NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5620 8.1627 120.6167 54.6639 34.0083 174.5195 2 I 4.4652 7.8139 117.1095 57.6423 42.0022 169.3652 3 V 2.7587 8.6779 126.3873 62.7858 32.4315 173.7575 4 P 4.3694 0.0000 0.0000 61.9623 32.0711 175.8150 5 V 3.8592 7.9397 120.1326 62.9847 32.3461 172.0784 6 R 4.4716 8.9067 132.5758 54.7037 30.2079 175.0475 7 C 4.1723 8.5372 117.4218 54.9588 42.5810 173.2332 8 F 4.4324 8.5428 123.3634 60.9782 38.0429 176.7523 9 S 4.2975 7.7307 113.5936 61.2630 64.7683 175.1810 10 C 4.3114 8.6477 118.7398 54.6396 40.3281 175.1320 11 G 4.6721 9.3623 122.4734 46.0253 0.0000 172.7307 12 K 3.7036 7.4084 120.8581 56.2174 32.1426 175.3327 13 V 3.7707 8.4699 119.5839 62.4968 31.8075 176.2044 14 V 4.2583 8.3873 117.2550 61.3410 33.6107 178.1116 15 G 3.7504 8.2366 108.4275 48.4484 0.0000 174.0594 16 D 4.5728 7.9932 116.8600 54.5354 40.2071 177.5105 17 K 4.3519 8.1251 119.2959 56.8099 32.5060 178.2740 18 W 4.4599 8.1607 129.4218 61.0167 30.6707 176.7790 19 E 3.7825 8.5850 117.7096 59.5339 28.6293 179.2215 20 S 4.0729 7.9372 114.7588 62.6329 63.3571 175.7241 21 Y 4.2250 8.1323 120.8391 61.5164 38.3350 178.1551 22 L 3.4486 7.6897 118.3576 57.9464 42.0563 179.3224 23 N 4.2329 8.2134 116.7119 56.4530 37.5594 176.1371 24 L 4.3145 7.9552 118.9337 56.4134 41.9456 177.7402 25 L 4.1150 7.6008 119.7969 56.7470 41.6725 178.3626 26 Q 3.9148 7.6665 121.9849 58.7086 29.4216 177.5930 27 E 4.2543 7.5148 117.8092 57.7089 30.3595 176.3082 28 D 4.5344 7.8861 114.8442 53.4211 42.0837 175.7027 29 E 3.7461 7.8922 118.2857 57.8025 27.1417 172.7511 30 L 4.8246 7.3211 117.2002 52.5995 45.9163 176.7343 31 D 4.9029 8.1035 119.0468 51.9847 42.6592 176.9446 32 E 4.1380 8.8993 121.0356 60.1947 29.5910 179.6887 33 G 3.7287 8.3721 105.0790 48.4859 0.0000 175.5972 34 T 4.1001 8.7643 112.4755 63.5310 67.4435 176.5593 35 A 4.0594 8.2525 124.2441 55.2118 18.2510 179.5614 36 L 4.2835 8.1159 117.3760 57.9086 41.4340 179.6764 37 S 4.2788 7.4826 113.1572 60.7753 62.9831 176.0955 38 R 4.0821 7.9334 120.3047 58.1184 29.9409 177.2465 39 L 4.5336 7.2435 115.0621 54.5365 42.1909 177.1032 40 G 3.9103 8.2054 106.7475 45.7225 0.0000 174.6036 41 L 4.4487 7.1571 122.0200 53.0587 40.2963 176.6902 42 K 4.1403 8.1948 121.5054 59.2902 33.8244 179.6127 43 R 3.9968 7.7533 118.0729 55.8510 30.8430 176.4047 44 Y 4.6036 7.9016 118.3645 58.3023 38.4888 177.3103 45 C 4.1492 7.4569 116.1643 61.4236 29.7740 174.8918 46 C 4.2846 7.8359 118.1460 61.9967 28.3359 175.6295 47 R 3.9239 7.5593 118.5401 59.6010 29.2649 178.9574 48 R 4.1508 7.9012 114.1856 58.4902 29.3712 178.5091 49 M 3.9801 7.9701 119.4067 58.8288 32.6402 177.6925 50 I 4.0032 7.5460 119.1763 63.5005 37.2999 178.0369 51 L 4.0349 7.8106 121.3422 58.1399 42.0087 177.6021 52 T 4.4640 7.3717 104.3376 61.4978 69.0409 174.3107 53 H 4.3098 7.5582 121.5832 56.4784 30.3631 174.6925 54 V 4.2650 7.7957 124.0476 61.3143 34.3209 175.9554 55 D 4.5531 8.3320 129.5062 52.7956 39.7786 176.5408 56 L 4.1606 7.7207 122.6518 57.2790 42.2180 178.4346 57 I 3.9402 7.8238 118.7344 64.4811 37.5007 177.5320 58 E 4.0942 8.0236 118.1471 59.2708 29.3062 178.9465 59 K 4.2767 8.3031 117.9032 58.3070 32.1787 179.3303 60 F 4.1742 8.1516 118.0776 60.6935 38.8287 177.3916 61 L 4.2241 7.9212 116.3135 57.2078 41.4360 179.1763 62 R 4.0331 7.6785 116.8791 58.2547 30.2768 176.3050 63 Y 4.2174 7.4429 115.9607 57.5166 38.0256 174.4300 64 N 4.5157 8.1703 121.0063 55.6922 39.9093 173.2989 65 P 4.4716 0.0000 0.0000 62.7919 31.4639 176.4977 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 4.56 0.00 2.12 1.90 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 2 I 7.81 4.47 1.79 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.76 0.82 0.00 0.00 3 V 8.68 2.76 1.82 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 0.59 0.00 0.00 0.05 0.00 0.00 4 P 0.00 4.37 0.00 1.71 1.75 0.00 3.41 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.90 0.00 5 V 7.94 3.86 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 0.76 0.00 0.00 0.87 0.00 0.00 6 R 8.91 4.47 0.00 1.93 1.88 0.00 3.29 0.00 0.00 3.91 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.51 0.00 7 C 8.54 4.17 0.00 2.97 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.54 4.43 0.00 3.06 3.02 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 0.00 0.00 0.00 9 S 7.73 4.30 0.00 3.98 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 10 C 8.65 4.31 0.00 3.06 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 11 G 9.36 4.67 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 12 K 7.41 3.70 0.00 1.76 1.70 0.00 1.72 0.00 0.00 1.79 0.00 0.00 3.12 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.49 7.81 13 V 8.47 3.77 2.06 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 0.74 0.00 0.00 0.91 0.00 0.00 14 V 8.39 4.26 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 0.82 0.00 0.00 0.88 0.00 0.00 15 G 8.24 3.75 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 0.00 0.00 0.00 16 D 7.99 4.57 0.00 2.82 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 17 K 8.13 4.35 0.00 2.05 1.91 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.43 1.45 7.81 18 W 8.16 4.46 0.00 3.34 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 19 E 8.58 3.78 0.00 2.04 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 2.52 2.42 0.00 20 S 7.94 4.07 0.00 4.04 3.99 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 0.00 0.00 0.00 21 Y 8.13 4.22 0.00 3.03 2.90 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 22 L 7.69 3.45 0.00 1.61 1.46 -0.17 0.20 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 23 N 8.21 4.23 0.00 2.91 2.85 0.00 0.00 7.28 7.33 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 24 L 7.96 4.31 0.00 1.83 1.64 0.94 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.60 4.12 0.00 1.58 1.40 0.27 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.67 3.91 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.93 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 27 E 7.51 4.25 0.00 2.00 2.15 0.00 0.00 0.00 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 2.30 0.00 28 D 7.89 4.53 0.00 2.72 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.89 3.75 0.00 2.05 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 2.27 0.00 30 L 7.32 4.82 0.00 1.92 1.53 0.91 0.93 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 31 D 8.10 4.90 0.00 2.86 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 32 E 8.90 4.14 0.00 2.16 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 0.00 2.55 2.50 0.00 33 G 8.37 3.73 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 0.00 0.00 0.00 34 T 8.76 4.10 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 35 A 8.25 4.06 1.50 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 0.00 0.00 36 L 8.12 4.28 0.00 1.93 1.75 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.48 4.28 0.00 4.10 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 38 R 7.93 4.08 0.00 1.85 1.98 0.00 3.25 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 39 L 7.24 4.53 0.00 1.89 1.70 1.04 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.21 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 0.00 0.00 0.00 41 L 7.16 4.45 0.00 1.78 1.63 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.19 4.14 0.00 1.87 1.93 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.40 7.81 43 R 7.75 4.00 0.00 1.86 1.98 0.00 2.89 0.00 0.00 3.30 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 44 Y 7.90 4.60 0.00 3.26 3.32 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 45 C 7.46 4.15 0.00 3.07 2.84 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 46 C 7.84 4.28 0.00 2.95 2.95 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 47 R 7.56 3.92 0.00 2.13 2.07 0.00 3.22 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 48 R 7.90 4.15 0.00 2.16 2.25 0.00 2.89 0.00 0.00 3.19 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.97 0.00 49 M 7.97 3.98 0.00 1.89 2.06 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 50 I 7.55 4.00 1.68 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 1.44 0.85 0.15 0.00 0.00 51 L 7.81 4.03 0.00 1.84 1.74 1.04 1.07 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 52 T 7.37 4.46 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 1.29 0.00 0.00 53 H 7.56 4.31 0.00 3.38 3.41 0.00 5.71 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.80 4.27 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 0.87 0.00 0.00 0.97 0.00 0.00 55 D 8.33 4.55 0.00 2.98 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 56 L 7.72 4.16 0.00 2.08 2.00 1.06 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.82 3.94 2.13 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.28 1.03 0.00 0.00 58 E 8.02 4.09 0.00 2.06 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 2.63 2.62 0.00 59 K 8.30 4.28 0.00 1.87 1.81 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.49 7.81 60 F 8.15 4.17 0.00 3.27 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 61 L 7.92 4.22 0.00 1.76 1.83 1.00 0.95 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 62 R 7.68 4.03 0.00 1.93 2.04 0.00 3.31 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 63 Y 7.44 4.22 0.00 2.93 2.93 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 64 N 8.17 4.52 0.00 2.71 2.78 0.00 0.00 7.07 7.69 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 65 P 0.00 4.47 0.00 2.11 1.97 0.00 3.85 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00