NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3946 8.1627 120.6051 55.9349 34.6130 174.2069 2 Q 4.4357 7.9976 121.0060 53.8526 31.6400 171.5817 3 I 4.4419 8.7777 121.5390 59.4585 41.1154 173.9964 4 F 5.4531 9.0380 121.3631 55.7990 42.4084 175.1215 5 V 4.7254 8.8333 121.0532 61.2471 34.6597 174.5488 6 K 4.8708 9.9223 131.5927 54.5523 32.1362 177.0267 7 T 4.4007 8.0270 118.3447 61.6435 68.7823 174.0528 8 L 4.3697 8.4091 119.7280 56.0603 42.1179 177.3851 9 T 4.1746 7.4820 108.6977 61.7913 69.4508 175.5318 10 G 3.9926 8.3159 109.7719 45.2469 0.0000 173.6578 11 K 4.4681 7.8557 119.1109 56.1905 34.2550 175.9344 12 T 5.2563 8.2310 116.0111 62.4132 72.8734 173.9874 13 I 4.5453 9.1176 119.3875 59.6637 41.0923 174.0276 14 T 5.1395 8.4275 117.6762 61.7910 71.6005 174.0125 15 L 4.7509 8.5711 124.5853 52.8155 45.6464 175.3117 16 E 4.4205 8.7993 124.9343 56.2156 30.5369 175.8443 17 V 4.6191 7.8332 117.6998 60.4740 36.3237 173.6290 18 E 4.8518 9.0857 119.4204 54.1816 32.9573 175.9131 19 P 4.3584 0.0000 0.0000 65.1352 31.3715 177.4816 20 S 4.6131 7.7480 113.0637 58.0477 63.7025 173.6085 21 D 4.3422 8.3109 123.2118 54.5300 40.9571 176.5853 22 T 4.4674 8.4888 115.0169 61.7287 70.7861 175.1543 23 I 3.7548 8.7854 123.3290 64.5213 37.0801 178.5090 24 E 3.9786 8.1443 119.3497 59.6890 29.3111 179.2532 25 N 4.3362 7.8142 116.2535 56.1770 38.5999 177.5606 26 V 3.5318 7.5260 119.0819 65.9838 31.6472 178.0184 27 K 4.0925 8.6305 119.6246 58.9876 31.7282 179.1525 28 A 4.0417 7.8633 119.3755 55.0839 18.2169 179.5444 29 K 4.0788 8.0204 117.1892 59.6253 32.0428 179.5986 30 I 3.8178 7.7099 120.0448 63.9278 37.1576 177.9416 31 Q 4.1329 8.0180 120.1369 58.4728 28.6138 177.4729 32 D 4.4602 7.5787 118.9874 56.1474 41.1969 177.6735 33 K 4.4815 7.9317 115.6607 56.3291 33.4822 176.4075 34 E 4.5172 8.2940 117.2166 54.5250 31.6006 178.0969 35 G 3.9976 8.0552 105.0908 45.6571 0.0000 173.9846 36 I 3.8091 7.3300 120.9130 60.4068 37.3730 174.3521 37 P 4.3789 0.0000 0.0000 61.8452 32.1621 175.2021 38 P 4.2193 0.0000 0.0000 65.9499 31.2453 178.1090 39 D 4.4944 8.1717 113.2691 55.0826 39.1951 176.3145 40 Q 4.8582 8.4374 118.4839 55.5851 31.4241 174.8496 41 Q 5.1124 8.4852 118.6871 54.3582 31.6249 174.7640 42 R 4.6050 8.8449 120.7200 54.4748 33.2673 174.5296 43 L 5.0190 8.4983 123.8327 53.3596 43.8525 175.3532 44 I 5.0235 8.5144 124.7538 59.5270 40.4264 174.6256 45 F 5.1056 9.6859 127.9389 57.4493 42.9641 173.8939 46 A 3.3777 8.8228 128.2929 53.9267 15.5416 176.3331 47 G 4.0389 7.8328 103.6202 45.4655 0.0000 172.0716 48 K 4.5191 8.2440 118.2290 54.1056 34.8507 174.8005 49 Q 4.7870 8.3951 123.8486 54.7361 29.9002 174.9798 50 L 3.7760 8.5962 128.0554 54.5742 42.7017 176.2843 51 E 4.4697 9.1322 123.3024 56.0047 31.4685 177.8439 52 D 4.1788 8.4047 123.8127 57.0850 41.9598 179.2081 53 G 3.6066 8.0936 108.0555 48.7874 0.0000 173.7673 54 R 4.2810 7.9286 118.7071 56.2633 31.2081 175.6583 55 T 5.0441 8.0089 109.2868 59.6229 72.1284 174.7761 56 L 4.1386 8.6154 121.9675 58.3911 42.2744 180.4998 57 S 4.0675 8.7428 113.6443 61.5691 63.1289 176.0524 58 D 3.8224 7.2749 119.8098 56.4789 40.5668 177.3862 59 Y 4.7042 7.1400 114.2240 58.9494 38.7871 175.7994 60 N 4.1038 8.5977 116.4313 54.9760 37.7353 176.3388 61 I 4.2807 7.6764 122.9349 59.4130 36.2584 176.2428 62 Q 4.1438 8.0071 122.6390 55.0722 29.7744 176.4742 63 K 3.8695 8.3169 118.6288 57.7615 32.8088 177.8275 64 E 3.6703 8.7753 117.7519 56.6348 29.8165 174.0382 65 S 4.4875 7.5101 114.2691 59.9715 64.2955 173.2224 66 T 5.2505 8.3754 115.8310 62.0848 71.8689 173.8120 67 L 4.9068 9.5456 125.5006 53.2139 46.1536 175.0036 68 H 5.3227 8.7324 118.6219 54.0708 31.0834 173.3815 69 L 4.7262 8.4918 126.3416 54.4288 43.2249 176.0880 70 V 4.4796 8.4668 124.7079 60.7068 34.7617 174.5081 71 L 4.4801 8.7300 129.7207 55.3640 42.9881 175.8881 72 R 4.6578 8.9914 124.8493 54.6431 32.5075 174.4037 73 L 4.9984 8.6773 125.3250 53.2391 45.0787 176.2026 74 R 4.6748 8.1880 115.5187 55.5928 29.6773 175.3564 75 G 3.7338 8.2944 112.8571 46.9054 0.0000 174.3638 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 4.39 0.00 2.21 1.96 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.46 0.00 2 Q 8.00 4.44 0.00 2.08 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.63 0.00 0.00 0.00 0.00 0.00 1.89 2.36 0.00 3 I 8.78 4.44 1.68 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.35 0.73 0.00 0.00 4 F 9.04 5.45 0.00 3.08 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 5 V 8.83 4.73 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 0.96 0.00 0.00 0.93 0.00 0.00 6 K 9.92 4.87 0.00 2.00 1.98 0.00 1.74 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.30 7.81 7 T 8.03 4.40 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 1.30 0.00 0.00 8 L 8.41 4.37 0.00 1.66 1.75 0.93 0.85 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 9 T 7.48 4.17 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 8.32 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 0.00 0.00 0.00 11 K 7.86 4.47 0.00 1.72 1.78 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.57 7.81 12 T 8.23 5.26 4.20 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 1.32 0.00 0.00 13 I 9.12 4.55 1.91 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 0.74 0.98 0.00 0.00 14 T 8.43 5.14 4.32 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 1.15 0.00 0.00 15 L 8.57 4.75 0.00 1.44 1.45 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.80 4.42 0.00 1.92 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 2.25 2.36 0.00 17 V 7.83 4.62 2.14 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 0.64 0.00 0.00 0.84 0.00 0.00 18 E 9.09 4.85 0.00 1.89 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 0.00 2.19 2.24 0.00 19 P 0.00 4.36 0.00 2.20 2.30 0.00 3.65 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 2.06 1.98 0.00 20 S 7.75 4.61 0.00 3.85 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 8.31 4.34 0.00 2.83 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 8.49 4.47 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 1.28 0.00 0.00 23 I 8.79 3.75 2.18 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.05 0.93 0.00 0.00 24 E 8.14 3.98 0.00 2.02 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 2.39 2.52 0.00 25 N 7.81 4.34 0.00 2.92 2.86 0.00 0.00 6.68 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 26 V 7.53 3.53 2.24 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 0.99 0.00 0.00 0.99 0.00 0.00 27 K 8.63 4.09 0.00 2.02 1.86 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.65 1.48 7.81 28 A 7.86 4.04 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 29 K 8.02 4.08 0.00 2.00 1.85 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.72 7.81 30 I 7.71 3.82 2.01 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 1.40 0.82 0.92 0.00 0.00 31 Q 8.02 4.13 0.00 2.20 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 32 D 7.58 4.46 0.00 2.86 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 7.93 4.48 0.00 1.71 1.84 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.50 7.81 34 E 8.29 4.52 0.00 2.11 1.92 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 2.28 2.37 0.00 35 G 8.06 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 0.00 0.00 0.00 36 I 7.33 3.81 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 0.66 0.91 0.00 0.00 37 P 0.00 4.38 0.00 2.18 1.97 0.00 3.77 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.11 0.00 38 P 0.00 4.22 0.00 2.17 2.12 0.00 3.61 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 39 D 8.17 4.49 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 8.44 4.86 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 41 Q 8.49 5.11 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.54 2.33 0.00 42 R 8.84 4.60 0.00 1.87 1.85 0.00 3.33 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 43 L 8.50 5.02 0.00 1.57 1.55 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.51 5.02 1.93 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 1.13 0.97 0.98 0.00 0.00 45 F 9.69 5.11 0.00 2.86 2.76 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 0.00 0.00 0.00 0.00 46 A 8.82 3.38 0.69 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 0.00 0.00 47 G 7.83 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 48 K 8.24 4.52 0.00 1.82 1.59 0.00 1.67 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.47 7.81 49 Q 8.40 4.79 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.93 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 50 L 8.60 3.78 0.00 1.47 1.43 0.80 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.13 4.47 0.00 2.07 1.92 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 2.32 2.48 0.00 52 D 8.40 4.18 0.00 2.75 2.63 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 53 G 8.09 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 4.28 0.00 2.04 1.58 0.00 2.97 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 55 T 8.01 5.04 4.34 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 1.25 0.00 0.00 56 L 8.62 4.14 0.00 1.82 1.76 0.92 0.97 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 57 S 8.74 4.07 0.00 3.98 4.30 0.00 0.00 0.00 0.00 0.00 0.00 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 7.27 3.82 0.00 2.53 2.39 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 59 Y 7.14 4.70 0.00 3.07 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 60 N 8.60 4.10 0.00 2.74 3.05 0.00 0.00 6.97 7.82 0.00 0.00 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 7.68 4.28 1.92 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.05 0.52 0.00 0.00 62 Q 8.01 4.14 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.99 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 63 K 8.32 3.87 0.00 1.86 1.93 0.00 1.61 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.43 7.81 64 E 8.78 3.67 0.00 2.08 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 0.00 2.34 2.63 0.00 65 S 7.51 4.49 0.00 3.68 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 66 T 8.38 5.25 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 1.26 0.00 0.00 67 L 9.55 4.91 0.00 1.53 1.47 0.79 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.73 5.32 0.00 3.12 3.18 0.00 5.61 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.49 4.73 0.00 1.70 1.57 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.47 4.48 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 0.95 0.00 0.00 71 L 8.73 4.48 0.00 1.68 1.56 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.99 4.66 0.00 1.77 1.82 0.00 3.42 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 73 L 8.68 5.00 0.00 1.63 1.52 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.19 4.67 0.00 1.85 1.93 0.00 3.19 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 75 G 8.29 3.73 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 0.00 0.00 0.00