NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.5984 8.3193 115.4168 58.5092 64.5388 173.4453 2 T 4.3477 8.6595 113.3094 60.0462 71.8659 174.5524 3 I 3.7691 8.3518 122.4428 64.4248 37.4614 179.4131 4 E 3.9183 8.1524 119.6808 59.4956 29.5146 178.6833 5 E 4.0167 8.2824 118.4946 59.4644 29.6174 179.6392 6 R 4.0455 8.2783 118.2376 59.0780 30.2032 179.2768 7 V 3.7594 8.4520 118.4709 66.0763 31.6159 178.1752 8 K 4.0069 8.2521 118.3187 59.2981 31.8428 179.1702 9 K 3.9553 8.1061 119.7998 59.6715 32.1462 178.8879 10 I 3.7491 7.7107 119.5386 64.3922 36.9255 178.4361 11 I 3.8467 8.0647 120.7388 64.3615 36.9950 178.5902 12 G 3.6821 8.2063 106.4350 47.8630 0.0000 175.2458 13 E 3.9497 8.0867 120.7276 59.1218 29.7726 178.6270 14 Q 4.1393 8.3545 117.2291 58.5178 28.9102 177.8877 15 L 4.4499 8.2354 117.5199 53.7353 42.2653 176.7774 16 G 3.9392 8.0741 106.9443 46.8213 0.0000 174.0007 17 V 4.4967 7.6233 111.3770 58.3396 34.6580 176.2532 18 K 4.1836 8.3574 122.2863 56.7443 33.5090 177.7696 19 Q 4.0129 8.9529 120.6888 59.2920 28.7127 179.0464 20 E 4.0947 8.1365 113.3695 58.2737 29.6557 177.0361 21 E 4.1859 8.0156 119.5144 57.1496 30.0848 176.7467 22 V 4.0110 7.3310 119.4362 61.9212 30.1851 174.8370 23 T 4.5034 7.5899 114.5461 59.3924 70.9509 176.4799 24 N 4.2919 8.6880 120.2521 56.0019 38.6590 176.3568 25 N 4.5579 7.8943 112.6563 52.7168 38.5728 175.2337 26 A 4.0893 7.6058 123.9862 52.3632 19.0861 176.3239 27 S 4.7109 9.2845 117.9669 57.0180 63.7009 174.6981 28 F 4.2229 8.4416 127.4506 60.9792 39.2155 177.9745 29 V 3.6933 8.0350 119.3412 65.9241 31.7401 177.9232 30 E 4.0096 8.2505 117.4655 58.8541 29.6837 177.4834 31 D 4.6456 7.9709 116.4789 55.7827 42.0479 177.1823 32 L 4.3206 8.2057 116.0855 54.0777 41.7941 177.1767 33 G 3.8983 7.8408 105.6238 45.9712 0.0000 174.0950 34 A 4.2432 8.0687 122.5449 52.1107 19.0586 178.3522 35 D 4.9512 9.3587 122.6094 51.4471 42.7583 177.5260 36 S 4.0757 8.4805 114.3537 62.0327 62.6335 176.6827 37 L 3.9451 7.9068 122.1041 58.2523 41.8452 178.1943 38 D 4.3527 8.5466 118.9339 57.8786 40.7590 179.1167 39 T 3.6994 7.7321 115.6124 66.6295 68.4894 176.6995 40 V 3.5081 7.3221 118.9068 66.2251 31.5942 177.9793 41 E 3.9725 8.3908 118.5234 59.0191 29.2353 179.2113 42 L 3.8210 8.2311 120.9370 58.0964 42.2214 179.0527 43 V 3.4895 7.5636 118.1559 66.4798 31.4283 177.9691 44 M 4.2365 8.0796 118.0008 58.0798 31.7122 178.6942 45 A 3.9778 7.8882 121.2600 55.1938 18.5722 179.7342 46 L 4.2128 8.0965 117.5236 57.8749 41.8178 179.5462 47 E 4.2858 8.3403 120.1225 58.6989 29.2260 179.0733 48 E 3.8772 8.2120 119.4075 59.2567 29.5815 178.3527 49 E 3.6094 7.8698 118.3218 58.8703 29.6358 177.4117 50 F 4.7029 7.9441 114.0397 56.2344 39.5485 175.3450 51 D 4.4001 7.6911 119.4550 54.7062 39.6857 173.7964 52 T 4.6486 7.9605 112.1757 60.9361 71.1980 171.7126 53 E 4.6956 8.7954 128.2658 55.0317 30.8720 175.1052 54 I 4.4273 8.4536 124.1555 58.2702 39.8218 174.1144 55 P 4.3626 0.0000 0.0000 62.7438 33.1412 177.2150 56 D 4.3221 8.7189 121.5156 57.7233 40.5775 179.1442 57 E 4.0303 8.0339 117.7216 59.2145 29.8906 178.7635 58 E 4.1067 7.9983 118.2028 59.2874 29.7525 178.9399 59 A 3.8525 8.1057 120.8816 54.9350 18.1182 179.2165 60 E 3.8958 7.8314 116.8131 59.0380 29.7537 178.4350 61 K 4.5043 7.7505 115.9767 56.3743 33.0995 177.5062 62 I 4.1606 7.3197 120.9171 60.7275 35.7462 175.3839 63 T 4.5655 8.2728 115.2204 61.9591 70.2441 175.0248 64 T 4.5661 7.3787 112.3370 58.8345 73.1476 174.4609 65 V 3.4212 7.4911 121.5663 66.5302 31.4332 178.3128 66 Q 3.9554 8.1717 118.7269 59.0509 28.9287 178.0174 67 A 4.0293 7.6517 120.4280 54.9360 18.3630 179.5443 68 A 4.0453 8.0588 118.9590 55.3386 18.4418 179.8727 69 I 3.5773 7.7699 118.3562 64.6758 37.1424 178.3346 70 D 4.3318 8.2658 119.6869 57.4566 40.6596 178.2586 71 Y 3.8818 7.9928 119.6739 60.7356 38.7651 178.1827 72 I 3.7166 7.8034 120.6209 64.6452 36.9863 178.2413 73 N 4.3565 8.1638 116.1627 56.1513 38.4032 177.3501 74 G 3.5819 8.1172 105.9951 46.5720 0.0000 173.9275 75 H 4.7126 7.7363 115.3918 55.4602 31.0702 174.3174 76 Q 4.1644 8.1605 120.5743 55.9615 29.5073 175.7221 77 A 4.2918 8.3423 125.5716 52.4562 19.3942 175.8428 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 S 8.32 4.60 0.00 4.10 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 2 T 8.66 4.35 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 1.22 0.00 0.00 3 I 8.35 3.77 1.84 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 1.55 0.89 0.74 0.00 0.00 4 E 8.15 3.92 0.00 2.03 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 2.39 2.41 0.00 5 E 8.28 4.02 0.00 2.26 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 2.35 2.37 0.00 6 R 8.28 4.05 0.00 2.14 2.20 0.00 3.21 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.87 0.00 7 V 8.45 3.76 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 1.09 0.00 0.00 0.79 0.00 0.00 8 K 8.25 4.01 0.00 1.88 1.88 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.70 7.81 9 K 8.11 3.96 0.00 1.95 2.01 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 1.47 1.51 7.81 10 I 7.71 3.75 2.10 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.64 0.96 0.00 0.00 11 I 8.06 3.85 2.13 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.95 1.13 0.00 0.00 12 G 8.21 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.09 3.95 0.00 2.04 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 2.33 2.40 0.00 14 Q 8.35 4.14 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.59 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 15 L 8.24 4.45 0.00 1.72 1.75 1.08 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.07 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 0.00 0.00 0.00 17 V 7.62 4.50 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 0.89 0.00 0.00 0.96 0.00 0.00 18 K 8.36 4.18 0.00 1.94 1.95 0.00 1.53 0.00 0.00 1.82 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.62 1.47 7.81 19 Q 8.95 4.01 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.95 0.00 0.00 0.00 0.00 0.00 2.47 2.33 0.00 20 E 8.14 4.09 0.00 2.07 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 2.28 2.25 0.00 21 E 8.02 4.19 0.00 1.96 2.14 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 2.28 2.23 0.00 22 V 7.33 4.01 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 0.88 0.00 0.00 1.02 0.00 0.00 23 T 7.59 4.50 4.22 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 1.20 0.00 0.00 24 N 8.69 4.29 0.00 2.82 3.05 0.00 0.00 6.58 6.92 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 25 N 7.89 4.56 0.00 2.76 2.89 0.00 0.00 5.99 7.26 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 26 A 7.61 4.09 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 27 S 9.28 4.71 0.00 3.76 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 28 F 8.44 4.22 0.00 3.24 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 29 V 8.04 3.69 2.13 0.00 0.00 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 30 E 8.25 4.01 0.00 1.99 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 2.32 2.34 0.00 31 D 7.97 4.65 0.00 2.84 2.67 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 32 L 8.21 4.32 0.00 1.90 1.76 0.95 1.26 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 33 G 7.84 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 34 A 8.07 4.24 1.34 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 0.00 0.00 35 D 9.36 4.95 0.00 2.89 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.48 4.08 0.00 3.87 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 37 L 7.91 3.95 0.00 1.74 1.65 0.90 1.24 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 38 D 8.55 4.35 0.00 2.93 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 39 T 7.73 3.70 4.42 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 0.00 0.00 0.00 1.14 0.00 0.00 40 V 7.32 3.51 2.18 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 1.00 0.00 0.00 0.90 0.00 0.00 41 E 8.39 3.97 0.00 2.01 1.96 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 2.31 2.47 0.00 42 L 8.23 3.82 0.00 1.66 1.64 0.87 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.56 3.49 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 0.93 0.00 0.00 0.83 0.00 0.00 44 M 8.08 4.24 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.53 0.00 45 A 7.89 3.98 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 46 L 8.10 4.21 0.00 1.76 1.89 0.92 0.95 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 E 8.34 4.29 0.00 2.16 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 2.54 2.35 0.00 48 E 8.21 3.88 0.00 2.08 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 2.27 2.29 0.00 49 E 7.87 3.61 0.00 1.72 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.47 0.00 50 F 7.94 4.70 0.00 3.28 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 51 D 7.69 4.40 0.00 2.67 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.96 4.65 4.36 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 1.40 0.00 0.00 53 E 8.80 4.70 0.00 2.02 1.88 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 2.28 2.24 0.00 54 I 8.45 4.43 1.51 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.50 0.82 0.00 0.00 55 P 0.00 4.36 0.00 2.20 1.96 0.00 3.80 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 2.26 2.21 0.00 56 D 8.72 4.32 0.00 2.66 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 57 E 8.03 4.03 0.00 1.93 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 2.31 2.34 0.00 58 E 8.00 4.11 0.00 2.12 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 0.00 2.47 2.41 0.00 59 A 8.11 3.85 1.18 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 0.00 0.00 0.00 60 E 7.83 3.90 0.00 2.15 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 2.32 2.34 0.00 61 K 7.75 4.50 0.00 1.94 1.86 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.47 7.81 62 I 7.32 4.16 1.99 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.62 1.04 0.00 0.00 63 T 8.27 4.57 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 1.30 0.00 0.00 64 T 7.38 4.57 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 1.15 0.00 0.00 65 V 7.49 3.42 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 0.97 0.00 0.00 0.82 0.00 0.00 66 Q 8.17 3.96 0.00 2.37 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.59 0.00 67 A 7.65 4.03 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 68 A 8.06 4.05 1.57 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 0.00 0.00 69 I 7.77 3.58 2.00 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 0.77 0.88 0.00 0.00 70 D 8.27 4.33 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 71 Y 7.99 3.88 0.00 3.28 3.11 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 72 I 7.80 3.72 1.81 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.62 0.21 0.00 0.00 73 N 8.16 4.36 0.00 2.76 2.84 0.00 0.00 7.09 8.24 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 74 G 8.12 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 75 H 7.74 4.71 0.00 2.92 3.24 0.00 5.86 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 8.16 4.16 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.46 2.68 0.00 77 A 8.34 4.29 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00