NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4475 8.3049 120.3261 54.9067 33.4166 175.0137 2 K 4.1523 8.3255 120.4094 55.6570 33.0594 175.0786 3 I 4.5916 7.7381 121.5618 59.2562 40.9027 175.9323 4 S 4.1388 8.9340 120.0451 60.9567 63.0940 174.7663 5 G 3.7829 8.1510 109.5435 45.9165 0.0000 173.2798 6 R 3.9556 8.6272 124.8910 58.2669 30.6778 176.3370 7 N 4.7806 8.0951 116.0849 51.8842 39.8000 174.4745 8 K 4.8800 8.6015 123.6489 54.3924 34.8478 175.7914 9 L 4.2409 8.5552 125.4360 52.4865 44.2407 176.0150 10 E 4.6030 8.9821 124.5427 56.3687 29.8429 175.8688 11 A 5.1438 9.1444 126.7577 50.3366 23.5264 174.0621 12 T 4.9999 8.5304 113.9697 61.7008 72.2624 174.4248 13 V 3.9289 8.8137 126.7296 63.2618 32.0169 176.3217 14 K 4.3760 9.2363 127.5834 57.9990 33.6985 176.4508 15 E 4.7826 7.7505 118.0504 55.0409 33.2825 173.9397 16 I 5.0516 8.2742 124.7458 59.5398 40.6779 174.7157 17 V 4.3473 8.7664 127.1876 61.0299 33.8476 174.1346 18 K 4.6455 8.8079 127.6440 55.1165 33.5369 176.5129 19 G 4.2677 8.5358 116.0377 44.3795 0.0000 172.8889 20 T 4.0522 8.5273 114.8429 65.8758 69.0205 175.1582 21 V 4.2596 7.8999 118.6892 64.1409 34.3424 175.5644 22 M 5.1429 7.9846 118.1982 53.6768 35.1550 174.7876 23 A 5.1324 9.1385 121.8492 50.1217 23.0021 174.9449 24 K 4.7426 9.0167 123.5538 55.2576 34.0736 175.3108 25 I 4.7277 8.8409 129.4290 59.7466 39.2294 174.6932 26 V 4.5418 8.7671 128.8462 62.0983 32.9864 174.8439 27 M 5.3208 9.2485 126.5309 53.6605 37.0368 173.3765 28 D 5.2862 9.0928 120.3172 52.8712 43.9725 174.4109 29 Y 5.0713 9.0637 126.9256 55.5180 41.0212 175.1368 30 K 3.7503 9.7210 128.7879 57.0862 29.8343 176.7224 31 G 3.9488 8.3100 105.4230 45.3397 0.0000 174.0421 32 T 4.5128 7.7932 117.5405 61.5932 70.1703 173.2860 33 E 4.7444 8.6985 127.4351 56.0429 30.5129 175.5529 34 L 4.9283 9.0918 126.5707 53.0147 45.4186 175.7168 35 V 4.8472 8.2614 120.1211 61.3826 34.2134 174.1908 36 A 4.8570 9.1292 129.7116 49.9887 22.1110 174.8364 37 A 5.2027 8.6363 123.0079 50.3397 20.8977 175.4125 38 I 4.7707 8.3980 115.1243 59.4974 42.0309 175.1787 39 T 4.6016 8.2854 111.7126 60.9025 69.8415 175.7551 40 I 3.7382 8.6340 117.8893 64.3125 37.3316 178.1003 41 D 4.3828 8.1735 120.1805 57.5958 40.5336 178.9446 42 S 4.1174 7.9353 115.1033 61.3192 62.7686 176.7804 43 V 3.5474 7.7079 120.3913 65.9901 31.1815 177.8587 44 A 3.9683 7.9514 120.4084 55.0852 18.0114 179.0872 45 D 4.2491 8.1555 115.8068 57.4956 41.4935 178.0437 46 L 4.1284 8.1236 116.9456 54.4924 42.7649 176.0003 47 D 4.3714 7.6204 117.7889 55.0159 39.9869 173.8514 48 L 4.3175 7.8078 118.2539 54.8246 42.8600 177.6723 49 V 4.4576 8.9252 122.1783 59.9646 34.6362 172.9595 50 P 4.5200 0.0000 0.0000 64.5702 31.5791 175.9335 51 G 4.1100 9.1159 111.2517 45.5001 0.0000 174.0031 52 D 4.5308 8.1096 119.6354 54.4748 42.0808 175.8525 53 K 4.7861 8.5219 121.7229 55.9011 33.2629 176.4268 54 V 4.6077 8.9127 117.3285 60.1244 36.9954 174.1758 55 T 4.9617 8.3396 117.4087 61.7969 70.5595 174.1475 56 A 4.2809 8.8709 129.7580 51.2913 20.0231 175.6739 57 L 5.0991 8.4193 123.7506 53.1555 45.0718 175.7172 58 V 4.4543 8.6136 125.3846 60.6573 34.9965 174.7538 59 K 4.2600 8.7072 128.4907 55.9672 33.0305 177.2245 60 A 3.9929 8.7749 128.5939 55.6349 18.3831 179.5081 61 T 4.0947 7.8712 103.3103 63.4558 69.0631 174.6645 62 E 4.4914 8.1368 121.2378 56.0947 29.7673 174.7946 63 M 4.5061 7.6539 119.7369 53.7811 33.4739 175.5020 64 E 4.4978 8.5486 125.5466 55.1578 31.3821 175.4526 65 V 4.4311 8.0690 119.1793 61.0242 33.9635 174.6332 66 L 4.8539 8.3743 126.0009 52.9775 44.4660 176.3301 67 K 4.1182 8.3206 121.7231 56.8567 32.2683 175.6635 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 4.45 0.00 2.02 2.06 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 2.50 2.57 0.00 2 K 8.33 4.15 0.00 1.82 1.73 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.52 7.81 3 I 7.74 4.59 1.86 0.00 0.00 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 1.46 0.60 0.94 0.00 0.00 4 S 8.93 4.14 0.00 3.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.15 3.78 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 0.00 0.00 0.00 6 R 8.63 3.96 0.00 1.81 2.00 0.00 3.36 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.59 0.00 7 N 8.10 4.78 0.00 2.82 2.72 0.00 0.00 6.66 7.39 0.00 0.00 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 K 8.60 4.88 0.00 1.56 1.67 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.45 7.81 9 L 8.56 4.24 0.00 0.89 0.13 0.65 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.98 4.60 0.00 1.98 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 2.33 2.35 0.00 11 A 9.14 5.14 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.53 5.00 4.27 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 0.00 0.00 0.00 1.32 0.00 0.00 13 V 8.81 3.93 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 0.79 0.00 0.00 0.98 0.00 0.00 14 K 9.24 4.38 0.00 1.74 1.84 0.00 1.79 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.35 7.81 15 E 7.75 4.78 0.00 2.01 1.73 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 2.28 2.34 0.00 16 I 8.27 5.05 1.87 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 1.23 0.79 0.91 0.00 0.00 17 V 8.77 4.35 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 1.07 0.00 0.00 0.93 0.00 0.00 18 K 8.81 4.65 0.00 1.67 1.72 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.42 7.81 19 G 8.54 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 T 8.53 4.05 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 1.21 0.00 0.00 21 V 7.90 4.26 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 1.11 0.00 0.00 0.93 0.00 0.00 22 M 7.98 5.14 0.00 1.96 1.93 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 2.60 2.46 0.00 23 A 9.14 5.13 1.17 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 24 K 9.02 4.74 0.00 1.83 1.69 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.41 7.81 25 I 8.84 4.73 1.86 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 0.87 0.91 0.00 0.00 26 V 8.77 4.54 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 0.76 0.00 0.00 0.99 0.00 0.00 27 M 9.25 5.32 0.00 1.99 1.89 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 28 D 9.09 5.29 0.00 2.78 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.06 5.07 0.00 2.94 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 30 K 9.72 3.75 0.00 1.48 1.62 0.00 1.26 0.00 0.00 1.47 0.00 0.00 2.75 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.10 0.61 7.81 31 G 8.31 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 32 T 7.79 4.51 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 1.26 0.00 0.00 33 E 8.70 4.74 0.00 2.00 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 0.00 2.30 2.49 0.00 34 L 9.09 4.93 0.00 1.58 1.51 0.82 0.53 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 35 V 8.26 4.85 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 0.79 0.00 0.00 0.94 0.00 0.00 36 A 9.13 4.86 1.20 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 0.00 0.00 37 A 8.64 5.20 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 38 I 8.40 4.77 1.86 0.00 0.00 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 1.28 0.93 0.90 0.00 0.00 39 T 8.29 4.60 4.38 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 1.21 0.00 0.00 40 I 8.63 3.74 1.87 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 1.70 0.58 1.00 0.00 0.00 41 D 8.17 4.38 0.00 2.70 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 S 7.94 4.12 0.00 4.06 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 43 V 7.71 3.55 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 1.05 0.00 0.00 0.98 0.00 0.00 44 A 7.95 3.97 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 45 D 8.16 4.25 0.00 2.74 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 8.12 4.13 0.00 1.77 1.70 0.96 1.34 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 47 D 7.62 4.37 0.00 2.69 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 48 L 7.81 4.32 0.00 1.70 1.59 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.93 4.46 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 1.00 0.00 0.00 0.93 0.00 0.00 50 P 0.00 4.52 0.00 2.08 2.16 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 51 G 9.12 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 0.00 0.00 0.00 52 D 8.11 4.53 0.00 2.69 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.52 4.79 0.00 1.64 1.76 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.42 7.81 54 V 8.91 4.61 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.98 0.00 0.00 55 T 8.34 4.96 4.21 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 1.16 0.00 0.00 56 A 8.87 4.28 1.10 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 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.42 5.10 0.00 1.56 1.49 0.95 0.86 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 58 V 8.61 4.45 2.05 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 0.87 0.00 0.00 0.89 0.00 0.00 59 K 8.71 4.26 0.00 1.82 1.81 0.00 1.78 0.00 0.00 2.00 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.43 7.81 60 A 8.77 3.99 1.31 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 0.00 0.00 0.00 61 T 7.87 4.09 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 1.21 0.00 0.00 62 E 8.14 4.49 0.00 2.06 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 2.24 2.25 0.00 63 M 7.65 4.51 0.00 1.89 1.93 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 64 E 8.55 4.50 0.00 1.99 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 0.00 2.26 2.28 0.00 65 V 8.07 4.43 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 0.85 0.00 0.00 0.93 0.00 0.00 66 L 8.37 4.85 0.00 1.64 1.53 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.32 4.12 0.00 1.65 1.59 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.43 7.81