NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3135 8.3049 120.3459 55.5854 32.9834 171.6048 2 I 2.7285 7.7764 126.7280 59.3107 38.1113 169.3387 3 V 2.7933 8.6954 126.7222 62.1999 32.4383 173.5270 4 P 4.0778 0.0000 0.0000 62.5016 31.5166 176.1562 5 V 3.6742 8.2096 123.3413 63.8615 31.6886 173.4047 6 R 4.7532 8.3578 129.9824 55.8292 30.5206 176.0373 7 C 4.0160 8.0482 120.5304 59.0698 32.4961 174.5721 8 F 4.5062 8.2273 124.7667 60.9764 38.8127 177.2568 9 S 4.2647 8.2150 113.5711 61.4272 63.0529 174.9625 10 C 4.1715 7.7392 115.6005 59.9421 30.1537 174.8951 11 G 4.2546 8.1418 109.0024 44.1605 0.0000 173.1850 12 K 4.1307 8.0611 121.0093 55.3247 33.6683 175.8372 13 V 3.8396 8.4804 126.6603 63.8616 31.9332 175.3568 14 V 4.3802 8.6910 126.4121 60.9951 34.3199 174.7025 15 G 3.6475 9.1833 114.6303 46.3402 0.0000 176.0598 16 D 4.5135 7.9955 119.1265 55.6604 39.8622 177.3805 17 K 4.2170 8.0365 118.0566 57.5920 32.6485 178.5079 18 W 4.4424 8.0056 128.4181 60.8111 30.5283 177.7209 19 E 3.7607 8.3208 117.8260 59.1436 28.9111 179.5942 20 S 4.1081 7.9828 115.1840 61.5407 62.6097 175.7231 21 Y 4.0077 8.4391 122.6665 60.6154 38.5462 177.8675 22 L 3.4612 7.7372 121.5914 57.9541 41.9650 178.5673 23 N 4.3578 7.7076 116.2793 55.6204 38.8921 177.1458 24 L 4.2048 7.9750 119.9566 56.4448 41.5591 178.3571 25 L 3.8906 7.0645 118.9540 56.4331 42.2933 177.9222 26 Q 3.9663 7.6015 118.6720 58.7662 29.3300 177.3736 27 E 4.0818 7.5530 118.0097 59.5595 29.9055 178.3405 28 D 4.2730 7.9779 116.4016 55.0605 41.1896 174.8715 29 E 3.8585 7.2576 117.4782 55.4541 26.4961 173.3513 30 L 4.8353 7.6250 120.8874 51.6466 46.0455 176.6380 31 D 4.6567 8.2626 119.6458 53.0168 41.7777 177.1271 32 E 4.2114 8.8185 120.4826 59.5058 28.9414 179.6879 33 G 3.7952 8.1654 105.2725 48.5753 0.0000 175.7099 34 T 4.0389 7.9191 117.9630 65.6212 68.2806 176.7962 35 A 4.0096 7.7104 121.6992 55.2470 18.2892 179.7268 36 L 4.0587 8.1686 117.4558 58.1466 41.8276 179.9915 37 S 4.3332 7.8906 114.2650 61.3608 62.5191 176.4673 38 R 4.1512 8.0780 120.5650 58.5664 29.9712 177.7455 39 L 4.3044 7.3918 117.0436 55.5018 41.7614 177.6046 40 G 3.9904 7.6039 106.2064 45.2494 0.0000 174.1540 41 L 4.4603 7.3086 120.9648 52.7805 40.6694 176.4076 42 K 4.1521 8.4254 123.8765 58.0829 33.2002 177.4057 43 R 4.7472 7.5974 114.7981 53.8456 32.3738 175.7029 44 Y 4.1378 8.0205 115.5702 59.0504 38.7296 177.5315 45 C 4.0579 7.6716 115.5904 61.1425 29.9874 174.5711 46 C 4.2793 7.8442 114.0565 59.3772 30.3562 175.9523 47 R 3.9531 7.6428 120.4470 59.4068 29.6664 178.8796 48 R 4.2221 8.2426 109.1141 56.9571 28.8076 176.5325 49 M 4.2132 7.6623 118.7046 56.8279 33.4956 177.7534 50 I 3.8035 7.8682 119.9210 63.4195 37.7987 177.4189 51 L 4.4652 7.6983 116.3071 56.8235 40.3301 177.0891 52 T 4.4133 7.7413 116.6600 65.1637 70.7057 174.1295 53 H 4.3204 7.6547 121.0491 55.9475 30.1491 174.3910 54 V 3.9883 7.9846 126.9148 61.6553 32.6685 176.3823 55 D 4.5279 8.2441 128.6653 53.5439 39.3216 176.2436 56 L 4.1826 7.9067 123.4020 57.2019 42.1243 178.1662 57 I 3.8920 8.0911 118.4453 64.6594 37.4446 177.3370 58 E 4.0556 7.7504 117.3246 59.4343 29.0333 179.2029 59 K 4.0907 8.3158 118.6433 59.2222 32.0715 179.4876 60 F 4.4157 8.1483 117.7825 60.6105 38.7379 177.5606 61 L 4.2830 8.2290 117.7387 57.4750 41.4629 179.1580 62 R 4.0146 7.5282 117.0433 58.0481 30.1300 176.2805 63 Y 4.3525 6.7888 114.2851 57.4275 38.5834 175.3561 64 N 4.5841 8.6072 119.0420 52.3316 39.2303 173.6085 65 P 4.3275 0.0000 0.0000 63.8325 31.8549 176.3274 66 L 3.9947 8.4044 117.4210 55.4423 41.4312 174.7463 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 4.31 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.44 0.00 2 I 7.78 2.73 1.79 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.11 0.83 0.00 0.00 3 V 8.70 2.79 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 0.65 0.00 0.00 0.15 0.00 0.00 4 P 0.00 4.08 0.00 1.70 1.88 0.00 3.42 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.02 0.00 5 V 8.21 3.67 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 0.77 0.00 0.00 0.90 0.00 0.00 6 R 8.36 4.75 0.00 2.00 1.93 0.00 3.17 0.00 0.00 2.99 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.48 0.00 7 C 8.05 4.02 0.00 2.82 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 8 F 8.23 4.51 0.00 3.10 2.97 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 9 S 8.21 4.26 0.00 3.97 4.03 0.00 0.00 0.00 0.00 0.00 0.00 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 7.74 4.17 0.00 3.06 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 8.14 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.06 4.13 0.00 1.87 1.64 0.00 1.62 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.48 1.47 7.81 13 V 8.48 3.84 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 0.90 0.00 0.00 0.92 0.00 0.00 14 V 8.69 4.38 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 0.64 0.00 0.00 0.89 0.00 0.00 15 G 9.18 3.65 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 0.00 0.00 0.00 16 D 8.00 4.51 0.00 2.83 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 17 K 8.04 4.22 0.00 1.94 1.96 0.00 1.58 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.52 7.81 18 W 8.01 4.44 0.00 3.42 3.23 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 19 E 8.32 3.76 0.00 2.09 1.98 0.00 0.00 0.00 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 2.61 0.00 20 S 7.98 4.11 0.00 4.08 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 21 Y 8.44 4.01 0.00 3.04 3.06 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 22 L 7.74 3.46 0.00 0.97 1.21 0.64 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.71 4.36 0.00 2.75 2.76 0.00 0.00 7.03 6.63 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 24 L 7.98 4.20 0.00 1.76 1.62 0.95 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.06 3.89 0.00 1.38 1.42 0.66 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.60 3.97 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 27 E 7.55 4.08 0.00 2.00 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 2.30 2.45 0.00 28 D 7.98 4.27 0.00 2.79 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 29 E 7.26 3.86 0.00 2.11 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 2.20 2.34 0.00 30 L 7.62 4.84 0.00 1.51 1.49 0.89 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.26 4.66 0.00 2.88 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 32 E 8.82 4.21 0.00 2.15 2.20 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 2.55 2.57 0.00 33 G 8.17 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.92 4.04 4.25 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 0.00 0.00 0.00 1.22 0.00 0.00 35 A 7.71 4.01 1.42 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 0.00 0.00 0.00 36 L 8.17 4.06 0.00 1.78 1.77 0.98 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.89 4.33 0.00 4.05 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 38 R 8.08 4.15 0.00 2.00 1.97 0.00 3.25 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 1.64 1.67 0.00 39 L 7.39 4.30 0.00 1.89 1.74 1.13 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.60 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 0.00 0.00 0.00 41 L 7.31 4.46 0.00 1.71 1.65 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.43 4.15 0.00 1.87 1.94 0.00 1.50 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.41 7.81 43 R 7.60 4.75 0.00 1.71 1.98 0.00 3.05 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.32 0.00 44 Y 8.02 4.14 0.00 3.22 3.25 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 0.00 0.00 0.00 0.00 45 C 7.67 4.06 0.00 3.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 3.07 3.16 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 47 R 7.64 3.95 0.00 2.12 2.06 0.00 3.24 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 48 R 8.24 4.22 0.00 1.93 2.13 0.00 3.15 0.00 0.00 3.09 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.93 0.00 49 M 7.66 4.21 0.00 2.11 1.92 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.18 0.00 50 I 7.87 3.80 1.65 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 1.26 1.44 0.09 0.00 0.00 51 L 7.70 4.47 0.00 1.85 1.80 0.97 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.74 4.41 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 1.25 0.00 0.00 53 H 7.65 4.32 0.00 2.98 3.23 0.00 5.74 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 54 V 7.98 3.99 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 0.84 0.00 0.00 0.99 0.00 0.00 55 D 8.24 4.53 0.00 2.64 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 7.91 4.18 0.00 1.98 2.12 1.05 0.73 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 8.09 3.89 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 1.66 1.29 1.00 0.00 0.00 58 E 7.75 4.06 0.00 2.31 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 0.00 2.45 2.59 0.00 59 K 8.32 4.09 0.00 1.69 1.66 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.56 7.81 60 F 8.15 4.42 0.00 3.34 3.16 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 61 L 8.23 4.28 0.00 1.69 1.80 0.99 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.53 4.01 0.00 1.80 1.69 0.00 3.17 0.00 0.00 3.08 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 63 Y 6.79 4.35 0.00 3.10 2.88 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 64 N 8.61 4.58 0.00 2.79 2.80 0.00 0.00 6.93 8.02 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 65 P 0.00 4.33 0.00 2.19 2.11 0.00 3.92 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 66 L 8.40 3.99 0.00 1.84 1.73 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00