NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4266 8.1627 120.2847 55.2601 34.2218 173.4572 2 Q 4.6932 8.3950 122.9145 54.9053 29.7317 173.0143 3 Y 5.2042 9.5213 124.3334 56.2149 42.2435 174.0411 4 K 4.9522 9.4435 123.0435 54.6630 35.6570 174.4341 5 L 4.9681 8.6303 127.8651 53.1944 44.8325 174.8345 6 I 4.7308 8.7538 127.6280 59.7004 39.4156 174.4203 7 L 4.7117 9.0084 127.8216 52.5630 43.7017 176.1810 8 N 5.0315 8.7657 123.6461 52.1182 37.9347 173.4693 9 G 4.1507 8.4056 110.6567 44.0587 0.0000 172.5141 10 K 4.0839 9.3266 119.5378 59.0890 32.2197 178.6091 11 T 4.3004 7.9100 112.9852 64.0529 70.2222 174.3849 12 L 4.6880 7.6724 123.1100 52.9672 43.7789 174.9991 13 K 5.1120 9.3415 124.3186 54.4088 36.6309 177.0977 14 G 3.7678 7.1206 108.4878 45.2469 0.0000 171.4484 15 E 5.2812 8.1934 121.0162 55.0251 33.7345 174.9689 16 T 4.8927 8.7979 112.7576 60.3899 73.0364 172.2518 17 T 5.4632 8.3064 110.5328 60.7965 72.3235 172.5561 18 T 4.6662 9.0450 115.4590 61.1176 71.5619 171.4387 19 E 5.3283 8.6532 125.5507 54.4858 31.2921 174.7126 20 A 4.7073 9.0295 127.3590 50.6465 22.1451 176.7349 21 V 3.7407 8.5366 113.2371 64.2301 32.1216 176.3591 22 D 4.8630 7.7494 118.8724 51.7407 43.2611 175.8579 23 A 3.4326 8.5053 120.2966 55.0070 18.2043 179.4980 24 A 3.9217 7.8108 118.8345 55.4504 18.4339 179.9297 25 T 3.6243 8.1234 113.9849 66.6795 68.4863 176.7935 26 A 3.4178 7.4807 122.6101 54.8036 18.1632 179.1476 27 E 2.9694 8.1021 118.0508 59.1294 29.6415 179.2708 28 K 3.7552 7.4813 118.0167 59.2435 32.0556 179.4988 29 V 3.4605 7.3374 118.3854 66.1144 31.3800 178.2082 30 F 4.6525 7.9740 117.8552 60.5374 38.6217 177.9103 31 K 4.0392 8.2877 118.7654 59.3656 31.6782 179.1711 32 Q 3.9650 8.2216 119.9627 59.1935 28.9108 177.5773 33 Y 4.0544 8.3294 120.4208 60.6971 38.7947 178.0417 34 A 4.1115 8.8111 121.9991 55.3306 18.5567 179.2989 35 N 4.3108 8.4831 115.0745 56.7594 38.4729 177.4691 36 D 4.4188 8.3786 118.9257 56.3949 40.8358 177.5237 37 N 4.7702 7.5256 114.8051 52.4848 38.9082 175.6409 38 G 3.8738 8.0621 108.3972 45.3873 0.0000 173.6400 39 V 4.2889 7.7362 119.5236 61.1556 32.5852 175.0216 40 D 4.7258 9.4697 126.5606 53.0201 43.2690 174.0893 41 G 4.0254 8.4012 116.0440 45.1459 0.0000 170.3493 42 E 4.7654 8.6673 119.0250 55.0015 31.3751 175.6673 43 W 5.3825 8.9892 122.9188 55.2247 32.1116 175.0337 44 T 4.9954 9.0160 112.1523 60.2444 72.2709 171.9686 45 Y 4.8893 8.4473 122.3261 55.8961 42.7307 173.1643 46 D 4.5727 8.0954 126.5156 52.1202 42.6926 175.9535 47 D 4.1078 8.3613 126.0159 56.1773 41.5383 177.9473 48 A 4.0756 8.0307 121.1444 54.0669 18.4311 177.8399 49 T 4.4787 7.3178 103.0041 60.0905 69.8484 173.7272 50 K 4.0580 7.6036 120.6054 58.4295 30.4470 174.4545 51 T 5.2491 7.5648 113.3928 61.9712 71.7845 174.0689 52 F 5.5516 9.8034 125.4897 56.4665 41.7640 174.9818 53 T 5.2293 9.1024 111.2975 59.8678 72.4326 173.0385 54 V 4.2058 8.2866 122.3401 60.0194 34.5223 174.4684 55 T 4.9140 8.5359 120.5173 61.7294 72.4352 173.9019 56 E 4.2717 8.7458 124.8216 56.4418 29.3108 176.0741 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 4.43 0.00 1.57 1.98 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 2.58 2.48 0.00 2 Q 8.40 4.69 0.00 2.14 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 3 Y 9.52 5.20 0.00 3.22 3.43 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 0.00 4 K 9.44 4.95 0.00 1.89 1.74 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.50 7.81 5 L 8.63 4.97 0.00 0.27 0.54 0.83 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.75 4.73 1.82 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 1.19 0.48 0.91 0.00 0.00 7 L 9.01 4.71 0.00 1.55 1.52 0.96 0.42 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 8 N 8.77 5.03 0.00 2.70 2.58 0.00 0.00 6.66 7.61 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 9 G 8.41 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 10 K 9.33 4.08 0.00 1.69 1.88 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.40 7.81 11 T 7.91 4.30 4.23 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 1.20 0.00 0.00 12 L 7.67 4.69 0.00 1.63 1.49 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 13 K 9.34 5.11 0.00 1.71 1.62 0.00 1.82 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.30 1.38 7.81 14 G 7.12 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 0.00 0.00 0.00 15 E 8.19 5.28 0.00 1.78 1.77 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 2.17 2.27 0.00 16 T 8.80 4.89 3.98 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 1.19 0.00 0.00 17 T 8.31 5.46 4.46 0.00 0.00 0.00 0.00 0.00 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 18 T 9.04 4.67 3.98 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 0.48 0.00 0.00 19 E 8.65 5.33 0.00 2.02 1.82 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 0.00 2.22 2.48 0.00 20 A 9.03 4.71 1.05 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 0.00 0.00 21 V 8.54 3.74 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 0.77 0.00 0.00 0.92 0.00 0.00 22 D 7.75 4.86 0.00 2.86 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 23 A 8.51 3.43 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 24 A 7.81 3.92 1.25 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 0.00 0.00 0.00 25 T 8.12 3.62 4.29 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 1.09 0.00 0.00 26 A 7.48 3.42 0.48 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 0.00 0.00 0.00 27 E 8.10 2.97 0.00 1.96 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 1.85 2.03 0.00 28 K 7.48 3.76 0.00 1.83 1.70 0.00 1.68 0.00 0.00 1.46 0.00 0.00 2.89 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.33 1.32 7.81 29 V 7.34 3.46 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.76 0.00 0.00 30 F 7.97 4.65 0.00 2.80 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 31 K 8.29 4.04 0.00 1.54 1.64 0.00 1.23 0.00 0.00 1.17 0.00 0.00 2.31 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.59 7.81 32 Q 8.22 3.96 0.00 2.12 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.49 2.38 0.00 33 Y 8.33 4.05 0.00 3.26 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.81 4.11 1.69 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 35 N 8.48 4.31 0.00 3.01 2.90 0.00 0.00 7.09 7.66 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 36 D 8.38 4.42 0.00 2.69 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 37 N 7.53 4.77 0.00 2.51 2.66 0.00 0.00 7.12 8.88 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 38 G 8.06 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 0.00 0.00 0.00 39 V 7.74 4.29 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 0.72 0.00 0.00 0.92 0.00 0.00 40 D 9.47 4.73 0.00 2.61 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.40 4.03 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 0.00 0.00 0.00 42 E 8.67 4.77 0.00 1.92 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 0.00 2.34 2.31 0.00 43 W 8.99 5.38 0.00 3.23 3.34 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 44 T 9.02 5.00 4.29 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 1.26 0.00 0.00 45 Y 8.45 4.89 0.00 2.73 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 D 8.10 4.57 0.00 2.51 2.25 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 0.00 47 D 8.36 4.11 0.00 2.85 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 48 A 8.03 4.08 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 49 T 7.32 4.48 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 1.16 0.00 0.00 50 K 7.60 4.06 0.00 1.88 1.80 0.00 1.50 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.35 7.81 51 T 7.56 5.25 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 1.24 0.00 0.00 52 F 9.80 5.55 0.00 3.09 3.34 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 53 T 9.10 5.23 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 1.20 0.00 0.00 54 V 8.29 4.21 0.67 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 0.45 0.00 0.00 0.19 0.00 0.00 55 T 8.54 4.91 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 1.16 0.00 0.00 56 E 8.75 4.27 0.00 1.82 1.82 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 0.00 2.43 2.18 0.00