NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3339 8.2649 123.5830 51.8893 19.8206 177.0126 2 V 3.7284 8.2437 112.8578 62.8191 31.9714 175.9523 3 C 5.1772 7.6503 116.1903 53.9792 43.7995 171.4039 4 P 4.6083 0.0000 0.0000 62.1964 31.8938 176.1714 5 T 4.0012 8.2834 112.3801 62.9234 70.2531 173.7233 6 G 4.0966 8.4542 107.3843 44.0395 0.0000 175.0599 7 L 3.7777 9.0366 124.5868 57.6195 42.3690 177.7351 8 F 5.3542 7.7443 115.7593 56.5275 38.0854 176.0475 9 S 4.6531 7.6688 111.8585 57.7038 64.3913 173.9664 10 N 4.9713 8.1833 120.8344 50.9859 40.0877 172.3669 11 P 5.0581 0.0000 0.0000 62.7088 32.1379 175.7949 12 L 5.0148 9.7245 123.5827 53.2444 46.9593 174.7286 13 C 5.2398 9.6284 119.5707 55.9966 40.0951 172.3674 14 C 5.8365 9.2267 120.9536 53.7781 43.3367 175.3146 15 A 3.8820 8.5486 123.2540 55.5703 18.7129 177.3716 16 T 4.1420 7.4106 107.2552 61.8987 71.1910 172.0070 17 N 5.3561 8.2823 123.4255 50.4608 39.6201 171.5344 18 V 3.5505 8.6291 121.7978 64.0094 31.9814 175.9700 19 L 3.6542 9.4053 124.8743 55.3811 39.2018 174.0431 20 D 4.5465 8.8558 115.6579 55.3664 39.0188 174.7498 21 L 4.7939 8.4336 118.8818 54.9289 46.2911 176.3053 22 I 4.8795 7.8028 119.9514 59.3331 39.8110 175.2250 23 G 4.1512 9.2339 116.3446 45.5831 0.0000 172.3220 24 V 4.5893 8.4964 125.3904 61.3673 34.4017 175.0055 25 D 4.5735 8.3370 123.8022 55.6352 38.3232 174.1537 26 C 5.0130 7.8574 114.3658 56.6975 37.0095 175.1324 27 K 4.8245 9.2421 121.2380 54.7497 36.2718 175.8581 28 T 4.3832 8.5957 118.6330 61.1698 68.1902 172.4097 29 P 4.5532 0.0000 0.0000 63.3137 31.8823 176.4154 30 T 4.4634 8.7865 111.0082 61.3045 69.2638 173.5591 31 I 4.5967 7.0113 114.1083 58.7673 40.9399 174.3258 32 A 4.1687 8.3025 123.3580 52.0890 18.7377 178.2662 33 V 4.2653 7.9335 115.3508 59.5959 31.8137 175.0822 34 D 4.7955 8.2861 120.2083 54.0850 41.8070 177.2131 35 T 4.8429 7.4293 110.1294 58.9327 73.0377 174.7341 36 G 3.7963 8.9384 109.8749 48.1507 0.0000 175.8146 37 A 4.0578 7.9918 122.4035 55.0974 18.4768 179.6862 38 I 3.7547 7.8239 118.2090 64.2231 37.2023 178.2823 39 F 4.4710 8.5612 121.8207 61.6756 39.2724 176.9814 40 Q 3.7379 8.3705 118.8853 59.0470 28.5930 178.1019 41 A 3.9348 7.9310 120.9099 55.1859 18.8338 178.8486 42 H 4.2902 8.7285 117.1519 59.8537 29.9902 176.8946 43 C 4.2310 8.3572 117.9957 59.9519 35.2019 176.0757 44 A 3.7693 7.8906 122.7224 54.9660 17.7146 179.7392 45 S 4.2818 7.7155 111.3211 60.6942 62.9782 175.8418 46 K 4.4222 7.6629 119.7609 55.2724 32.1837 176.5129 47 G 3.8395 8.3349 107.1735 46.3318 0.0000 173.3887 48 S 4.8719 8.1292 115.2458 56.3280 66.3616 173.2658 49 K 4.8462 9.0904 119.9098 54.0704 35.3476 174.2403 50 P 4.4112 0.0000 0.0000 62.3114 32.4950 175.0307 51 L 5.2568 9.1934 124.0095 52.9734 46.6205 174.7148 52 C 5.5574 9.6407 118.9553 55.7873 41.2634 172.7228 53 C 5.8767 9.3979 120.8432 54.9016 43.6526 175.5938 54 V 4.2955 8.8063 112.7113 63.2421 31.2450 177.1802 55 A 4.6991 7.8089 122.6366 49.5273 21.8194 174.4762 56 P 4.5602 0.0000 0.0000 63.6138 31.6721 176.4918 57 V 4.0386 7.2880 112.6264 60.6466 32.9111 177.0993 58 A 4.4993 8.3460 129.9636 50.9738 16.8940 174.8591 59 D 4.5849 7.1440 120.7728 53.4728 43.1807 178.9720 60 Q 4.7097 7.4059 119.7756 53.5039 32.4903 175.0401 61 A 4.8425 8.5867 120.1660 52.2457 19.0888 176.8694 62 L 4.7710 8.2191 119.7607 53.7550 45.1840 174.7544 63 L 4.7734 8.5203 121.4422 55.6124 42.8705 176.2726 64 C 5.8180 9.3635 123.2232 55.7181 43.1907 173.1953 65 Q 4.5018 8.8076 117.2263 53.8489 33.1122 174.7549 66 K 4.1115 8.5704 123.5673 56.4983 32.8629 176.1939 67 A 4.1673 8.3779 129.8268 51.8603 18.7562 177.0905 68 I 3.3909 8.7138 122.6535 62.7838 38.7199 175.4521 69 G 3.9168 8.7339 114.3157 47.2992 0.0000 172.0874 70 T 4.8959 7.2913 106.3213 58.7129 72.5592 174.1223 71 F 4.3060 9.4595 115.9333 57.3231 37.5201 175.4486 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 4.33 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.24 3.73 2.28 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 0.79 0.00 0.00 0.62 0.00 0.00 3 C 7.65 5.18 0.00 2.92 3.20 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 0.00 0.00 0.00 0.00 4 P 0.00 4.61 0.00 2.29 2.23 0.00 3.95 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.04 0.00 5 T 8.28 4.00 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 6 G 8.45 4.10 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 0.00 0.00 0.00 7 L 9.04 3.78 0.00 1.52 1.37 0.61 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 8 F 7.74 5.35 0.00 3.12 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 9 S 7.67 4.65 0.00 3.98 4.16 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 10 N 8.18 4.97 0.00 2.87 2.81 0.00 0.00 6.70 8.10 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 11 P 0.00 5.06 0.00 1.33 1.61 0.00 3.66 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 1.83 1.76 0.00 12 L 9.72 5.01 0.00 1.63 1.62 1.03 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 13 C 9.63 5.24 0.00 2.99 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 14 C 9.23 5.84 0.00 2.85 3.20 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 0.00 0.00 0.00 0.00 15 A 8.55 3.88 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 16 T 7.41 4.14 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 1.22 0.00 0.00 17 N 8.28 5.36 0.00 2.82 2.60 0.00 0.00 6.45 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 18 V 8.63 3.55 2.17 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 0.92 0.00 0.00 0.93 0.00 0.00 19 L 9.41 3.65 0.00 1.81 1.70 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.86 4.55 0.00 2.74 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 21 L 8.43 4.79 0.00 1.50 1.64 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.80 4.88 1.88 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 1.30 0.62 0.93 0.00 0.00 23 G 9.23 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.50 4.59 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 0.97 0.00 0.00 0.99 0.00 0.00 25 D 8.34 4.57 0.00 2.88 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 26 C 7.86 5.01 0.00 2.89 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 27 K 9.24 4.82 0.00 1.62 1.65 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.39 7.81 28 T 8.60 4.38 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 1.24 0.00 0.00 29 P 0.00 4.55 0.00 2.07 2.06 0.00 3.73 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.26 0.00 30 T 8.79 4.46 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 1.25 0.00 0.00 31 I 7.01 4.60 1.80 0.00 0.00 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 0.79 0.56 0.86 0.00 0.00 32 A 8.30 4.17 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 33 V 7.93 4.27 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 0.81 0.00 0.00 0.52 0.00 0.00 34 D 8.29 4.80 0.00 2.64 2.67 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 0.00 0.00 0.00 0.00 35 T 7.43 4.84 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 1.23 0.00 0.00 36 G 8.94 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 0.00 0.00 0.00 37 A 7.99 4.06 1.35 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 38 I 7.82 3.75 2.05 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 1.43 0.60 0.95 0.00 0.00 39 F 8.56 4.47 0.00 3.13 3.23 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 40 Q 8.37 3.74 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 41 A 7.93 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 42 H 8.73 4.29 0.00 3.34 3.65 0.00 5.80 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 C 8.36 4.23 0.00 2.86 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 44 A 7.89 3.77 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 45 S 7.72 4.28 0.00 4.05 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 46 K 7.66 4.42 0.00 1.88 1.84 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.33 1.39 7.81 47 G 8.33 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 48 S 8.13 4.87 0.00 3.80 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 49 K 9.09 4.85 0.00 1.73 1.96 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.88 1.48 7.81 50 P 0.00 4.41 0.00 0.69 0.94 0.00 4.04 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 2.00 1.85 0.00 51 L 9.19 5.26 0.00 1.62 1.68 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 52 C 9.64 5.56 0.00 2.89 3.39 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 53 C 9.40 5.88 0.00 2.87 3.22 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 54 V 8.81 4.30 1.97 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 0.57 0.00 0.00 0.93 0.00 0.00 55 A 7.81 4.70 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 56 P 0.00 4.56 0.00 2.20 2.42 0.00 3.76 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 57 V 7.29 4.04 2.34 0.00 0.00 0.00 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 0.94 0.00 0.00 58 A 8.35 4.50 1.37 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 0.00 0.00 0.00 59 D 7.14 4.58 0.00 2.68 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 60 Q 7.41 4.71 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.95 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 61 A 8.59 4.84 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 62 L 8.22 4.77 0.00 1.71 1.76 0.98 0.37 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 63 L 8.52 4.77 0.00 1.87 1.77 0.99 0.87 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 64 C 9.36 5.82 0.00 3.00 2.97 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 65 Q 8.81 4.50 0.00 1.13 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.97 0.00 0.00 0.00 0.00 0.00 1.92 1.46 0.00 66 K 8.57 4.11 0.00 1.62 1.60 0.00 1.54 0.00 0.00 1.56 0.00 0.00 2.59 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.31 1.27 7.81 67 A 8.38 4.17 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 68 I 8.71 3.39 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 1.36 0.74 0.96 0.00 0.00 69 G 8.73 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 0.00 0.00 0.00 70 T 7.29 4.90 4.67 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 0.00 0.00 0.00 1.37 0.00 0.00 71 F 9.46 4.31 0.00 3.20 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