NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4694 0.0000 0.0000 62.6484 33.7077 174.4146 2 H 5.1882 8.7633 121.4636 54.1250 31.9947 171.2750 3 I 4.4438 8.7435 127.3936 59.4546 40.0823 173.5002 4 D 5.2664 8.6921 126.3482 52.4436 43.5014 174.8547 5 I 4.5560 8.8393 127.0517 59.5451 39.7445 174.5364 6 K 5.3937 8.7975 126.7637 54.9244 34.3623 175.2921 7 C 4.6527 8.8816 117.9836 56.8505 33.4972 173.3362 8 F 5.5877 8.1097 117.8722 56.3381 39.3420 173.8399 9 P 4.8677 0.0000 0.0000 63.1646 31.7298 176.0265 10 R 4.5318 8.9807 120.8648 55.3686 32.4084 175.2519 11 E 4.1570 8.6055 115.7371 55.6887 29.8334 177.5923 12 L 4.8577 8.2584 124.3280 51.3927 45.0589 176.9237 13 D 4.7662 9.2977 125.2373 52.2130 42.5057 177.1025 14 E 4.0395 8.6749 120.4001 60.1908 29.3505 180.1569 15 Q 4.0294 8.0987 120.3509 60.3566 28.2825 180.9231 16 Q 4.2331 8.7177 120.5134 58.7001 28.6437 179.0423 17 K 4.0040 8.3198 119.4463 59.3811 32.0635 179.3212 18 A 3.9685 8.2890 120.9997 55.0131 18.2549 179.6065 19 A 3.9329 8.1673 119.4289 54.9829 18.4270 179.5445 20 L 3.8376 8.0271 118.6669 58.3882 42.1275 179.0803 21 A 3.9807 8.2866 120.6294 55.0942 18.2909 179.4549 22 A 3.9303 8.2005 119.2959 55.5097 18.5899 179.6859 23 D 4.3440 8.1527 117.4449 57.3672 40.8525 179.0536 24 I 3.7154 7.9420 120.4441 64.6395 37.0387 178.4162 25 T 3.8598 8.1290 116.7925 66.8309 68.3383 176.0317 26 D 4.2999 8.1710 119.7191 57.3135 41.2288 178.4420 27 V 3.6651 7.7006 118.2596 66.1177 31.4602 178.1436 28 I 3.7591 7.9581 119.5715 64.2784 36.6970 178.3473 29 I 3.6921 7.9938 120.8983 64.7457 36.7917 178.8110 30 R 3.9249 7.9078 117.1711 59.0579 29.9253 178.1074 31 H 4.5978 8.2989 114.6973 56.5395 29.3428 176.0011 32 L 4.5231 7.9280 117.9013 53.5652 42.4446 175.8314 33 N 4.1913 7.6104 114.9345 54.4639 36.3018 173.9437 34 S 4.7088 7.7544 112.1973 57.2398 65.4657 174.1101 35 K 4.6589 7.7275 120.3033 54.3596 34.6622 177.1414 36 D 4.3678 8.9020 122.2594 57.5597 41.1303 178.9854 37 S 4.2281 8.0721 111.8424 60.6635 62.9991 174.8766 38 S 4.4377 7.8830 114.0282 58.7345 63.4740 173.6937 39 I 4.7605 7.5072 123.3887 60.0391 38.1240 175.3170 40 S 4.9367 8.9546 121.2451 56.6402 66.3603 173.1875 41 I 5.0541 8.2779 121.2445 59.8462 40.7441 174.1773 42 A 4.8249 9.0847 129.0313 50.0446 21.8596 175.1885 43 L 5.0497 8.4897 122.1897 53.4676 44.9170 175.5386 44 Q 4.6930 9.3779 126.2959 54.2305 31.5159 174.7751 45 Q 4.9583 8.8393 123.8766 55.0985 30.2328 175.2460 46 I 4.6717 9.1592 125.6437 59.2175 40.0784 175.7744 47 Q 4.2615 8.8131 125.9433 55.2246 29.6061 175.6586 48 P 3.5775 0.0000 0.0000 65.5648 31.4212 178.7551 49 E 4.0360 8.0545 116.1225 58.7872 29.8317 177.6590 50 S 4.7446 8.2961 113.9369 58.1492 63.4072 175.7857 51 W 4.4471 8.3729 133.1789 60.3228 30.2565 177.7022 52 Q 4.1249 8.4969 119.2344 59.3655 28.3859 178.2880 53 A 3.9995 7.7629 120.3137 55.0408 18.2592 179.7654 54 I 3.4553 7.2902 118.0666 63.8929 37.0925 178.0332 55 W 3.9556 7.9058 129.2127 60.7520 30.3208 177.8370 56 D 4.3711 8.3602 117.3276 57.0194 40.3416 178.0016 57 A 4.2526 7.8948 119.9230 53.4519 19.1820 178.1418 58 E 4.3143 7.9993 115.0906 57.9927 31.3683 178.3444 59 I 3.6244 7.0970 118.7591 63.8759 37.4724 177.9356 60 A 3.4103 7.0501 121.5879 54.7062 17.9791 178.0459 61 P 4.2023 0.0000 0.0000 64.8867 31.6680 177.8190 62 Q 4.3840 7.3133 115.3653 55.8258 28.9011 176.8272 63 M 3.8929 7.7294 122.8727 58.7246 31.9468 178.1186 64 E 3.9903 8.2200 114.8343 58.2473 29.7801 177.0178 65 A 4.6139 8.0218 119.9643 51.2816 20.7573 176.3569 66 L 4.0047 7.1890 115.3983 55.1718 42.0426 177.7627 67 I 3.9112 8.2139 115.2787 62.3041 38.2310 175.9004 68 K 4.3806 7.5924 121.7220 54.7277 34.1625 175.4399 69 K 4.2785 8.4884 126.2574 54.8429 33.0246 175.3427 70 P 4.4511 0.0000 0.0000 63.1009 31.7775 176.0878 71 G 4.1160 8.6519 107.7952 45.4466 0.0000 172.6746 72 Y 4.9968 7.3020 116.5245 54.8969 41.2733 174.2576 73 S 4.4172 8.4103 113.5772 56.9046 65.8222 173.6811 74 M 4.4482 5.8600 121.6186 54.6820 33.0095 175.3605 75 N 4.5957 8.1253 116.1489 53.2961 39.4339 175.3958 76 A 4.3328 8.6124 124.8818 52.2711 19.3584 175.7985 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 P 0.00 4.47 0.00 2.10 2.04 0.00 3.51 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 2 H 8.76 5.19 0.00 3.17 3.19 0.00 5.88 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 I 8.74 4.44 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.47 0.89 0.00 0.00 4 D 8.69 5.27 0.00 2.65 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.84 4.56 1.90 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 1.24 0.49 0.95 0.00 0.00 6 K 8.80 5.39 0.00 1.80 2.04 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.67 7.81 7 C 8.88 4.65 0.00 2.90 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 8 F 8.11 5.59 0.00 2.75 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 9 P 0.00 4.87 0.00 1.94 2.01 0.00 3.69 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.13 0.00 10 R 8.98 4.53 0.00 1.88 1.86 0.00 3.47 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 11 E 8.61 4.16 0.00 2.01 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 0.00 2.23 1.90 0.00 12 L 8.26 4.86 0.00 1.57 1.57 0.93 1.12 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 13 D 9.30 4.77 0.00 2.91 2.83 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 0.00 0.00 0.00 14 E 8.67 4.04 0.00 2.00 2.04 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 2.40 2.32 0.00 15 Q 8.10 4.03 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.02 0.00 16 Q 8.72 4.23 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 17 K 8.32 4.00 0.00 1.94 1.86 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.47 1.65 7.81 18 A 8.29 3.97 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 19 A 8.17 3.93 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.03 3.84 0.00 1.79 1.92 0.92 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 21 A 8.29 3.98 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 22 A 8.20 3.93 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.15 4.34 0.00 2.73 2.73 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 24 I 7.94 3.72 1.99 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 1.71 0.91 0.91 0.00 0.00 25 T 8.13 3.86 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 1.24 0.00 0.00 26 D 8.17 4.30 0.00 2.81 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 27 V 7.70 3.67 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 0.97 0.00 0.00 0.98 0.00 0.00 28 I 7.96 3.76 1.88 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 1.74 0.76 0.92 0.00 0.00 29 I 7.99 3.69 2.02 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 1.67 0.86 0.96 0.00 0.00 30 R 7.91 3.92 0.00 1.77 1.90 0.00 3.12 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 31 H 8.30 4.60 0.00 3.24 3.35 0.00 5.62 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.93 4.52 0.00 1.74 1.67 0.93 1.35 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 33 N 7.61 4.19 0.00 2.84 2.87 0.00 0.00 6.86 7.35 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 34 S 7.75 4.71 0.00 3.86 3.80 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 35 K 7.73 4.66 0.00 1.78 1.67 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.48 7.81 36 D 8.90 4.37 0.00 2.67 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.07 4.23 0.00 4.02 3.99 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 0.00 0.00 0.00 38 S 7.88 4.44 0.00 4.03 4.02 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 39 I 7.51 4.76 2.00 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 1.29 0.73 0.92 0.00 0.00 40 S 8.95 4.94 0.00 3.94 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 41 I 8.28 5.05 1.87 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 1.26 0.64 0.90 0.00 0.00 42 A 9.08 4.82 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.49 5.05 0.00 1.62 1.56 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 9.38 4.69 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.68 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 45 Q 8.84 4.96 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.69 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 46 I 9.16 4.67 2.47 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 1.20 0.00 0.00 47 Q 8.81 4.26 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.86 0.00 0.00 0.00 0.00 0.00 2.47 2.33 0.00 48 P 0.00 3.58 0.00 1.78 1.01 0.00 3.35 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.17 0.00 49 E 8.05 4.04 0.00 1.93 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 2.29 2.34 0.00 50 S 8.30 4.74 0.00 4.06 3.92 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 0.00 0.00 0.00 51 W 8.37 4.45 0.00 3.77 3.29 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 52 Q 8.50 4.12 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.49 2.75 0.00 53 A 7.76 4.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.29 3.46 0.68 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.32 0.22 0.00 0.00 55 W 7.91 3.96 0.00 3.56 3.29 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 56 D 8.36 4.37 0.00 2.71 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 57 A 7.89 4.25 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 58 E 8.00 4.31 0.00 1.86 1.84 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 2.11 2.32 0.00 59 I 7.10 3.62 1.09 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.59 0.36 0.00 0.00 60 A 7.05 3.41 0.79 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 0.00 0.00 61 P 0.00 4.20 0.00 1.93 2.04 0.00 3.31 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 62 Q 7.31 4.38 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.75 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 63 M 7.73 3.89 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.57 0.00 64 E 8.22 3.99 0.00 2.08 2.05 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 2.23 2.28 0.00 65 A 8.02 4.61 1.21 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 0.00 0.00 66 L 7.19 4.00 0.00 1.72 1.73 0.78 0.73 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 67 I 8.21 3.91 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.51 0.89 0.00 0.00 68 K 7.59 4.38 0.00 1.67 1.69 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.45 7.81 69 K 8.49 4.28 0.00 1.77 1.69 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.39 7.81 70 P 0.00 4.45 0.00 1.58 1.90 0.00 3.67 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.85 0.00 71 G 8.65 4.12 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 0.00 72 Y 7.30 5.00 0.00 3.01 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 73 S 8.41 4.42 0.00 3.92 3.85 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 74 M 5.86 4.45 0.00 1.48 0.61 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 75 N 8.13 4.60 0.00 2.78 2.88 0.00 0.00 6.92 7.35 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 76 A 8.61 4.33 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