NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.2714 8.1933 115.2930 58.9698 62.2615 173.2462 2 R 3.4694 8.3740 126.5340 56.2279 27.3635 172.8062 3 V 3.8730 7.6072 113.9381 60.9232 30.3429 176.2547 4 C 3.9178 8.2336 126.2268 60.3759 31.1198 172.9973 5 Q 3.8937 7.2647 120.9656 57.1399 28.8659 174.9247 6 V 3.7035 7.5597 118.9475 64.3876 32.3900 177.4440 7 T 4.4277 7.8715 109.1857 59.4477 68.9239 174.3136 8 G 4.2334 8.1849 107.8410 46.6573 0.0000 174.1938 9 K 4.2353 7.4181 116.8126 56.0078 32.7406 176.7775 10 R 4.8576 8.0510 119.8376 53.3262 34.1411 173.4026 11 P 4.4497 0.0000 0.0000 63.5283 30.6975 175.7306 12 V 4.5031 8.2103 118.0052 59.8261 33.7861 175.5701 13 T 4.3500 8.6076 115.9442 61.6148 69.7274 174.0551 14 G 4.5045 8.4050 113.8859 45.0265 0.0000 170.3557 15 N 5.2470 8.8249 116.6491 51.7441 41.2192 174.9051 16 N 4.1821 8.6818 120.0323 56.1544 38.7645 174.9224 17 R 3.6964 8.0814 124.6204 56.2790 26.6574 176.8573 18 S 4.3654 7.8757 116.3461 57.5319 65.3015 174.2359 19 H 4.3813 8.3804 116.5698 56.5451 29.2034 176.9575 20 A 3.9550 9.1011 121.7962 52.1079 17.5811 177.5355 21 L 3.6316 8.0340 114.0710 55.9856 38.8073 175.4437 22 N 4.7028 7.8339 116.8355 52.4226 38.5094 175.3530 23 A 4.4003 8.4226 126.6711 51.6179 19.5990 176.6987 24 T 4.5004 8.3233 112.4275 59.9438 72.2036 172.9359 25 K 4.2950 8.6658 125.3774 56.4411 31.7240 176.0096 26 R 4.0521 8.6153 122.4622 55.9805 31.1285 173.2302 27 R 3.8469 7.6571 127.6464 55.3586 30.6485 175.3112 28 F 4.7036 8.5554 124.3054 56.6453 40.4829 174.5520 29 L 4.6749 8.0202 121.0577 54.8841 42.5097 172.0423 30 P 4.7293 0.0000 0.0000 61.0328 32.9984 175.3851 31 N 4.6469 8.5303 118.2660 52.1263 36.9404 173.7316 32 L 5.1541 8.5340 123.1670 52.3699 43.9121 177.5222 33 H 4.7615 8.3666 120.5581 54.6394 28.4903 171.6601 34 S 3.6991 8.2776 120.3145 59.4871 62.6211 171.3945 35 H 4.2006 7.7216 113.9643 55.4958 33.6742 173.1852 36 R 4.6378 8.4953 126.1782 56.1397 30.8103 175.8979 37 F 5.0391 9.6276 123.5495 55.3802 41.4435 175.3004 38 W 5.1450 9.3044 133.2694 57.9074 30.8757 175.9164 39 V 3.8220 6.2950 116.7606 60.3305 33.7729 176.0952 40 E 3.1191 5.9000 123.0547 56.9467 27.2245 176.0142 41 S 3.6847 7.0093 109.8331 63.3548 63.1788 175.0530 42 E 3.8438 7.9859 127.3161 56.9693 30.7133 176.5126 43 K 3.3346 7.0874 118.5238 56.0611 30.3035 172.7372 44 R 4.7042 6.2377 116.2742 56.0026 32.8861 174.7206 45 F 5.4714 9.0586 118.4590 56.8107 40.3843 176.0466 46 V 4.4668 9.2674 117.6766 59.7707 33.8039 174.8038 47 T 4.7697 8.6793 121.4795 61.7187 68.0771 173.8021 48 L 4.7704 9.1085 128.2508 52.8083 45.7078 175.6367 49 R 4.2025 9.0311 123.5111 57.1530 30.3862 175.9992 50 V 4.9328 8.5281 116.8732 58.4487 36.6117 174.9312 51 S 5.2131 8.5670 114.8206 55.6415 65.1154 173.2179 52 A 4.1839 8.1468 123.1831 53.0695 18.7686 177.2919 53 K 4.3694 9.0169 126.5651 57.2465 32.1190 178.4112 54 G 4.3510 7.9091 104.9830 47.7972 0.0000 174.4590 55 M 4.3307 8.1044 118.9312 57.4530 32.1909 178.0482 56 R 4.0417 8.1140 118.6556 59.7574 30.0178 178.5458 57 V 3.6705 9.5380 118.3873 64.9657 30.9788 178.1342 58 I 3.9130 7.5520 118.8658 62.8751 36.9065 177.4898 59 D 4.2209 8.1532 119.7638 56.7832 40.7949 176.5937 60 K 4.1841 7.5005 118.0587 57.2943 32.6192 177.5741 61 K 3.9003 8.0771 122.4573 57.9469 33.0121 177.8315 62 G 4.0354 7.9094 107.0608 44.7485 0.0000 173.9836 63 I 3.3711 7.8368 116.0055 64.9945 37.7519 177.4453 64 D 4.3723 7.8166 119.9326 56.5848 41.0232 178.7691 65 T 3.8302 7.8331 115.7617 66.8366 68.3176 176.5479 66 V 4.0457 8.2781 120.0941 64.3728 31.5694 176.8932 67 L 4.3385 7.3794 116.4678 54.7088 42.0359 177.9823 68 A 4.1410 8.2074 123.1212 55.9200 18.4036 178.6008 69 E 4.1853 7.9685 115.4038 56.5938 30.8247 175.3835 70 L 4.0604 8.3237 121.1103 56.2515 40.3369 176.9971 71 R 3.7024 7.7669 117.6222 59.1495 30.4347 178.1902 72 A 4.2809 7.4141 117.3533 53.4127 18.0382 177.7725 73 R 4.4523 8.0459 112.6667 54.9054 33.6605 174.4988 74 G 3.5427 7.8292 105.2718 46.5462 0.0000 174.8546 75 E 4.5877 7.4222 116.8779 55.8340 30.4980 177.2622 76 K 3.3294 8.2119 119.1632 57.7045 33.2408 175.2300 77 Y 4.0509 8.6301 114.7836 57.9763 39.1558 169.9228 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 S 8.19 4.27 0.00 3.88 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 2 R 8.37 3.47 0.00 2.01 2.12 0.00 3.45 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 3 V 7.61 3.87 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 0.91 0.00 0.00 0.98 0.00 0.00 4 C 8.23 3.92 0.00 2.95 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 5 Q 7.26 3.89 0.00 2.58 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 6 V 7.56 3.70 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 0.92 0.00 0.00 0.89 0.00 0.00 7 T 7.87 4.43 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 1.20 0.00 0.00 8 G 8.18 4.23 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 0.00 0.00 0.00 9 K 7.42 4.24 0.00 1.97 1.75 0.00 1.61 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.53 7.81 10 R 8.05 4.86 0.00 1.75 1.79 0.00 3.22 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.77 0.00 11 P 0.00 4.45 0.00 2.19 2.14 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 12 V 8.21 4.50 2.16 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 0.83 0.00 0.00 1.09 0.00 0.00 13 T 8.61 4.35 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 1.21 0.00 0.00 14 G 8.40 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.82 5.25 0.00 2.62 2.71 0.00 0.00 6.80 8.00 0.00 0.00 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 N 8.68 4.18 0.00 2.70 2.83 0.00 0.00 7.00 8.99 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 17 R 8.08 3.70 0.00 1.98 1.99 0.00 3.38 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 18 S 7.88 4.37 0.00 3.98 3.90 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 19 H 8.38 4.38 0.00 3.28 3.29 0.00 5.93 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 9.10 3.96 1.44 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 0.00 0.00 0.00 21 L 8.03 3.63 0.00 1.80 1.85 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 22 N 7.83 4.70 0.00 2.58 2.80 0.00 0.00 6.81 8.67 0.00 0.00 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 A 8.42 4.40 1.23 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 0.00 0.00 24 T 8.32 4.50 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 1.20 0.00 0.00 25 K 8.67 4.30 0.00 1.62 1.81 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.43 7.81 26 R 8.62 4.05 0.00 1.64 2.01 0.00 2.85 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.80 0.00 27 R 7.66 3.85 0.00 1.90 1.89 0.00 3.20 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.62 0.00 28 F 8.56 4.70 0.00 3.18 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 29 L 8.02 4.67 0.00 1.71 1.65 0.95 0.63 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 30 P 0.00 4.73 0.00 2.21 2.10 0.00 3.79 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 31 N 8.53 4.65 0.00 3.08 3.10 0.00 0.00 5.92 6.67 0.00 0.00 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 L 8.53 5.15 0.00 1.63 1.60 0.99 1.14 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 33 H 8.37 4.76 0.00 3.22 3.32 0.00 5.68 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.28 3.70 0.00 4.06 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 35 H 7.72 4.20 0.00 3.20 2.98 0.00 5.77 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.50 4.64 0.00 1.44 1.80 0.00 3.14 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.50 0.00 37 F 9.63 5.04 0.00 3.04 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 38 W 9.30 5.15 0.00 3.49 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 39 V 6.30 3.82 1.78 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 0.62 0.00 0.00 0.60 0.00 0.00 40 E 5.90 3.12 0.00 1.79 1.86 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 1.86 2.21 0.00 41 S 7.01 3.68 0.00 3.69 3.69 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 42 E 7.99 3.84 0.00 1.88 1.90 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 2.30 2.29 0.00 43 K 7.09 3.33 0.00 2.05 1.78 0.00 1.86 0.00 0.00 1.81 0.00 0.00 3.23 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.42 1.58 7.81 44 R 6.24 4.70 0.00 1.99 2.04 0.00 3.10 0.00 0.00 3.43 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.64 0.00 45 F 9.06 5.47 0.00 3.09 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 46 V 9.27 4.47 2.12 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 0.84 0.00 0.00 1.06 0.00 0.00 47 T 8.68 4.77 4.28 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 48 L 9.11 4.77 0.00 1.78 1.57 0.66 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 49 R 9.03 4.20 0.00 1.73 1.96 0.00 3.18 0.00 0.00 3.26 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 50 V 8.53 4.93 2.12 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 1.16 0.00 0.00 1.05 0.00 0.00 51 S 8.57 5.21 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 4.18 1.33 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 0.00 0.00 0.00 53 K 9.02 4.37 0.00 1.95 1.94 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.36 7.81 54 G 7.91 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 0.00 0.00 0.00 0.00 55 M 8.10 4.33 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.68 0.00 56 R 8.11 4.04 0.00 1.92 2.04 0.00 3.19 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 57 V 9.54 3.67 2.16 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 0.76 0.00 0.00 0.91 0.00 0.00 58 I 7.55 3.91 1.96 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.82 0.70 0.00 0.00 59 D 8.15 4.22 0.00 2.85 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 60 K 7.50 4.18 0.00 1.78 1.79 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.45 7.81 61 K 8.08 3.90 0.00 1.89 1.86 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.47 1.47 7.81 62 G 7.91 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 63 I 7.84 3.37 1.77 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 1.60 0.48 0.93 0.00 0.00 64 D 7.82 4.37 0.00 2.65 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 65 T 7.83 3.83 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 1.20 0.00 0.00 66 V 8.28 4.05 2.08 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 0.82 0.00 0.00 0.87 0.00 0.00 67 L 7.38 4.34 0.00 1.67 1.56 0.69 -0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.21 4.14 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 E 7.97 4.19 0.00 2.10 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 2.40 2.39 0.00 70 L 8.32 4.06 0.00 2.23 2.07 1.01 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 71 R 7.77 3.70 0.00 1.71 1.92 0.00 3.09 0.00 0.00 3.12 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.39 0.00 72 A 7.41 4.28 1.41 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 0.00 0.00 73 R 8.05 4.45 0.00 1.83 1.89 0.00 3.30 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 74 G 7.83 3.54 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 0.00 0.00 0.00 0.00 75 E 7.42 4.59 0.00 1.99 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 2.21 2.46 0.00 76 K 8.21 3.33 0.00 1.99 1.81 0.00 1.77 0.00 0.00 1.83 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.52 7.81 77 Y 8.63 4.05 0.00 3.18 3.09 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 0.00 0.00 0.00 0.00