NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4958 8.3049 120.3257 55.2216 33.6565 174.5582 2 N 4.8780 8.8673 119.3136 50.0688 42.3320 168.9332 3 V 3.8501 8.3401 121.8257 64.1284 33.0029 175.6837 4 G 4.0821 8.8686 115.8813 45.4360 0.0000 173.8330 5 D 4.5227 8.0055 120.2614 54.4385 42.1794 175.9298 6 R 4.7898 8.4643 121.1591 55.7790 31.9386 175.8701 7 V 4.8878 8.8882 115.3833 59.7736 36.8105 173.9652 8 R 4.9699 8.5900 122.9243 54.3769 33.0539 175.0822 9 V 3.9272 8.9773 127.1713 63.3152 31.6262 176.1263 10 T 4.3422 8.5429 119.0197 63.4452 70.3394 175.5724 11 S 4.5971 8.0383 117.7558 57.4365 65.0497 173.4631 12 S 4.7754 8.4583 116.6459 57.9381 63.0978 173.5451 13 V 4.3039 8.5384 126.5143 61.1476 34.1761 173.9348 14 V 4.4242 8.3921 128.6940 62.1181 32.2587 175.3527 15 V 4.7185 8.6171 120.4850 59.7405 35.7950 175.4499 16 Y 5.1435 8.8152 115.6559 57.6217 40.3051 176.4202 17 H 5.1685 8.5380 113.0855 55.3481 29.2277 173.4687 18 H 3.8408 8.0451 121.0231 55.3094 30.0916 174.2588 19 P 4.1777 0.0000 0.0000 65.3344 30.8816 176.5875 20 E 4.4498 8.1468 115.3034 56.4243 30.2641 175.4095 21 H 4.7293 8.1261 117.4523 54.2378 30.0584 173.3305 22 A 4.0904 8.1631 121.6664 53.9401 18.5440 178.8040 23 K 4.0958 9.0444 120.7077 57.0160 30.8235 175.6049 24 T 4.8147 7.9291 115.7364 61.0940 70.8184 174.0385 25 A 3.2474 8.6449 127.9069 52.1913 19.1015 176.4940 26 F 4.6644 8.7187 124.8958 56.4324 42.8090 173.2724 27 D 4.7062 8.0107 125.9418 53.5848 41.7440 175.8932 28 L 3.9456 8.4551 125.8702 55.1704 42.2489 176.5371 29 Q 4.1166 7.8842 120.4687 58.0972 29.0727 176.4477 30 G 4.0624 9.1834 114.2255 45.5379 0.0000 173.7622 31 M 4.4484 8.2296 119.6047 55.3762 33.2272 175.3396 32 E 5.2431 8.9748 120.6919 55.1033 32.8972 175.6588 33 G 3.6644 8.8710 109.3471 45.2638 0.0000 170.3378 34 E 5.0964 8.2028 119.8802 53.9132 32.7904 176.1852 35 V 4.0842 8.7400 127.1568 63.2223 31.8661 176.0751 36 A 4.4188 8.9312 130.1161 53.3062 20.3403 176.5109 37 A 4.3640 7.3692 114.0627 51.4150 22.6931 175.9305 38 V 4.7209 8.3118 119.1975 60.5273 33.2580 174.5234 39 L 4.1185 8.9059 128.1834 55.3886 41.4086 177.0470 40 T 4.5023 8.6479 115.7926 62.7687 70.3714 173.2345 41 G 4.3165 7.6429 106.5118 44.4613 0.0000 171.9447 42 W 4.5242 9.3104 130.3336 56.1648 32.3767 175.7674 43 Q 3.0492 9.2145 126.8573 56.9297 25.4756 175.1031 44 G 3.9134 8.1352 104.6466 45.6490 0.0000 173.7758 45 R 4.2813 7.9123 119.9337 54.2254 30.0296 174.2536 46 P 4.6310 0.0000 0.0000 63.1212 31.6623 176.2038 47 I 4.5345 8.8360 117.5477 59.4086 39.7173 175.1975 48 S 4.6853 8.2350 113.0565 57.4154 63.2576 174.0968 49 A 3.9514 8.3055 123.9006 54.0355 18.2376 177.9555 50 N 4.7866 8.7257 119.3206 52.9976 38.3757 175.7040 51 L 4.9020 7.3167 117.6664 52.9172 42.4282 174.2312 52 P 4.4247 0.0000 0.0000 65.3163 33.4899 177.7387 53 V 4.3427 8.2048 121.5653 62.1818 32.4711 174.8140 54 L 4.8290 9.0996 132.3196 53.8864 43.5340 175.1623 55 V 4.6833 8.9388 127.0024 60.9970 34.3237 174.1497 56 K 4.8903 8.7141 127.5310 55.0356 34.1489 175.7430 57 F 5.1355 9.3314 123.4782 55.3358 42.3139 174.3587 58 E 4.2806 8.9129 119.1720 57.1892 30.0404 177.1371 59 Q 3.4553 9.0398 114.9090 57.1092 26.1547 174.0807 60 R 3.8792 8.2238 112.7671 57.7776 27.7926 175.9732 61 F 5.2279 8.0328 117.8835 56.2964 42.5468 174.2395 62 K 5.1076 7.8530 122.9393 55.5649 35.9364 174.8900 63 A 4.6336 8.7738 121.0607 51.4149 23.0356 174.8411 64 H 5.3499 8.5311 116.4091 54.5432 30.9288 174.4347 65 F 5.1355 9.4687 119.7175 55.9222 44.0448 174.3358 66 R 4.7524 9.7929 119.3011 54.7003 31.4023 176.3770 67 P 4.3194 0.0000 0.0000 65.8031 31.4307 178.1456 68 D 4.5599 8.0365 115.0884 54.7900 39.9789 176.5748 69 E 4.9007 8.2356 118.8967 56.6023 30.1041 175.8749 70 V 4.9070 7.1664 110.4526 59.6333 35.6355 175.1319 71 T 4.6500 8.4996 118.2753 61.2657 72.1088 173.5114 72 L 4.2992 8.6873 128.0708 55.5428 42.8795 176.7162 73 I 4.1434 8.6535 126.2735 61.4149 36.9250 175.5361 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 8.30 4.50 0.00 2.02 2.07 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 2.56 0.00 2 N 8.87 4.88 0.00 3.13 2.63 0.00 0.00 6.52 6.80 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 3 V 8.34 3.85 2.07 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 0.81 0.00 0.00 0.92 0.00 0.00 4 G 8.87 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 D 8.01 4.52 0.00 2.70 2.56 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 0.00 0.00 0.00 0.00 6 R 8.46 4.79 0.00 1.78 1.79 0.00 3.10 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 7 V 8.89 4.89 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 0.64 0.00 0.00 0.74 0.00 0.00 8 R 8.59 4.97 0.00 1.85 1.72 0.00 3.09 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 9 V 8.98 3.93 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 1.03 0.00 0.00 0.97 0.00 0.00 10 T 8.54 4.34 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 11 S 8.04 4.60 0.00 3.91 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 12 S 8.46 4.78 0.00 3.87 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.54 4.30 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 0.90 0.00 0.00 1.24 0.00 0.00 14 V 8.39 4.42 2.07 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 0.61 0.00 0.00 0.86 0.00 0.00 15 V 8.62 4.72 2.38 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 0.77 0.00 0.00 1.11 0.00 0.00 16 Y 8.82 5.14 0.00 2.96 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 17 H 8.54 5.17 0.00 3.38 3.46 0.00 5.53 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 8.05 3.84 0.00 2.64 2.84 0.00 5.69 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.18 0.00 2.18 2.20 0.00 2.88 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.15 0.00 20 E 8.15 4.45 0.00 1.55 1.59 0.00 0.00 0.00 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 2.41 0.00 21 H 8.13 4.73 0.00 2.78 3.01 0.00 5.64 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 22 A 8.16 4.09 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 23 K 9.04 4.10 0.00 1.99 2.03 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.44 7.81 24 T 7.93 4.81 4.39 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 1.22 0.00 0.00 25 A 8.64 3.25 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.72 4.66 0.00 2.76 2.66 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 0.00 0.00 0.00 0.00 27 D 8.01 4.71 0.00 2.44 2.22 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 28 L 8.46 3.95 0.00 1.89 1.69 1.30 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 7.88 4.12 0.00 2.17 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.43 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 30 G 9.18 4.06 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 0.00 0.00 0.00 31 M 8.23 4.45 0.00 2.01 2.06 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 2.61 2.55 0.00 32 E 8.97 5.24 0.00 1.88 1.85 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 2.23 2.32 0.00 33 G 8.87 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.20 5.10 0.00 1.95 1.65 0.00 0.00 0.00 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 2.31 0.00 35 V 8.74 4.08 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 0.92 0.00 0.00 0.88 0.00 0.00 36 A 8.93 4.42 1.20 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 0.00 0.00 37 A 7.37 4.36 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 38 V 8.31 4.72 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 0.87 0.00 0.00 0.94 0.00 0.00 39 L 8.91 4.12 0.00 1.57 1.67 1.07 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.65 4.50 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 41 G 7.64 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 0.00 0.00 0.00 0.00 42 W 9.31 4.52 0.00 3.30 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 43 Q 9.21 3.05 0.00 1.30 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.56 0.00 0.00 0.00 0.00 0.00 1.76 1.32 0.00 44 G 8.14 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 0.00 0.00 0.00 45 R 7.91 4.28 0.00 2.19 2.00 0.00 3.50 0.00 0.00 3.32 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.93 0.00 46 P 0.00 4.63 0.00 2.06 2.05 0.00 3.68 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 47 I 8.84 4.53 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.66 1.03 0.00 0.00 48 S 8.23 4.69 0.00 3.96 3.95 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 0.00 0.00 0.00 49 A 8.31 3.95 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 50 N 8.73 4.79 0.00 2.85 2.93 0.00 0.00 6.00 7.79 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 51 L 7.32 4.90 0.00 1.58 1.50 0.86 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.42 0.00 2.15 2.39 0.00 3.86 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.00 0.00 53 V 8.20 4.34 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 0.92 0.00 0.00 0.99 0.00 0.00 54 L 9.10 4.83 0.00 1.69 1.63 0.72 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.94 4.68 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.84 0.00 0.00 56 K 8.71 4.89 0.00 1.60 1.65 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.32 7.81 57 F 9.33 5.14 0.00 3.16 3.19 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 0.00 0.00 0.00 0.00 58 E 8.91 4.28 0.00 2.16 1.99 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 2.48 2.45 0.00 59 Q 9.04 3.46 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.85 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 60 R 8.22 3.88 0.00 1.99 2.03 0.00 3.17 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 61 F 8.03 5.23 0.00 2.99 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 62 K 7.85 5.11 0.00 1.74 1.62 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.22 1.34 7.81 63 A 8.77 4.63 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 64 H 8.53 5.35 0.00 2.89 3.47 0.00 5.84 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 F 9.47 5.14 0.00 2.96 3.07 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 0.00 0.00 0.00 0.00 66 R 9.79 4.75 0.00 2.00 1.89 0.00 3.17 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.65 0.00 67 P 0.00 4.32 0.00 2.20 2.13 0.00 3.63 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 68 D 8.04 4.56 0.00 2.79 2.81 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 0.00 0.00 0.00 69 E 8.24 4.90 0.00 2.31 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 2.39 2.34 0.00 70 V 7.17 4.91 1.91 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 0.16 0.00 0.00 0.86 0.00 0.00 71 T 8.50 4.65 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 72 L 8.69 4.30 0.00 1.61 1.56 0.96 1.01 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 73 I 8.65 4.14 1.97 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 1.07 0.92 0.90 0.00 0.00