NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3472 8.3044 120.3171 54.9947 33.6123 173.9746 2 Q 3.9766 8.0992 120.7551 55.6598 30.1217 173.3168 3 R 5.1789 8.3722 123.5161 55.1145 33.3697 174.9887 4 G 4.3205 8.6521 107.8574 45.8398 0.0000 171.3999 5 K 5.0753 8.6644 120.1513 54.0949 35.7834 175.9011 6 V 3.8177 8.7704 128.0888 63.3591 31.8576 176.4114 7 K 4.2334 9.1139 130.9277 59.0307 32.6325 176.6960 8 W 5.2406 7.7670 114.4977 55.8808 31.4003 172.9962 9 F 4.6568 8.8810 122.4998 57.1552 42.1005 172.6534 10 N 4.9291 8.4598 126.2352 51.9531 39.6443 174.9545 11 N 4.6529 8.9119 123.7984 54.0884 38.2520 175.8143 12 E 4.0736 8.1720 119.8386 58.8034 30.1310 177.5193 13 K 3.9575 8.4673 117.6774 57.2814 32.3417 177.7338 14 G 3.8576 9.6040 107.2300 45.5914 0.0000 171.9845 15 Y 4.6987 5.9143 115.7175 55.9921 41.5579 173.2842 16 G 2.6038 7.2327 103.8604 45.7700 0.0000 172.2369 17 F 5.0304 7.0964 117.8931 55.6450 43.7422 174.0426 18 I 4.6261 8.6644 122.9825 59.6262 39.3829 174.5270 19 E 4.8830 9.2902 128.6747 55.7001 30.9827 175.4550 20 V 4.9879 8.2058 118.0352 59.3326 36.2579 174.8191 21 E 4.0655 8.9164 123.9154 57.5823 29.8115 177.3194 22 G 3.9078 10.0789 111.2832 45.7203 0.0000 172.5373 23 G 4.1772 7.5122 106.9133 44.0286 0.0000 173.5199 24 S 4.3746 8.3769 115.2425 58.0253 63.3957 174.3933 25 D 4.8283 8.6017 122.6230 55.1259 41.6802 175.9824 26 V 4.5613 8.8991 121.9730 60.7534 34.0271 174.7502 27 F 3.6616 9.0151 130.5991 58.2155 40.7414 173.9136 28 V 4.3392 7.3129 124.6244 60.0687 34.3304 173.9388 29 H 5.2201 8.4706 124.4425 54.0302 31.9779 175.4122 30 F 4.3425 8.9649 119.4152 60.1410 37.7274 177.6775 31 T 3.6313 6.8829 109.6042 63.5308 68.8316 174.8567 32 A 4.1870 8.0521 125.0071 53.5876 19.0335 177.3308 33 I 4.2757 7.3274 117.7251 61.2443 37.6510 175.8524 34 Q 4.3928 8.5065 124.7655 55.4378 29.8725 175.3723 35 G 4.1664 8.5911 107.9006 44.5538 0.0000 174.9652 36 E 3.7607 8.6926 120.6388 57.4789 29.8168 177.5876 37 G 3.7047 7.1375 107.8136 44.7500 0.0000 173.1337 38 F 4.1335 8.0383 117.2824 58.3393 39.3569 177.1523 39 K 4.3874 8.4983 125.1437 55.1486 30.5139 175.4835 40 T 4.5456 7.4158 114.6496 60.0365 71.1472 172.4805 41 L 4.6648 7.1728 123.2899 52.6413 45.8807 175.7508 42 E 4.7908 8.1167 117.1735 53.7879 32.4722 174.9473 43 E 4.2753 8.7928 120.9267 58.4299 29.8742 177.3820 44 G 3.9833 9.1721 115.1242 45.0300 0.0000 173.3716 45 Q 4.0656 7.9481 122.4292 56.2074 30.1363 175.2614 46 E 4.6967 8.8450 126.4356 56.5236 30.9444 176.2427 47 V 5.1139 8.9796 116.8800 59.6753 36.5375 174.5302 48 S 5.5255 8.5869 117.3885 57.2343 65.9089 172.9203 49 F 5.4063 8.5375 115.6792 57.4838 41.8000 171.7209 50 E 4.7596 9.2000 119.9324 54.3603 32.3125 174.4704 51 I 4.9014 8.1946 126.9478 60.5582 38.4437 175.4533 52 V 4.6034 8.8794 119.4180 59.6385 36.0950 174.4075 53 Q 4.7896 8.7207 121.4569 54.7051 30.2200 175.5190 54 G 4.2485 8.6734 114.6007 43.3819 0.0000 172.9372 55 N 4.4974 8.6514 115.2354 54.5266 37.3605 175.6435 56 R 4.3578 7.9996 116.8654 55.9204 31.1476 176.0006 57 G 3.8373 7.9116 105.5221 43.2562 0.0000 171.3235 58 P 5.0129 0.0000 0.0000 63.2175 32.1132 175.8164 59 Q 4.9027 9.0768 119.6944 55.2068 32.4636 173.0897 60 A 5.0609 8.7302 122.0560 51.5994 19.6439 176.8096 61 A 4.6500 9.0468 121.9798 49.9028 23.2264 175.2155 62 N 4.0704 8.4351 114.4344 54.5649 37.4383 174.7475 63 V 4.3386 7.8407 118.5829 62.4273 33.1439 175.1320 64 V 4.6359 8.6978 129.0434 60.7937 33.9026 174.6855 65 K 4.4315 8.6990 127.8266 56.3217 32.6894 177.0086 66 L 4.3424 8.5469 124.6555 54.8108 41.3786 176.5983 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 4.35 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 2 Q 8.10 3.98 0.00 1.79 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.73 0.00 0.00 0.00 0.00 0.00 1.28 1.88 0.00 3 R 8.37 5.18 0.00 1.74 1.86 0.00 3.67 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 4 G 8.65 4.32 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 0.00 0.00 0.00 5 K 8.66 5.08 0.00 1.81 1.64 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.52 7.81 6 V 8.77 3.82 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 0.92 0.00 0.00 0.82 0.00 0.00 7 K 9.11 4.23 0.00 1.91 2.09 0.00 2.08 0.00 0.00 2.01 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.76 1.53 7.81 8 W 7.77 5.24 0.00 3.52 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 9 F 8.88 4.66 0.00 2.86 3.05 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 0.00 0.00 0.00 0.00 10 N 8.46 4.93 0.00 2.95 2.48 0.00 0.00 6.59 7.36 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 11 N 8.91 4.65 0.00 2.90 3.12 0.00 0.00 6.23 7.66 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 12 E 8.17 4.07 0.00 1.89 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 0.00 2.21 2.26 0.00 13 K 8.47 3.96 0.00 1.09 1.18 0.00 1.52 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.35 7.81 14 G 9.60 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 5.91 4.70 0.00 2.42 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 16 G 7.23 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 0.00 0.00 0.00 17 F 7.10 5.03 0.00 2.84 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 18 I 8.66 4.63 1.44 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.34 0.61 0.00 0.00 19 E 9.29 4.88 0.00 2.07 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 2.33 2.34 0.00 20 V 8.21 4.99 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 1.08 0.00 0.00 1.08 0.00 0.00 21 E 8.92 4.07 0.00 1.96 1.92 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 0.00 2.35 2.41 0.00 22 G 10.08 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 0.00 0.00 0.00 23 G 7.51 4.18 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 0.00 24 S 8.38 4.37 0.00 3.95 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 25 D 8.60 4.83 0.00 2.62 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.90 4.56 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 1.04 0.00 0.00 1.22 0.00 0.00 27 F 9.02 3.66 0.00 2.88 2.75 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 28 V 7.31 4.34 1.75 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 0.44 0.00 0.00 0.77 0.00 0.00 29 H 8.47 5.22 0.00 3.30 3.15 0.00 5.68 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.96 4.34 0.00 3.48 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 T 6.88 3.63 4.05 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 0.00 0.00 0.00 0.51 0.00 0.00 32 A 8.05 4.19 1.36 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 0.00 0.00 0.00 33 I 7.33 4.28 1.96 0.00 0.00 0.59 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 0.49 0.83 0.00 0.00 34 Q 8.51 4.39 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.03 0.00 0.00 0.00 0.00 0.00 2.53 2.44 0.00 35 G 8.59 4.17 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 0.00 36 E 8.69 3.76 0.00 1.92 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 2.27 2.21 0.00 37 G 7.14 3.70 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 0.00 0.00 0.00 38 F 8.04 4.13 0.00 3.05 2.94 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 39 K 8.50 4.39 0.00 1.96 2.10 0.00 1.83 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.49 1.52 7.81 40 T 7.42 4.55 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 1.21 0.00 0.00 41 L 7.17 4.66 0.00 0.75 1.18 0.48 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.12 4.79 0.00 2.11 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 2.21 2.24 0.00 43 E 8.79 4.28 0.00 2.07 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 2.36 2.65 0.00 44 G 9.17 3.98 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 0.00 0.00 0.00 45 Q 7.95 4.07 0.00 2.23 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.96 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 46 E 8.84 4.70 0.00 1.94 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.30 0.00 47 V 8.98 5.11 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 0.73 0.00 0.00 0.94 0.00 0.00 48 S 8.59 5.53 0.00 3.90 3.98 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 49 F 8.54 5.41 0.00 3.21 3.08 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 0.00 50 E 9.20 4.76 0.00 1.95 1.79 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 2.21 2.24 0.00 51 I 8.19 4.90 1.87 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 1.61 0.60 0.99 0.00 0.00 52 V 8.88 4.60 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 0.76 0.00 0.00 1.03 0.00 0.00 53 Q 8.72 4.79 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 54 G 8.67 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 55 N 8.65 4.50 0.00 2.81 2.93 0.00 0.00 5.77 7.66 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 56 R 8.00 4.36 0.00 1.61 1.78 0.00 3.04 0.00 0.00 3.00 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.47 0.00 57 G 7.91 3.84 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 0.00 0.00 0.00 58 P 0.00 5.01 0.00 2.04 2.06 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 59 Q 9.08 4.90 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 60 A 8.73 5.06 1.12 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 0.00 0.00 61 A 9.05 4.65 1.22 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 0.00 0.00 0.00 62 N 8.44 4.07 0.00 3.01 2.90 0.00 0.00 6.57 7.71 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 63 V 7.84 4.34 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 0.80 0.00 0.00 0.86 0.00 0.00 64 V 8.70 4.64 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 0.92 0.00 0.00 0.94 0.00 0.00 65 K 8.70 4.43 0.00 1.66 1.71 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.41 7.81 66 L 8.55 4.34 0.00 1.53 1.57 0.97 0.72 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