NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4942 8.1633 120.6070 55.4069 34.9862 175.1409 2 I 4.6985 7.5336 116.4038 58.2085 41.2243 169.2511 3 V 3.1739 8.6136 123.5937 62.6676 32.5710 174.0535 4 P 4.3330 0.0000 0.0000 62.3175 32.0978 176.3493 5 V 3.7800 8.5713 122.5214 65.9724 31.8634 175.7209 6 R 5.5268 7.5115 116.0118 52.7184 33.9184 174.7208 7 C 3.5298 8.5901 120.5890 60.2632 31.6967 174.7602 8 F 4.4407 8.4951 124.8580 60.6366 38.8490 176.5465 9 S 4.5341 8.1353 115.0073 59.6122 63.2949 174.4345 10 C 4.6092 8.1660 111.9033 57.1540 30.8568 174.8349 11 G 3.9537 8.1951 108.9362 45.0401 0.0000 173.9785 12 K 3.8089 7.8037 120.8118 56.5480 32.5972 175.9692 13 V 3.9636 8.1239 125.0776 63.1941 32.2145 175.8360 14 V 4.4160 8.0661 121.6128 62.3738 33.5743 176.4301 15 G 3.8208 8.3828 107.5370 47.3812 0.0000 173.9166 16 D 4.7684 7.9875 118.2803 53.4041 39.9354 177.3811 17 K 4.5701 7.8864 118.0900 56.1465 33.1609 177.6433 18 W 4.5070 8.1466 129.9889 60.4239 30.7100 177.5866 19 E 3.8048 8.2478 118.1460 59.5968 29.0379 179.3360 20 S 4.0638 8.0719 114.5717 61.4657 62.8836 176.0961 21 Y 3.9298 7.3281 120.8777 60.2351 38.6926 177.2992 22 L 3.3979 7.4556 121.0807 58.2219 42.2986 178.4382 23 N 4.0587 7.9385 116.6885 56.6355 38.6460 177.3143 24 L 3.9829 7.7074 119.7104 57.3252 41.0923 179.4852 25 L 4.0055 7.4096 118.7531 56.7981 41.4447 178.3830 26 Q 3.9473 7.5589 117.4708 57.6523 29.8233 176.5020 27 E 4.1493 7.8652 118.3405 58.4396 29.8110 177.0962 28 D 4.7457 7.4705 114.2440 53.1015 42.4891 175.0681 29 E 3.8590 7.6088 116.5275 57.2900 27.5108 174.6206 30 L 4.3695 7.2057 116.6983 53.6065 42.8265 176.8633 31 D 4.4975 8.3911 121.1869 53.0438 40.5827 176.9161 32 E 4.0262 9.1694 121.9020 60.1493 29.4184 180.2366 33 G 3.7312 8.1301 104.4326 47.4223 0.0000 175.6922 34 T 4.0549 8.0807 117.5248 66.1607 68.9785 176.4241 35 A 4.1369 8.0096 122.1775 55.3789 18.1583 179.5738 36 L 4.1541 7.9314 116.9403 57.9002 41.7001 179.1256 37 S 4.4599 7.9053 112.8088 59.6931 62.6411 175.8877 38 R 4.1556 7.5019 121.8359 58.3083 30.0590 176.9675 39 L 4.5133 7.6096 117.8720 54.4019 41.5252 178.2797 40 G 3.7847 7.6044 106.0862 45.8702 0.0000 174.8373 41 L 4.3482 7.3068 120.6897 53.5588 40.4977 176.0581 42 K 4.5003 8.3393 122.9071 56.8655 35.0470 177.9943 43 R 4.1775 7.7093 116.7832 55.6230 31.6216 177.0012 44 Y 4.3109 8.3829 120.0694 60.3342 37.6432 178.1177 45 C 4.2132 7.8842 115.7021 61.5864 30.1776 174.8663 46 C 4.0571 8.1006 119.5378 62.3224 27.6829 176.5337 47 R 3.9650 8.1218 119.6109 59.1282 29.6224 179.2414 48 R 3.9260 8.3106 116.0252 59.3600 29.0443 178.6678 49 M 3.9509 7.6532 118.2391 58.2440 31.9677 177.5483 50 I 4.0607 7.4441 118.8888 63.4162 37.7349 177.7381 51 L 4.1354 8.0488 120.5545 57.0310 41.9913 177.3579 52 T 4.5112 7.3501 105.7502 60.8882 69.5769 173.7566 53 H 3.7387 7.6010 121.2670 56.8868 30.1393 174.4930 54 V 4.3225 7.4540 124.0986 61.3790 33.8413 175.3313 55 D 4.7822 8.4347 128.9123 53.0360 39.7704 176.3420 56 L 3.8301 7.6056 123.7431 56.6688 41.8955 178.2068 57 I 3.4778 7.5187 118.8229 63.7145 37.6089 177.4836 58 E 4.0127 7.7373 118.2247 58.7776 29.4683 178.5510 59 K 4.2871 8.1136 118.3829 58.1928 32.6784 178.8544 60 F 4.8427 7.7807 117.7311 60.3935 38.7396 177.2934 61 L 4.2972 8.3187 117.8395 56.8126 41.4636 178.5346 62 R 4.2138 7.5936 116.6743 55.9824 30.3254 175.7190 63 Y 4.5182 6.9779 116.7768 56.6096 39.7609 175.2564 64 N 4.5822 8.6477 118.6749 53.8525 39.1746 174.4091 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 4.49 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.00 2.80 0.00 2 I 7.53 4.70 1.84 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 1.29 0.42 0.83 0.00 0.00 3 V 8.61 3.17 1.81 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 0.53 0.00 0.00 0.74 0.00 0.00 4 P 0.00 4.33 0.00 1.72 1.75 0.00 3.58 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.01 0.00 5 V 8.57 3.78 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 1.04 0.00 0.00 0.92 0.00 0.00 6 R 7.51 5.53 0.00 1.62 1.89 0.00 3.73 0.00 0.00 3.78 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.35 0.00 7 C 8.59 3.53 0.00 2.93 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 8.50 4.44 0.00 3.17 2.98 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 0.00 0.00 0.00 9 S 8.14 4.53 0.00 3.87 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 10 C 8.17 4.61 0.00 3.01 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 11 G 8.20 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 12 K 7.80 3.81 0.00 1.77 1.67 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.43 7.81 13 V 8.12 3.96 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 0.85 0.00 0.00 0.92 0.00 0.00 14 V 8.07 4.42 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 0.88 0.00 0.00 0.88 0.00 0.00 15 G 8.38 3.82 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 0.00 0.00 0.00 16 D 7.99 4.77 0.00 2.81 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 7.89 4.57 0.00 1.84 1.89 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.38 1.43 7.81 18 W 8.15 4.51 0.00 3.28 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 19 E 8.25 3.80 0.00 2.08 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 2.43 2.51 0.00 20 S 8.07 4.06 0.00 3.88 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 7.33 3.93 0.00 3.05 2.85 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 0.00 0.00 0.00 22 L 7.46 3.40 0.00 1.45 1.40 0.28 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.94 4.06 0.00 2.81 2.80 0.00 0.00 7.12 6.34 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 24 L 7.71 3.98 0.00 1.68 1.59 0.90 0.45 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 25 L 7.41 4.01 0.00 1.58 1.51 0.55 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.56 3.95 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.01 0.00 0.00 0.00 0.00 0.00 2.24 2.46 0.00 27 E 7.87 4.15 0.00 2.15 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 2.30 2.22 0.00 28 D 7.47 4.75 0.00 2.53 2.57 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 29 E 7.61 3.86 0.00 1.93 2.00 0.00 0.00 0.00 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 2.22 0.00 30 L 7.21 4.37 0.00 1.62 1.54 0.88 0.95 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 31 D 8.39 4.50 0.00 2.82 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 9.17 4.03 0.00 2.16 2.30 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 2.51 2.49 0.00 33 G 8.13 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 8.08 4.05 4.54 0.00 0.00 0.00 0.00 0.00 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 35 A 8.01 4.14 1.35 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 0.00 0.00 0.00 36 L 7.93 4.15 0.00 1.81 1.77 0.97 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.91 4.46 0.00 3.97 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 38 R 7.50 4.16 0.00 1.91 2.05 0.00 3.30 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 39 L 7.61 4.51 0.00 1.72 1.68 1.07 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.60 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 41 L 7.31 4.35 0.00 1.80 1.67 0.90 0.76 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 42 K 8.34 4.50 0.00 1.83 1.90 0.00 1.57 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.37 7.81 43 R 7.71 4.18 0.00 1.85 1.98 0.00 2.86 0.00 0.00 3.32 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 44 Y 8.38 4.31 0.00 3.06 3.14 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 0.00 0.00 0.00 45 C 7.88 4.21 0.00 3.17 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 46 C 8.10 4.06 0.00 3.08 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 47 R 8.12 3.97 0.00 2.06 2.01 0.00 3.38 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.92 0.00 48 R 8.31 3.93 0.00 2.12 2.37 0.00 2.99 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 49 M 7.65 3.95 0.00 1.99 2.26 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 50 I 7.44 4.06 1.67 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 1.52 0.90 0.03 0.00 0.00 51 L 8.05 4.14 0.00 1.62 1.80 1.02 1.19 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 52 T 7.35 4.51 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 1.27 0.00 0.00 53 H 7.60 3.74 0.00 3.10 3.02 0.00 5.69 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.45 4.32 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 0.85 0.00 0.00 0.96 0.00 0.00 55 D 8.43 4.78 0.00 2.86 2.63 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 56 L 7.61 3.83 0.00 1.36 0.83 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.52 3.48 1.85 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.92 0.00 0.00 58 E 7.74 4.01 0.00 2.15 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 2.56 2.57 0.00 59 K 8.11 4.29 0.00 1.78 1.89 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.40 7.81 60 F 7.78 4.84 0.00 3.15 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 61 L 8.32 4.30 0.00 1.63 1.77 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.59 4.21 0.00 1.54 1.83 0.00 3.12 0.00 0.00 3.17 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 63 Y 6.98 4.52 0.00 2.85 2.80 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 64 N 8.65 4.58 0.00 2.67 2.70 0.00 0.00 6.85 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00