NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4686 8.1633 118.3247 55.3757 33.6008 173.5448 2 Q 5.4269 8.4487 117.5581 51.8353 31.3842 173.3764 3 I 4.5121 8.5122 115.7701 59.0288 42.3577 173.3590 4 F 5.3554 8.8753 121.3189 55.6947 42.3267 174.7031 5 V 4.7916 9.0754 122.7057 61.1915 34.2019 174.2848 6 K 5.1755 9.1789 128.1443 55.1553 34.6739 175.8038 7 T 4.9445 8.2585 113.3638 59.5015 71.6963 174.9995 8 L 3.9593 8.6740 123.5890 58.4581 42.0347 178.1048 9 T 3.9541 7.7589 106.2330 62.8822 68.8476 175.0065 10 G 3.9426 8.1272 111.0765 44.9618 0.0000 173.7004 11 K 4.1557 7.7418 121.6486 56.3047 32.8843 175.3156 12 T 5.0127 8.3552 121.4552 61.9809 70.6276 173.5458 13 I 4.4461 9.0367 128.0276 60.0525 39.2995 174.7175 14 T 4.9603 8.5893 123.9996 62.1823 69.9206 174.1723 15 L 4.8009 8.6392 125.8978 52.8943 45.5459 175.2634 16 E 4.8808 8.6158 121.2611 55.1638 30.7780 175.5966 17 V 4.7203 8.8517 117.4835 59.9778 36.5569 174.2094 18 E 4.7588 8.7716 118.9804 53.9806 33.2213 176.0086 19 P 4.1809 0.0000 0.0000 65.5909 31.5419 178.2762 20 S 4.4356 7.8936 110.0017 58.7579 63.7751 174.0831 21 D 4.5477 8.0564 123.4665 54.6339 41.3168 176.2203 22 T 4.7066 8.9016 114.5468 61.1275 71.3218 176.1945 23 I 3.8209 8.7731 125.6732 65.1112 37.0207 179.3840 24 E 4.0014 8.1696 119.1602 61.1355 29.5328 182.0967 25 N 4.5413 8.1277 117.4559 56.1697 38.6034 177.7350 26 V 3.5804 7.7822 119.6714 65.9754 31.5707 178.3138 27 K 4.3324 8.6020 119.5322 58.8244 31.8575 179.2288 28 A 3.9881 8.1001 121.2326 55.0645 18.1230 179.8787 29 K 3.9850 8.0664 117.1181 59.5594 32.0356 179.7315 30 I 3.7464 7.8169 120.2964 64.2580 36.9988 178.2031 31 Q 4.0792 8.3361 120.6630 59.3081 28.6461 178.0196 32 D 4.4266 7.9999 118.9985 57.1936 40.9165 178.3992 33 K 4.2698 7.7398 117.5717 57.6640 32.5006 177.4079 34 E 4.4940 8.4959 115.8329 55.0716 31.3211 177.0409 35 G 3.8892 8.6169 107.1275 45.3232 0.0000 173.4922 36 I 4.0656 7.4536 121.1417 59.3619 37.7920 174.1312 37 P 4.4276 0.0000 0.0000 61.9228 32.1380 175.3671 38 P 4.2623 0.0000 0.0000 65.8943 31.4024 178.4402 39 D 4.3984 8.0900 116.0095 55.9682 39.4671 176.9344 40 Q 4.3111 8.2500 117.4294 56.1599 29.3454 174.6012 41 Q 4.8090 7.9673 118.9598 54.3188 30.9782 174.5649 42 R 4.6177 8.7556 124.0501 54.6119 32.7529 173.9973 43 L 5.1420 8.4717 126.3432 53.3074 44.2987 175.5849 44 I 5.1075 8.7710 123.3196 59.4720 41.2925 174.2299 45 F 5.0821 8.8070 127.8322 56.5817 42.3383 174.5893 46 A 3.5329 9.2804 129.5401 53.2596 15.8400 177.6270 47 G 3.8922 8.4207 105.0723 47.0346 0.0000 174.0628 48 K 4.5605 7.7326 119.4881 53.9741 34.1701 175.3100 49 Q 4.4804 8.5605 124.9898 56.1378 29.7060 174.9948 50 L 4.0692 8.5538 127.3546 53.7538 43.0205 176.0597 51 E 4.3901 9.4073 124.1454 55.4384 30.8176 177.0948 52 D 4.4041 9.2444 124.6800 57.7435 41.0413 179.2396 53 G 3.7438 8.0015 104.9301 47.0385 0.0000 173.7010 54 R 4.4042 7.9784 120.1579 55.5119 31.7013 175.2401 55 T 5.0458 8.4742 109.1839 59.6049 71.3737 175.6573 56 L 4.0786 8.5062 122.2083 57.9510 41.9563 180.3153 57 S 4.1741 8.2268 113.9556 61.4707 62.5558 176.2996 58 D 4.3257 7.7778 121.3852 56.4957 40.4854 177.2047 59 Y 4.5742 7.5568 114.2173 56.4825 38.5106 174.6225 60 N 4.1536 7.9373 117.1512 54.4827 38.0415 174.1158 61 I 3.5795 7.6908 117.7092 60.3440 37.6760 175.8553 62 Q 4.6334 8.1387 124.8242 53.1113 31.3728 174.9576 63 K 4.0077 8.3526 117.6992 58.8291 32.6355 176.4953 64 E 3.8013 9.1609 120.1348 57.2488 27.8000 174.8991 65 S 4.5976 7.7756 115.1249 59.0326 64.2399 173.1546 66 T 5.2498 8.6910 118.3159 62.0075 70.6559 173.7473 67 L 5.1157 9.3390 125.5011 53.3515 45.5841 174.8812 68 H 5.3041 9.1744 118.2172 54.0083 31.6795 173.0685 69 L 4.9976 9.0439 125.3882 53.4111 43.7088 175.4425 70 V 4.3985 8.7527 126.8984 61.1307 34.0030 174.2055 71 L 4.7951 8.4719 127.7458 53.5171 42.4475 177.7555 72 R 4.3656 8.7252 127.2514 54.8423 27.7773 176.2474 73 L 4.5574 7.7316 120.7605 53.2896 43.9990 176.3296 74 R 4.6050 8.3813 119.4495 54.4734 32.0682 176.8530 75 G 3.7383 8.5976 110.2517 45.6658 0.0000 172.8470 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 4.47 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.70 0.00 2 Q 8.45 5.43 0.00 1.83 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.51 2.19 0.00 3 I 8.51 4.51 1.82 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.56 0.75 0.00 0.00 4 F 8.88 5.36 0.00 3.06 2.93 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 5 V 9.08 4.79 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 0.99 0.00 0.00 0.92 0.00 0.00 6 K 9.18 5.18 0.00 1.70 1.72 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.36 7.81 7 T 8.26 4.94 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 8 L 8.67 3.96 0.00 1.61 1.75 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.76 3.95 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 10 G 8.13 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 0.00 0.00 0.00 11 K 7.74 4.16 0.00 1.78 1.69 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.42 7.81 12 T 8.36 5.01 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 1.28 0.00 0.00 13 I 9.04 4.45 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 1.25 0.71 0.92 0.00 0.00 14 T 8.59 4.96 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 1.16 0.00 0.00 15 L 8.64 4.80 0.00 1.45 1.46 0.88 0.75 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 16 E 8.62 4.88 0.00 1.80 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 2.19 2.23 0.00 17 V 8.85 4.72 2.11 0.00 0.00 0.00 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 0.84 0.00 0.00 18 E 8.77 4.76 0.00 1.98 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 2.18 2.37 0.00 19 P 0.00 4.18 0.00 2.15 2.08 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 20 S 7.89 4.44 0.00 3.96 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 21 D 8.06 4.55 0.00 2.89 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 8.90 4.71 4.43 0.00 0.00 0.00 0.00 0.00 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 23 I 8.77 3.82 2.17 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 1.73 1.05 0.90 0.00 0.00 24 E 8.17 4.00 0.00 2.01 1.96 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 2.24 2.22 0.00 25 N 8.13 4.54 0.00 2.94 2.88 0.00 0.00 6.65 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 26 V 7.78 3.58 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 0.99 0.00 0.00 0.94 0.00 0.00 27 K 8.60 4.33 0.00 1.97 1.84 0.00 1.85 0.00 0.00 1.92 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.62 1.50 7.81 28 A 8.10 3.99 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 29 K 8.07 3.98 0.00 1.99 1.85 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.62 7.81 30 I 7.82 3.75 2.13 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 1.40 0.78 0.91 0.00 0.00 31 Q 8.34 4.08 0.00 2.23 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 32 D 8.00 4.43 0.00 2.87 2.71 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 0.00 0.00 0.00 0.00 33 K 7.74 4.27 0.00 1.67 1.86 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.62 7.81 34 E 8.50 4.49 0.00 1.97 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 2.23 2.36 0.00 35 G 8.62 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.45 4.07 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 1.47 0.86 0.91 0.00 0.00 37 P 0.00 4.43 0.00 2.41 2.18 0.00 3.84 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 2.14 1.99 0.00 38 P 0.00 4.26 0.00 2.19 2.16 0.00 3.60 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 39 D 8.09 4.40 0.00 2.78 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 40 Q 8.25 4.31 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 41 Q 7.97 4.81 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 42 R 8.76 4.62 0.00 1.87 1.93 0.00 3.07 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 43 L 8.47 5.14 0.00 1.58 1.50 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.77 5.11 1.92 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 1.12 1.11 0.97 0.00 0.00 45 F 8.81 5.08 0.00 2.94 2.79 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 46 A 9.28 3.53 0.83 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 0.00 0.00 47 G 8.42 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.73 4.56 0.00 1.89 1.76 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.60 1.55 7.81 49 Q 8.56 4.48 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 50 L 8.55 4.07 0.00 1.39 1.24 0.72 -0.08 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 51 E 9.41 4.39 0.00 2.07 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 2.36 2.43 0.00 52 D 9.24 4.40 0.00 2.75 2.77 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 53 G 8.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.98 4.40 0.00 2.20 1.89 0.00 3.07 0.00 0.00 2.89 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 55 T 8.47 5.05 4.48 0.00 0.00 0.00 0.00 0.00 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 56 L 8.51 4.08 0.00 1.88 1.69 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.23 4.17 0.00 4.04 4.17 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 0.00 0.00 0.00 58 D 7.78 4.33 0.00 2.63 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 0.00 0.00 0.00 0.00 59 Y 7.56 4.57 0.00 2.89 3.04 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 60 N 7.94 4.15 0.00 2.91 3.02 0.00 0.00 7.12 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 61 I 7.69 3.58 1.77 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.09 0.55 0.00 0.00 62 Q 8.14 4.63 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.96 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 63 K 8.35 4.01 0.00 1.83 1.80 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.49 7.81 64 E 9.16 3.80 0.00 2.21 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 2.29 2.32 0.00 65 S 7.78 4.60 0.00 3.76 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 66 T 8.69 5.25 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 1.18 0.00 0.00 67 L 9.34 5.12 0.00 1.53 1.56 0.84 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.17 5.30 0.00 3.06 3.20 0.00 5.58 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 69 L 9.04 5.00 0.00 1.57 1.69 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.75 4.40 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 0.92 0.00 0.00 0.94 0.00 0.00 71 L 8.47 4.80 0.00 1.57 1.60 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.73 4.37 0.00 1.76 1.89 0.00 3.31 0.00 0.00 3.22 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 73 L 7.73 4.56 0.00 1.63 1.58 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.38 4.61 0.00 1.77 1.83 0.00 3.16 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 75 G 8.60 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00