NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3143 8.2649 123.5824 51.0316 19.2796 176.6962 2 P 4.1132 0.0000 0.0000 62.9715 31.8161 175.6537 3 R 4.2791 9.1163 121.8269 55.4106 29.9522 175.0046 4 L 4.7859 7.9492 122.2140 51.8639 44.0464 174.8438 5 P 4.4334 0.0000 0.0000 62.9448 32.8530 174.5504 6 Q 4.6758 8.3838 121.7146 55.4085 29.8405 176.1589 7 C 4.7238 8.8359 123.6705 57.8131 40.7007 172.7791 8 Q 4.1268 9.8391 118.9072 55.6292 30.0832 177.2298 9 G 4.5536 7.5638 124.5522 46.2865 0.0000 169.1072 10 D 4.4760 7.5705 128.0034 53.7501 38.2022 172.9402 11 D 4.8165 7.8080 123.1349 52.6698 42.8482 178.0044 12 Q 4.0626 8.6416 119.8806 58.6078 28.9358 175.9335 13 E 4.8335 7.6269 113.6127 53.5589 33.4767 175.5763 14 K 4.4083 8.5187 122.4360 57.0636 32.9700 174.6275 15 C 5.0634 8.7084 120.1996 54.1319 44.8456 172.7913 16 L 4.5246 8.9818 120.5262 54.6379 42.2705 175.8378 17 C 4.1094 9.2347 126.6154 56.4925 43.0986 172.1914 18 N 4.3544 9.3938 125.0198 53.2445 38.7444 174.8580 19 K 4.6796 7.7715 117.1018 55.3367 33.4757 177.0473 20 D 4.5237 8.0552 118.7677 53.2760 44.8875 175.2023 21 E 4.4278 8.8439 124.4448 56.4596 29.8148 176.7693 22 C 5.1411 8.8305 125.3436 53.6563 45.4283 171.7897 23 P 4.8579 0.0000 0.0000 61.7881 32.5935 173.6131 24 P 4.2170 0.0000 0.0000 64.6182 31.6994 175.0303 25 G 4.4202 8.7381 118.3965 46.2254 0.0000 175.6196 26 Q 4.1244 7.6137 117.4114 56.8140 28.8310 175.0661 27 C 4.4750 8.0903 119.9229 56.3399 39.1274 172.0666 28 R 4.7455 8.1383 125.9138 54.4235 32.6121 175.6105 29 F 4.5325 8.7257 121.9513 54.9162 39.8431 173.2812 30 P 4.5912 0.0000 0.0000 61.9843 31.3259 176.9709 31 R 4.3353 8.3589 118.9016 56.8254 32.3881 180.5784 32 G 3.9993 8.4906 111.8799 47.1810 0.0000 176.3942 33 D 4.9184 8.9257 118.5170 52.2415 40.2270 175.1424 34 A 4.6633 7.7469 118.4319 50.3669 22.5529 176.2506 35 D 4.6084 8.5922 122.7267 52.8417 41.9272 174.5539 36 P 4.1904 0.0000 0.0000 63.1874 31.7371 175.1906 37 Y 4.7301 7.9700 123.0065 55.2167 40.7324 174.0741 38 C 4.6869 8.6974 122.5389 56.0430 44.5487 172.7479 39 E 4.4130 8.6407 126.8970 56.5283 28.8834 176.0121 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 A 8.26 4.31 1.33 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 0.00 0.00 2 P 0.00 4.11 0.00 2.13 2.01 0.00 3.81 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 2.03 2.16 0.00 3 R 9.12 4.28 0.00 1.80 1.91 0.00 3.17 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 4 L 7.95 4.79 0.00 1.51 1.57 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.43 0.00 2.08 2.02 0.00 3.76 0.00 0.00 3.70 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 6 Q 8.38 4.68 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.20 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 7 C 8.84 4.72 0.00 3.18 3.38 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 8 Q 9.84 4.13 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.29 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 9 G 7.56 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.57 4.48 0.00 2.96 2.65 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 11 D 7.81 4.82 0.00 2.84 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.64 4.06 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 13 E 7.63 4.83 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 2.26 0.00 14 K 8.52 4.41 0.00 1.77 1.72 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.60 7.81 15 C 8.71 5.06 0.00 3.16 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 16 L 8.98 4.52 0.00 1.71 1.65 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17 C 9.23 4.11 0.00 2.91 2.89 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 18 N 9.39 4.35 0.00 2.87 2.73 0.00 0.00 6.99 6.67 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 19 K 7.77 4.68 0.00 1.84 1.75 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.29 1.45 7.81 20 D 8.06 4.52 0.00 2.88 2.54 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 21 E 8.84 4.43 0.00 1.85 1.93 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 2.31 2.31 0.00 22 C 8.83 5.14 0.00 3.11 2.95 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 23 P 0.00 4.86 0.00 2.16 2.16 0.00 3.75 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 2.07 1.97 0.00 24 P 0.00 4.22 0.00 2.16 2.22 0.00 3.73 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 1.99 1.98 0.00 25 G 8.74 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.61 4.12 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.17 6.97 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 27 C 8.09 4.47 0.00 3.00 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 28 R 8.14 4.75 0.00 0.67 1.30 0.00 3.24 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.65 0.00 29 F 8.73 4.53 0.00 2.76 2.96 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 30 P 0.00 4.59 0.00 2.28 2.25 0.00 3.74 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.27 0.00 31 R 8.36 4.34 0.00 1.93 1.92 0.00 3.22 0.00 0.00 3.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.67 0.00 32 G 8.49 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 33 D 8.93 4.92 0.00 2.66 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 7.75 4.66 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 35 D 8.59 4.61 0.00 2.68 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.19 0.00 1.51 0.53 0.00 3.54 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.71 0.00 37 Y 7.97 4.73 0.00 3.04 2.96 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 38 C 8.70 4.69 0.00 2.99 3.06 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 39 E 8.64 4.41 0.00 2.15 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 2.38 2.42 0.00