 1.22 0.00 0.00 15 S 8.22 4.17 0.00 4.00 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 16 V 7.45 3.64 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 1.02 0.00 0.00 0.99 0.00 0.00 17 V 7.74 3.62 2.23 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 0.96 0.00 0.00 0.94 0.00 0.00 18 L 8.30 3.95 0.00 1.89 1.82 0.95 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.16 4.04 0.00 1.98 1.66 0.72 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.07 4.23 0.00 4.17 3.93 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 0.00 0.00 0.00 21 V 7.73 3.61 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 0.86 0.00 0.00 1.02 0.00 0.00 22 L 8.09 4.21 0.00 2.18 2.03 0.99 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 8.42 3.70 0.00 2.15 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 24 Q 8.26 4.00 0.00 2.19 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.01 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 25 L 7.46 4.47 0.00 1.92 1.66 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 26 R 7.86 3.69 0.00 1.85 1.89 0.00 3.12 0.00 0.00 3.18 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 27 V 7.26 3.97 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.21 0.00 0.00 28 E 7.69 3.26 0.00 1.52 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 29 S 7.94 3.93 0.00 3.76 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 30 S 7.83 4.30 0.00 4.01 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.54 4.41 0.00 3.95 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 32 K 8.02 3.98 0.00 1.87 1.87 0.00 1.60 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.58 7.81 33 L 7.94 3.98 0.00 1.80 1.89 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 34 W 8.84 4.35 0.00 3.44 3.12 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 0.00 0.00 0.00 35 A 8.03 3.83 1.41 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 0.00 0.00 36 Q 7.87 3.93 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 37 C 7.79 3.99 0.00 2.66 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.06 3.17 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 0.77 0.00 0.00 0.07 0.00 0.00 39 Q 7.91 3.89 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 40 L 7.87 3.90 0.00 1.84 1.65 0.89 0.82 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 41 H 8.49 4.04 0.00 3.04 3.41 0.00 5.58 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.58 4.35 0.00 2.95 2.81 0.00 0.00 7.04 8.09 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 43 D 8.13 4.38 0.00 2.73 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 44 I 7.68 3.80 1.89 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.20 0.77 0.00 0.00 45 L 7.49 3.99 0.00 1.61 1.66 0.79 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.33 4.39 0.00 1.53 1.67 0.90 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.01 4.29 1.33 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 0.00 0.00 0.00 48 K 8.55 4.28 0.00 1.67 1.80 0.00 1.64 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.44 7.81 49 D 7.65 4.80 0.00 2.82 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.45 3.88 4.29 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 1.32 0.00 0.00 51 T 8.12 4.15 4.57 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 1.27 0.00 0.00 52 E 8.32 3.98 0.00 2.03 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 2.35 2.36 0.00 53 A 7.70 3.98 1.16 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 0.00 0.00 0.00 54 F 7.96 4.06 0.00 3.23 3.09 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 55 E 8.23 4.03 0.00 2.22 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 2.37 2.60 0.00 56 K 8.09 4.03 0.00 1.90 1.82 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.56 7.81 57 M 8.28 4.02 0.00 2.30 2.03 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.62 0.00 58 V 7.81 3.64 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 1.00 0.00 0.00 1.04 0.00 0.00 59 S 7.70 4.14 0.00 4.05 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 4.08 0.00 1.73 1.65 0.92 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.51 4.05 0.00 1.82 1.74 0.95 0.94 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 62 S 8.08 4.19 0.00 4.14 4.28 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 63 V 7.67 3.58 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 1.00 0.00 0.00 64 L 7.88 3.98 0.00 1.83 1.83 0.95 0.68 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 65 L 7.95 4.00 0.00 1.77 1.72 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 66 S 7.79 4.10 0.00 4.02 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 67 M 7.72 4.25 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.60 0.00 68 Q 8.24 4.07 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.50 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 69 G 7.46 4.08 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 0.00 0.00 0.00 70 A 8.47 3.90 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.15 3.59 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 1.06 0.00 0.00 0.93 0.00 0.00 72 D 7.94 4.30 0.00 3.02 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 73 I 7.64 3.84 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 1.53 0.53 0.94 0.00 0.00 74 N 8.22 4.47 0.00 3.21 2.83 0.00 0.00 6.77 7.30 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 75 R 7.80 4.15 0.00 2.04 2.03 0.00 3.11 0.00 0.00 3.15 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.63 0.00 76 L 7.34 4.32 0.00 1.92 1.84 0.93 0.87 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 77 C 7.76 4.61 0.00 3.15 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 7.60 4.23 0.00 2.02 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 2.21 2.30 0.00