NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5161 8.1627 118.3265 55.5211 33.7495 173.1992 2 Q 4.7788 8.0301 118.1767 52.8785 32.7261 171.6842 3 I 4.4130 9.4472 119.6680 59.0300 42.4347 173.1160 4 F 5.4895 8.6417 120.5921 55.6746 41.9524 174.9725 5 V 4.8116 9.2032 123.1884 60.9296 34.2318 173.9772 6 K 5.0911 9.0135 129.5271 54.6432 34.7433 176.1176 7 T 4.6728 8.5311 118.1313 61.0003 69.8387 174.7107 8 L 4.1947 8.4098 121.5662 57.8036 41.9676 178.6760 9 T 3.9638 8.1780 108.0127 64.8562 68.4308 173.4269 10 G 3.4645 7.7112 114.8947 45.0577 0.0000 173.7432 11 K 3.7686 7.4350 122.4484 57.5145 32.7923 176.0002 12 T 5.1770 8.5236 123.1461 62.1697 71.4134 174.0125 13 I 4.7003 8.4747 123.6752 60.1723 41.5555 174.3447 14 T 5.0321 8.7027 123.3416 62.3707 69.9986 174.1023 15 L 4.7845 8.9310 125.7390 52.8348 45.3622 174.9878 16 E 4.8032 8.7085 123.8282 55.0502 30.5162 175.2240 17 V 4.7194 8.9170 119.6058 59.8789 36.3783 174.5043 18 E 4.7869 9.0030 120.7619 54.0348 32.2552 176.0366 19 P 4.3632 0.0000 0.0000 64.5483 31.6343 178.4008 20 S 4.3621 7.8267 111.8839 59.6503 64.0032 174.4646 21 D 4.4096 7.9591 123.0163 54.4543 41.2976 176.3399 22 T 4.7751 8.2216 114.0251 61.1085 71.4787 175.9335 23 I 3.7870 8.4369 122.1497 64.2198 36.8851 178.8324 24 E 3.9825 8.1143 119.4669 59.4348 29.3576 178.5469 25 N 4.2732 7.8900 116.6888 56.4160 38.6466 177.6205 26 V 3.6086 7.6797 118.8878 65.8441 31.7541 178.2436 27 K 4.2623 8.4073 119.3309 58.8227 31.8833 179.1814 28 A 4.0117 8.2237 121.1856 55.1471 18.3807 179.8936 29 K 4.0068 7.8562 116.5101 59.3391 31.9687 179.6116 30 I 3.8681 7.6062 120.2185 64.0362 37.1293 177.9734 31 Q 4.2656 8.0171 121.7069 58.5276 28.5155 178.2343 32 D 4.3151 7.6167 118.9471 57.3830 41.1531 178.6241 33 K 4.2831 7.7573 116.5078 58.3899 32.3128 178.0148 34 E 4.5493 8.2613 116.1228 55.3891 32.4120 175.8021 35 G 4.0426 8.2462 106.1427 46.2472 0.0000 173.5785 36 I 4.2122 7.1070 118.8590 59.0128 38.3240 173.7812 37 P 4.4879 0.0000 0.0000 61.7766 31.5518 175.7251 38 P 4.2072 0.0000 0.0000 64.5386 31.4592 177.6559 39 D 4.3118 7.9172 116.8093 55.0051 40.0992 177.3414 40 Q 4.2301 8.7153 119.3797 57.2869 29.4253 175.3762 41 Q 4.6381 7.4411 118.1745 55.4682 30.2632 175.3340 42 R 4.6600 9.1787 122.8375 54.4623 33.3603 174.5548 43 L 5.0090 8.4699 124.1736 53.6691 44.0684 175.8660 44 I 5.0383 8.6167 122.5201 59.5492 41.4019 174.0302 45 F 5.0000 9.4536 128.6835 56.5867 42.0153 174.8019 46 A 3.3638 9.0878 130.3030 53.0743 15.6136 177.3727 47 G 3.9375 7.8478 107.4679 45.1996 0.0000 172.7863 48 K 4.4650 7.8042 121.6503 54.6447 33.7267 174.6198 49 Q 4.6785 8.4045 126.7594 55.4577 29.9717 174.9760 50 L 3.8998 8.5242 127.5477 54.3655 42.4906 176.1909 51 E 4.4277 9.3300 125.9241 55.0969 31.1085 175.6383 52 D 4.4672 8.6831 126.6235 56.0958 41.4063 176.8842 53 G 3.9818 8.6574 111.5227 45.1552 0.0000 173.4674 54 R 4.5605 7.5678 117.4174 54.7240 32.5883 175.1331 55 T 5.0741 8.2032 109.4013 59.7280 71.4541 175.7388 56 L 4.0224 8.3510 121.4023 58.0530 41.4848 180.1356 57 S 4.1282 7.9540 113.6725 61.5233 62.6177 176.1517 58 D 4.5715 7.7303 120.9718 56.3465 40.5486 177.1483 59 Y 4.5130 7.6813 114.6814 56.2734 39.2424 174.6599 60 N 4.1191 8.3914 117.7975 54.4828 37.8955 174.1369 61 I 3.7754 7.6650 117.5468 60.1999 38.0587 175.6542 62 Q 4.6540 8.1839 123.8893 52.8765 31.8497 174.7703 63 K 3.9717 8.2951 117.6195 58.9215 32.4869 176.8923 64 E 3.3287 9.0126 119.7139 56.6712 27.8895 174.9170 65 S 4.5776 7.7880 115.7280 58.9945 64.4171 173.2175 66 T 5.1897 8.6895 117.8470 62.0806 70.6857 173.5989 67 L 5.0948 8.9792 126.5920 53.4749 44.8724 175.2259 68 H 5.3111 9.1383 119.1829 54.1884 31.5608 173.4801 69 L 5.0106 8.6912 124.8204 53.6607 43.1584 175.7721 70 V 4.5749 8.7840 126.4018 61.2183 34.6486 174.1587 71 L 5.9306 8.2559 122.6577 51.9402 45.7010 176.6033 72 R 4.2551 8.5025 120.4802 56.5074 29.8442 175.6805 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 4.52 0.00 2.07 2.24 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.71 0.00 2 Q 8.03 4.78 0.00 2.32 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.69 0.00 0.00 0.00 0.00 0.00 2.00 2.33 0.00 3 I 9.45 4.41 1.83 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.02 0.74 0.00 0.00 4 F 8.64 5.49 0.00 2.98 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.20 4.81 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 0.95 0.00 0.00 0.93 0.00 0.00 6 K 9.01 5.09 0.00 1.69 1.45 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.31 7.81 7 T 8.53 4.67 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 1.28 0.00 0.00 8 L 8.41 4.19 0.00 1.67 1.77 0.92 0.83 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 9 T 8.18 3.96 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 1.22 0.00 0.00 10 G 7.71 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.43 3.77 0.00 1.86 1.76 0.00 1.61 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.47 7.81 12 T 8.52 5.18 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 1.21 0.00 0.00 13 I 8.47 4.70 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.72 0.93 0.00 0.00 14 T 8.70 5.03 4.33 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 1.23 0.00 0.00 15 L 8.93 4.78 0.00 1.52 1.47 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.71 4.80 0.00 1.92 1.83 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 2.20 2.43 0.00 17 V 8.92 4.72 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 0.69 0.00 0.00 0.85 0.00 0.00 18 E 9.00 4.79 0.00 1.84 1.80 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 2.20 2.38 0.00 19 P 0.00 4.36 0.00 2.15 2.06 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 20 S 7.83 4.36 0.00 3.96 3.97 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 21 D 7.96 4.41 0.00 2.80 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.22 4.78 4.44 0.00 0.00 0.00 0.00 0.00 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 23 I 8.44 3.79 1.89 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 1.85 1.34 0.89 0.00 0.00 24 E 8.11 3.98 0.00 2.06 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 2.40 2.46 0.00 25 N 7.89 4.27 0.00 2.98 2.87 0.00 0.00 6.71 7.54 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 26 V 7.68 3.61 2.19 0.00 0.00 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 0.96 0.00 0.00 27 K 8.41 4.26 0.00 1.98 1.85 0.00 1.73 0.00 0.00 1.95 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.61 1.49 7.81 28 A 8.22 4.01 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.86 4.01 0.00 1.92 1.86 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.82 7.81 30 I 7.61 3.87 2.14 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 1.41 0.77 0.91 0.00 0.00 31 Q 8.02 4.27 0.00 2.20 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 32 D 7.62 4.32 0.00 2.90 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 33 K 7.76 4.28 0.00 1.74 1.87 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.70 7.81 34 E 8.26 4.55 0.00 2.04 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 2.23 2.40 0.00 35 G 8.25 4.04 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 0.00 0.00 0.00 36 I 7.11 4.21 1.87 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 1.30 0.88 0.91 0.00 0.00 37 P 0.00 4.49 0.00 2.39 1.98 0.00 3.85 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 38 P 0.00 4.21 0.00 2.17 2.10 0.00 3.59 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 39 D 7.92 4.31 0.00 2.78 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 40 Q 8.72 4.23 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 7.04 0.00 0.00 0.00 0.00 0.00 2.56 2.32 0.00 41 Q 7.44 4.64 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 42 R 9.18 4.66 0.00 1.65 1.81 0.00 3.42 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 43 L 8.47 5.01 0.00 1.55 1.53 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.62 5.04 1.91 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 0.86 0.92 0.00 0.00 45 F 9.45 5.00 0.00 2.90 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 46 A 9.09 3.36 0.63 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 0.00 0.00 47 G 7.85 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 0.00 0.00 0.00 48 K 7.80 4.46 0.00 1.82 1.73 0.00 1.78 0.00 0.00 1.89 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.42 7.81 49 Q 8.40 4.68 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 50 L 8.52 3.90 0.00 1.41 1.28 0.65 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.33 4.43 0.00 2.15 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 2.35 2.34 0.00 52 D 8.68 4.47 0.00 2.73 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 53 G 8.66 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 54 R 7.57 4.56 0.00 2.12 1.95 0.00 3.00 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 55 T 8.20 5.07 4.46 0.00 0.00 0.00 0.00 0.00 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 56 L 8.35 4.02 0.00 1.69 1.68 0.89 0.87 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 57 S 7.95 4.13 0.00 4.02 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 58 D 7.73 4.57 0.00 2.64 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 7.68 4.51 0.00 3.03 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 60 N 8.39 4.12 0.00 2.84 2.98 0.00 0.00 7.12 7.98 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 61 I 7.67 3.78 1.61 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.16 0.52 0.00 0.00 62 Q 8.18 4.65 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 7.02 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 63 K 8.30 3.97 0.00 1.79 1.79 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.47 7.81 64 E 9.01 3.33 0.00 2.15 2.35 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 2.24 2.24 0.00 65 S 7.79 4.58 0.00 3.78 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 66 T 8.69 5.19 4.36 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 1.23 0.00 0.00 67 L 8.98 5.09 0.00 1.60 1.59 0.86 1.03 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 68 H 9.14 5.31 0.00 3.13 3.21 0.00 5.78 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.69 5.01 0.00 1.60 1.58 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.78 4.57 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 0.96 0.00 0.00 0.94 0.00 0.00 71 L 8.26 5.93 0.00 1.49 1.50 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.50 4.26 0.00 1.80 1.77 0.00 3.27 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00