NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1917 8.2649 123.5821 50.8265 19.8217 175.9884 2 P 3.9880 0.0000 0.0000 62.3888 30.7823 174.8062 3 M 4.3076 8.3751 124.8344 54.1882 34.9072 174.7887 4 G 3.9588 8.3892 108.4211 45.5961 0.0000 172.8644 5 S 4.1246 8.8298 116.7422 59.3095 61.9003 176.4115 6 D 4.7454 8.6112 113.8497 52.3279 43.3971 172.4716 7 P 4.5310 0.0000 0.0000 61.3677 32.9470 176.8229 8 P 4.6125 0.0000 0.0000 63.2607 31.1328 175.2165 9 T 4.4839 8.0877 113.1890 62.9694 72.1847 174.6907 10 A 4.3766 8.6309 130.0610 52.0668 16.2021 175.4118 11 C 5.1465 7.9879 117.2957 54.7115 42.8721 175.0410 12 C 4.6670 8.6991 121.6320 57.0059 40.4030 173.5874 13 F 4.4594 8.4199 117.3447 57.3748 39.2864 175.6210 14 S 3.5068 5.8100 114.0121 57.9944 64.3476 172.4918 15 Y 4.6800 7.1842 115.6529 57.2550 42.2722 176.1262 16 T 4.1972 7.9183 115.1436 62.4889 67.4790 174.4341 17 A 4.7934 8.4692 123.1316 52.2489 21.0560 176.2266 18 R 4.5343 7.8520 115.7150 54.3044 34.0893 175.1811 19 K 2.8795 8.1383 123.8292 55.7240 32.4995 176.1981 20 L 4.1028 7.5161 126.5585 53.5467 42.3659 175.2228 21 P 4.3586 0.0000 0.0000 62.5172 32.0306 177.1675 22 R 3.9621 8.9248 121.6403 59.8325 29.9575 177.5644 23 N 4.8474 8.1617 112.1653 54.1028 38.6833 174.2148 24 F 4.9872 9.0117 118.3088 57.4310 40.2319 174.5451 25 V 4.7237 7.5031 119.4369 61.4723 31.9538 174.2890 26 V 3.9328 8.0448 118.2559 62.3540 32.4978 175.1212 27 D 4.8423 7.7009 117.7616 54.9663 44.8885 172.5141 28 Y 5.2784 8.5416 115.8136 57.4953 40.9363 172.8946 29 Y 4.3962 9.3009 118.4716 56.8777 42.5369 173.6499 30 E 4.5332 7.5815 125.1362 54.9951 31.7984 177.0790 31 T 4.0643 7.5843 112.0400 61.2415 70.6343 174.9333 32 S 4.7786 7.6036 122.0456 59.1558 62.1357 175.2748 33 S 4.5750 8.5859 114.7041 60.5849 67.2178 175.4776 34 L 4.0430 8.2819 120.2977 57.6919 41.5736 176.5455 35 C 4.4969 8.0502 113.0408 55.3149 42.1344 175.6648 36 S 4.5723 8.5760 120.8468 58.0271 62.1081 175.4017 37 Q 4.6513 8.4672 115.9005 54.7682 29.0183 171.0672 38 P 4.4372 0.0000 0.0000 63.6428 33.0963 175.1787 39 A 4.3610 9.1485 119.4978 51.7126 23.2456 175.3513 40 V 4.2742 7.6459 118.0261 61.5490 33.7901 174.8723 41 V 4.7946 8.7795 126.7315 61.1979 34.0568 174.2169 42 F 5.1966 9.3543 127.7183 56.9096 40.9834 174.7967 43 Q 5.3202 9.7882 123.0729 54.3467 30.0134 174.8914 44 T 4.9030 8.1176 116.9624 60.0787 70.1435 174.2034 45 K 4.2963 6.8257 116.8138 56.9571 34.6527 176.5251 46 R 4.9015 7.0492 117.4046 54.9141 31.4422 174.4478 47 S 4.5192 7.1989 125.3943 58.0628 70.0800 175.9019 48 K 4.6152 7.9126 134.7036 57.2754 39.4511 172.5522 49 Q 5.1300 8.0280 120.0096 54.2752 33.7672 174.3561 50 V 4.5760 9.0036 122.2572 61.2168 34.6304 174.3610 51 C 5.1540 8.9878 124.6435 57.2104 41.2095 172.3750 52 A 4.9455 9.0228 122.8019 50.1845 22.8576 175.2170 53 D 3.8014 8.3941 122.0043 53.0658 41.3256 175.1466 54 P 4.2110 0.0000 0.0000 64.6243 31.3344 177.4568 55 S 4.1029 8.3735 115.4745 60.5593 63.1404 174.0835 56 E 4.1797 7.9432 121.8773 55.2258 29.6298 177.3133 57 S 4.0497 8.9240 120.5096 61.5464 62.6470 176.6475 58 W 4.3464 8.1545 119.4695 59.1929 27.7838 178.4277 59 V 2.5926 6.6136 119.3536 65.5738 30.8495 177.8350 60 Q 3.9460 7.7531 118.8400 58.8732 28.9217 177.6576 61 E 3.9905 8.4180 120.5894 59.7076 29.8140 178.4463 62 Y 4.0669 8.8029 116.9547 61.0580 37.8708 178.8839 63 V 3.4089 8.0760 119.3047 65.9479 31.6959 177.4609 64 Y 3.9498 8.0383 119.3595 60.8919 38.4533 177.8149 65 D 4.3886 8.1027 118.6030 57.3646 40.9333 178.5285 66 L 4.1669 7.6363 118.7880 57.5714 41.6645 178.9844 67 E 4.1134 7.7558 117.9676 56.8535 29.6117 178.6398 68 L 3.9851 7.7036 118.6161 55.8170 40.8938 176.4690 69 N 4.4722 9.2838 126.0617 54.4590 39.0105 173.3539 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 A 8.26 4.19 1.27 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 0.00 0.00 0.00 2 P 0.00 3.99 0.00 2.15 2.07 0.00 3.94 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 3 M 8.38 4.31 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 4 G 8.39 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 0.00 0.00 0.00 5 S 8.83 4.12 0.00 3.98 3.71 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 0.00 0.00 0.00 0.00 6 D 8.61 4.75 0.00 2.64 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 7 P 0.00 4.53 0.00 2.16 2.07 0.00 3.51 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 8 P 0.00 4.61 0.00 2.20 2.13 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 9 T 8.09 4.48 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 10 A 8.63 4.38 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 11 C 7.99 5.15 0.00 2.99 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 12 C 8.70 4.67 0.00 2.90 2.86 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 13 F 8.42 4.46 0.00 3.16 3.11 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 14 S 5.81 3.51 0.00 3.54 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 15 Y 7.18 4.68 0.00 3.00 3.01 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 0.00 0.00 0.00 16 T 7.92 4.20 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 17 A 8.47 4.79 1.26 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 0.00 0.00 0.00 18 R 7.85 4.53 0.00 1.65 1.67 0.00 3.14 0.00 0.00 3.09 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 19 K 8.14 2.88 0.00 0.79 0.96 0.00 1.11 0.00 0.00 0.61 0.00 0.00 2.62 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.61 0.21 7.81 20 L 7.52 4.10 0.00 1.57 1.82 1.17 1.26 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 21 P 0.00 4.36 0.00 2.21 1.96 0.00 3.57 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 2.00 1.97 0.00 22 R 8.92 3.96 0.00 1.65 1.91 0.00 2.99 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.50 0.00 23 N 8.16 4.85 0.00 2.74 2.85 0.00 0.00 6.67 7.07 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 24 F 9.01 4.99 0.00 2.98 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 25 V 7.50 4.72 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 1.37 0.00 0.00 1.01 0.00 0.00 26 V 8.04 3.93 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 0.68 0.00 0.00 0.97 0.00 0.00 27 D 7.70 4.84 0.00 2.83 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.54 5.28 0.00 3.09 3.10 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 0.00 0.00 0.00 0.00 29 Y 9.30 4.40 0.00 3.03 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 30 E 7.58 4.53 0.00 1.55 1.60 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 2.16 2.24 0.00 31 T 7.58 4.06 4.22 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 1.27 0.00 0.00 32 S 7.60 4.78 0.00 3.96 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 33 S 8.59 4.57 0.00 3.90 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 34 L 8.28 4.04 0.00 1.66 1.82 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 35 C 8.05 4.50 0.00 3.12 3.24 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 0.00 36 S 8.58 4.57 0.00 3.89 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 37 Q 8.47 4.65 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.93 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 38 P 0.00 4.44 0.00 2.16 2.29 0.00 3.80 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 39 A 9.15 4.36 1.32 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 40 V 7.65 4.27 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.79 0.00 0.00 41 V 8.78 4.79 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 1.01 0.00 0.00 42 F 9.35 5.20 0.00 3.24 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 43 Q 9.79 5.32 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.54 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 44 T 8.12 4.90 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 1.22 0.00 0.00 45 K 6.83 4.30 0.00 1.74 1.84 0.00 1.90 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.28 1.08 7.81 46 R 7.05 4.90 0.00 1.91 2.26 0.00 3.40 0.00 0.00 3.29 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.81 0.00 47 S 7.20 4.52 0.00 3.87 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 48 K 7.91 4.62 0.00 1.81 1.57 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.44 7.81 49 Q 8.03 5.13 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.26 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 50 V 9.00 4.58 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 1.14 0.00 0.00 1.15 0.00 0.00 51 C 8.99 5.15 0.00 2.93 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 52 A 9.02 4.95 1.24 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 0.00 0.00 0.00 53 D 8.39 3.80 0.00 1.86 2.21 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 0.00 54 P 0.00 4.21 0.00 2.09 2.02 0.00 3.56 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.88 0.00 55 S 8.37 4.10 0.00 3.75 3.87 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 56 E 7.94 4.18 0.00 1.70 1.57 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 2.35 2.15 0.00 57 S 8.92 4.05 0.00 4.06 4.14 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 58 W 8.15 4.35 0.00 3.57 3.40 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 59 V 6.61 2.59 1.66 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 0.63 0.00 0.00 -0.66 0.00 0.00 60 Q 7.75 3.95 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.67 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 61 E 8.42 3.99 0.00 2.22 2.42 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 2.55 2.43 0.00 62 Y 8.80 4.07 0.00 3.24 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 63 V 8.08 3.41 2.25 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 0.79 0.00 0.00 0.81 0.00 0.00 64 Y 8.04 3.95 0.00 3.26 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.10 4.39 0.00 2.78 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.64 4.17 0.00 1.61 1.73 1.06 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 67 E 7.76 4.11 0.00 1.78 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 2.33 2.47 0.00 68 L 7.70 3.99 0.00 1.68 1.13 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 69 N 9.28 4.47 0.00 2.64 2.67 0.00 0.00 6.71 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