NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.2517 8.0249 120.7874 60.9544 39.6046 173.5766 2 V 4.0372 7.0073 121.7200 61.8048 36.4763 175.1835 3 C 4.3509 9.9785 129.1993 59.9326 40.9901 175.1029 4 H 4.6489 9.5472 124.9957 57.6817 29.4016 174.6012 5 T 3.7906 8.9571 122.6854 64.1947 67.0177 176.9774 6 T 3.3424 8.9485 119.4848 65.4931 65.2504 170.3952 7 A 4.1171 7.9258 131.1987 52.9846 19.4259 178.7126 8 T 4.2147 8.1487 100.7716 61.8374 68.1623 174.1029 9 S 4.4728 9.1083 109.1522 59.0609 64.9238 171.8216 10 P 4.3426 0.0000 0.0000 65.4230 31.2024 176.9782 11 I 3.8354 7.4519 109.3243 61.4626 38.6789 174.7194 12 S 3.7897 8.6822 111.8162 59.3332 60.7435 170.5838 13 A 4.7037 8.0872 122.4661 52.2878 20.7945 178.5997 14 V 4.3888 9.0364 117.1962 60.7866 34.1050 172.6260 15 T 4.5131 8.0917 117.0146 61.8765 71.9229 175.5635 16 C 5.0930 7.5263 120.5358 53.2000 43.7812 171.4458 17 P 4.4066 0.0000 0.0000 62.2061 31.5220 174.2328 18 P 4.6731 0.0000 0.0000 62.7041 33.3230 175.1391 19 G 3.8760 8.0354 107.1825 45.0240 0.0000 172.3360 20 E 4.2164 8.5700 124.0775 57.5051 31.0817 178.5841 21 N 3.7635 9.1033 111.4894 51.3094 42.0534 178.4481 22 L 3.4504 8.2625 120.1003 56.1858 40.1512 175.8720 23 C 4.8268 9.4245 130.3153 55.6367 40.7105 173.7797 24 Y 4.3076 8.0416 122.2684 57.8578 38.0941 177.5433 25 R 4.4245 8.6014 121.2574 55.0198 29.2926 173.5801 26 K 4.5572 7.9060 122.7247 52.9597 33.5977 175.6718 27 M 4.6377 8.5270 128.6199 55.5979 32.0359 176.2750 28 W 4.0286 9.9841 126.0268 58.1888 29.5935 171.5011 29 C 4.5246 8.2112 115.5665 56.9704 50.9387 176.8387 30 D 4.1668 7.0530 118.4156 55.1001 39.3037 174.0798 31 A 4.0296 8.9914 116.5553 53.4086 20.5705 178.6008 32 F 4.9911 7.5787 112.1006 55.8244 42.0613 173.9747 33 C 4.6816 8.0880 116.9641 53.8216 43.3244 174.0826 34 S 3.6096 8.3899 119.2516 59.8829 60.7494 171.5999 35 S 4.7513 7.6004 110.9541 56.9359 66.0840 173.5112 36 R 4.5622 9.3109 121.5494 51.6492 30.5589 175.1322 37 G 4.4545 8.3476 125.6418 44.1238 0.0000 168.6279 38 K 3.7064 8.1099 124.0641 56.0922 35.6847 174.2931 39 V 3.8096 8.8460 118.2311 61.1231 31.3036 168.3404 40 V 3.9547 7.4984 116.8121 60.9215 32.2148 171.6362 41 E 4.6092 8.3545 124.5021 54.8598 27.9289 178.7561 42 L 4.8269 8.5255 114.6707 56.1118 42.1654 173.3339 43 G 3.6589 7.2987 107.0730 45.4460 0.0000 173.3810 44 C 4.7454 8.3002 120.8280 56.1065 42.4973 172.3640 45 A 4.3164 8.0545 127.0746 51.6103 23.1212 176.5372 46 A 3.8213 8.0808 114.8658 53.0238 16.4461 177.9088 47 T 4.3399 7.7078 111.6461 64.0037 70.5510 171.0217 48 C 4.0423 8.3274 119.4375 55.0205 39.1349 169.9275 49 P 4.5319 0.0000 0.0000 63.8713 34.0420 177.3786 50 S 4.2545 8.0413 109.9089 57.3820 61.6591 174.9276 51 K 3.5549 9.2425 135.0000 57.2666 28.9837 172.9737 52 K 4.5351 7.3497 122.2443 56.5660 38.1538 176.4144 53 P 4.3002 0.0000 0.0000 66.3130 32.4931 177.9650 54 Y 4.1184 8.1776 116.3740 58.4914 38.0927 175.9502 55 E 4.8857 7.0268 115.2729 56.4259 33.3615 175.0979 56 E 4.8135 7.9126 117.8195 54.6649 31.8786 176.4139 57 V 4.1864 8.0988 121.6697 61.5493 33.9444 174.0453 58 T 4.7535 7.7241 110.3680 59.6638 72.2573 172.0205 59 C 3.8889 8.4058 114.6372 54.8205 41.1860 174.5511 60 C 4.5358 8.4242 124.2512 56.5992 40.0843 174.1476 61 S 4.0879 8.6806 118.6828 59.8166 61.6235 172.9279 62 T 4.2829 7.5210 112.1104 61.4650 69.7143 170.9147 63 D 4.3789 8.6333 124.9340 55.6714 40.3029 175.8329 64 K 4.0131 8.0534 127.6109 55.5125 31.8188 172.9030 65 C 4.0139 7.8390 114.8113 52.2015 42.2384 173.6912 66 N 4.8292 8.0974 115.5904 51.3712 36.9294 171.6335 67 P 4.1788 0.0000 0.0000 61.2415 31.3562 175.3515 68 H 4.1519 8.6722 114.3188 55.7635 25.6503 175.1693 69 P 4.1714 0.0000 0.0000 62.5786 31.9811 172.9587 70 K 3.6977 8.0222 127.4606 55.0169 33.6046 173.1924 71 Q 4.3711 8.8384 121.0437 56.0139 29.3302 176.2844 72 R 4.5450 8.4548 111.0774 53.4270 35.0355 172.8571 73 P 4.3194 0.0000 0.0000 63.1103 31.3423 176.7529 74 G 3.7083 8.4252 111.5853 45.5700 0.0000 171.5401 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 I 8.02 4.25 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 1.42 1.35 0.91 0.00 0.00 2 V 7.01 4.04 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 0.71 0.00 0.00 0.94 0.00 0.00 3 C 9.98 4.35 0.00 2.89 2.74 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 4 H 9.55 4.65 0.00 2.95 3.26 0.00 5.88 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.96 3.79 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 6 T 8.95 3.34 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 1.22 0.00 0.00 7 A 7.93 4.12 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 8 T 8.15 4.21 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 1.21 0.00 0.00 9 S 9.11 4.47 0.00 3.79 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 10 P 0.00 4.34 0.00 2.08 2.11 0.00 3.74 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 2.03 2.09 0.00 11 I 7.45 3.84 1.98 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 1.59 0.41 0.96 0.00 0.00 12 S 8.68 3.79 0.00 4.05 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 13 A 8.09 4.70 1.10 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 14 V 9.04 4.39 2.08 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 0.98 0.00 0.00 0.93 0.00 0.00 15 T 8.09 4.51 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 16 C 7.53 5.09 0.00 2.91 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 17 P 0.00 4.41 0.00 2.02 2.03 0.00 3.64 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 18 P 0.00 4.67 0.00 2.17 2.03 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 19 G 8.04 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.57 4.22 0.00 2.05 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 2.39 2.33 0.00 21 N 9.10 3.76 0.00 2.80 2.88 0.00 0.00 6.94 7.90 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 22 L 8.26 3.45 0.00 1.90 1.46 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 23 C 9.42 4.83 0.00 2.85 3.14 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 0.00 0.00 0.00 0.00 24 Y 8.04 4.31 0.00 2.83 2.94 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 25 R 8.60 4.42 0.00 1.74 1.95 0.00 3.33 0.00 0.00 3.10 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 26 K 7.91 4.56 0.00 1.16 1.41 0.00 1.66 0.00 0.00 0.97 0.00 0.00 2.57 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.14 7.81 27 M 8.53 4.64 0.00 2.15 1.63 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.56 0.00 28 W 9.98 4.03 0.00 3.38 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 29 C 8.21 4.52 0.00 2.22 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 0.00 0.00 0.00 30 D 7.05 4.17 0.00 2.78 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 31 A 8.99 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 F 7.58 4.99 0.00 2.94 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.09 4.68 0.00 2.82 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 34 S 8.39 3.61 0.00 3.94 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 35 S 7.60 4.75 0.00 3.74 3.65 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 0.00 0.00 0.00 36 R 9.31 4.56 0.00 1.78 1.81 0.00 3.38 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 37 G 8.35 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.11 3.71 0.00 1.82 1.96 0.00 1.80 0.00 0.00 1.89 0.00 0.00 3.05 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.21 1.23 7.81 39 V 8.85 3.81 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 0.65 0.00 0.00 0.80 0.00 0.00 40 V 7.50 3.95 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 0.97 0.00 0.00 0.95 0.00 0.00 41 E 8.35 4.61 0.00 1.94 1.12 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 2.28 2.31 0.00 42 L 8.53 4.83 0.00 1.84 1.71 0.95 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 43 G 7.30 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 44 C 8.30 4.75 0.00 2.84 2.91 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 45 A 8.05 4.32 0.92 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 46 A 8.08 3.82 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 47 T 7.71 4.34 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 1.27 0.00 0.00 48 C 8.33 4.04 0.00 3.28 3.30 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 49 P 0.00 4.53 0.00 2.22 2.25 0.00 3.78 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 1.96 2.07 0.00 50 S 8.04 4.25 0.00 3.80 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 51 K 9.24 3.55 0.00 1.89 1.75 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.22 1.28 7.81 52 K 7.35 4.54 0.00 1.67 1.55 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.38 7.81 53 P 0.00 4.30 0.00 1.81 1.97 0.00 3.93 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.78 0.00 54 Y 8.18 4.12 0.00 2.46 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 55 E 7.03 4.89 0.00 1.37 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 1.91 1.76 0.00 56 E 7.91 4.81 0.00 1.74 1.74 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 2.19 2.02 0.00 57 V 8.10 4.19 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 0.88 0.00 0.00 0.98 0.00 0.00 58 T 7.72 4.75 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 1.20 0.00 0.00 59 C 8.41 3.89 0.00 3.14 3.18 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 0.00 0.00 0.00 0.00 60 C 8.42 4.54 0.00 2.98 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 61 S 8.68 4.09 0.00 3.84 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.52 4.28 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 63 D 8.63 4.38 0.00 2.71 2.69 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 64 K 8.05 4.01 0.00 1.97 1.94 0.00 1.93 0.00 0.00 1.76 0.00 0.00 3.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.30 1.45 7.81 65 C 7.84 4.01 0.00 3.50 3.18 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 0.00 0.00 0.00 0.00 66 N 8.10 4.83 0.00 2.96 3.20 0.00 0.00 6.05 7.76 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 67 P 0.00 4.18 0.00 2.23 2.02 0.00 3.87 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 68 H 8.67 4.15 0.00 3.26 3.52 0.00 5.90 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.17 0.00 2.19 2.11 0.00 3.94 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 70 K 8.02 3.70 0.00 1.92 1.74 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.29 1.27 7.81 71 Q 8.84 4.37 0.00 2.14 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.52 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 72 R 8.45 4.54 0.00 1.75 1.82 0.00 3.26 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 73 P 0.00 4.32 0.00 2.17 2.09 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 74 G 8.43 3.71 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 0.00 0.00 0.00