NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9163 8.3544 109.7361 45.8040 0.0000 173.0827 2 S 4.2887 8.5293 113.3955 59.3642 63.4868 173.3188 3 S 4.2108 8.0534 114.5860 59.6447 64.8525 173.2116 4 G 3.9630 8.0993 107.2685 44.6498 0.0000 172.8275 5 S 4.8369 8.3923 118.9409 56.6571 66.1825 173.7982 6 S 4.5596 8.2899 115.4792 56.8960 67.1124 173.4741 7 G 3.5592 9.2180 114.1147 45.7205 0.0000 173.1595 8 Q 3.2002 8.8413 116.1363 56.3951 28.6171 175.0816 9 L 4.2131 7.7592 118.4253 56.2605 43.1068 175.0968 10 L 4.4344 7.8304 119.6595 55.5219 42.3925 173.7719 11 E 4.6531 8.3202 118.6059 54.3165 33.4937 174.1953 12 P 4.4374 0.0000 0.0000 62.4077 32.5979 175.8918 13 I 4.2205 8.1168 119.8224 60.9082 36.1600 174.8409 14 R 4.4603 8.6748 124.3619 57.2774 31.5147 176.5083 15 D 4.9044 7.9326 111.7680 52.7540 40.6286 175.9485 16 F 4.5422 8.5367 122.9514 61.0254 39.6517 176.4899 17 E 4.4481 8.0329 118.0451 56.2805 30.1123 176.0571 18 A 4.6249 8.1223 119.8421 52.0464 21.0662 178.1463 19 R 4.4542 7.5553 116.3921 54.2936 29.0669 175.3819 20 K 5.0454 7.8299 120.7801 53.8149 36.3067 175.1376 21 C 4.3332 8.4669 123.1658 58.8878 31.8569 172.9030 22 P 4.4344 0.0000 0.0000 64.6371 31.4621 177.1459 23 V 3.9565 7.6828 117.7777 64.1894 32.5079 175.6799 24 H 4.5531 8.3507 114.5048 57.1227 30.0203 175.7551 25 G 3.9977 8.5352 105.4114 44.7491 0.0000 172.7151 26 K 4.4177 7.7074 119.2545 54.6664 34.0437 175.5582 27 T 4.1392 8.6897 120.8719 64.1151 68.9747 173.5122 28 M 3.9871 9.0307 127.6551 55.1983 32.5608 176.3321 29 E 4.6835 8.7119 123.5529 55.7331 30.8439 175.2405 30 L 5.3928 7.5958 117.6805 53.4291 47.2596 175.2680 31 F 5.0880 8.9023 121.7963 56.9668 42.7374 173.2682 32 C 4.3917 8.6957 127.5601 59.7730 32.1317 173.7795 33 Q 4.3617 8.2594 122.1094 57.1688 29.1557 177.6423 34 T 3.9295 8.0259 115.7235 66.1713 68.7024 175.2337 35 D 4.6065 7.7953 116.4538 52.1080 40.2502 175.9547 36 Q 3.3470 7.5189 116.7611 56.5445 26.5379 172.7411 37 T 4.7744 6.3602 110.2448 60.1720 71.8866 173.0557 38 C 5.0634 8.6942 123.2379 59.8196 28.7374 172.9832 39 I 4.6029 8.2481 114.5332 59.8855 41.2997 174.1064 40 C 4.1201 8.2478 118.5653 56.7282 31.6082 174.1424 41 Y 3.6719 6.9874 117.7935 60.0477 37.4154 178.1445 42 L 4.2767 7.2481 119.6644 56.8397 41.6600 178.9635 43 C 4.2061 7.4445 117.5413 62.6806 28.4603 175.6558 44 M 4.8526 7.5598 119.0603 57.4199 30.1220 177.9735 45 F 4.7687 7.0866 117.1195 59.9280 39.5875 175.5578 46 Q 4.5460 7.6195 112.3492 56.2981 31.1424 176.7481 47 E 3.8970 8.0161 121.7063 59.8903 30.5762 178.5568 48 H 4.6459 8.6043 118.8075 54.1368 28.2647 174.9827 49 K 4.5758 7.9490 122.6408 58.0756 33.1849 177.9006 50 N 4.4415 8.1410 114.4228 56.6452 38.7148 175.3044 51 H 4.1268 7.8552 113.3085 56.2819 29.6193 175.4140 52 S 4.7234 8.3885 117.4921 57.6368 62.9243 173.2377 53 T 4.5496 8.2274 114.8047 60.9883 70.3866 174.7735 54 V 4.6664 8.5255 116.7042 59.4028 36.3720 175.1372 55 T 4.1220 8.8554 114.1951 62.4185 69.1546 174.4992 56 V 3.5596 8.4715 124.9232 66.5620 31.4632 177.9315 57 E 3.9642 8.3351 117.3887 59.5989 29.0291 179.0182 58 E 3.8909 8.4691 118.2798 59.2933 29.6310 178.3949 59 A 4.1107 8.0241 120.2669 54.9260 18.3027 179.7255 60 K 3.6992 8.2863 116.8500 60.0701 31.6367 179.5860 61 A 4.2218 7.7960 122.2790 55.1984 18.0457 179.2828 62 E 3.8134 7.4594 116.7218 59.2672 29.8572 178.5842 63 K 4.0478 8.0175 118.7587 58.6973 32.2595 176.7733 64 E 4.2636 7.3834 113.4369 55.2322 30.5470 175.4319 65 T 3.7594 8.1954 108.4119 61.0625 69.1283 172.9353 66 E 3.9335 8.4692 124.4426 56.3214 30.4432 175.9636 67 S 4.7740 8.1759 115.6289 55.8698 65.4969 173.9961 68 G 3.8403 8.3908 113.8451 44.3019 0.0000 171.6818 69 P 4.3893 0.0000 0.0000 62.6025 31.9546 176.5263 70 S 4.4501 8.2286 117.7077 57.6154 66.3426 175.3405 71 S 4.4043 8.6108 121.6879 56.8429 61.2080 174.4437 72 G 3.9616 8.4270 116.6675 46.7796 0.0000 170.8320 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 G 8.35 3.92 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 0.00 2 S 8.53 4.29 0.00 3.90 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 3 S 8.05 4.21 0.00 3.89 3.82 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 0.00 0.00 0.00 4 G 8.10 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 0.00 0.00 0.00 5 S 8.39 4.84 0.00 3.93 3.83 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 6 S 8.29 4.56 0.00 3.82 3.76 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 7 G 9.22 3.56 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 0.00 0.00 0.00 8 Q 8.84 3.20 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.99 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 9 L 7.76 4.21 0.00 1.59 1.59 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.83 4.43 0.00 1.68 1.54 0.91 0.53 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 11 E 8.32 4.65 0.00 1.89 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 2.20 2.23 0.00 12 P 0.00 4.44 0.00 2.19 2.11 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 1.99 1.99 0.00 13 I 8.12 4.22 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.52 1.13 0.00 0.00 14 R 8.67 4.46 0.00 1.74 1.94 0.00 3.24 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 15 D 7.93 4.90 0.00 2.79 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.54 4.54 0.00 2.94 3.16 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 0.00 17 E 8.03 4.45 0.00 1.94 1.81 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 1.47 2.14 0.00 18 A 8.12 4.62 1.27 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 0.00 0.00 0.00 19 R 7.56 4.45 0.00 1.70 1.85 0.00 3.23 0.00 0.00 3.33 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 20 K 7.83 5.05 0.00 1.56 1.63 0.00 1.85 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.33 7.81 21 C 8.47 4.33 0.00 2.90 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 22 P 0.00 4.43 0.00 2.19 2.14 0.00 3.77 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 1.96 1.93 0.00 23 V 7.68 3.96 2.03 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 0.65 0.00 0.00 0.94 0.00 0.00 24 H 8.35 4.55 0.00 3.05 3.26 0.00 5.91 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.54 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 26 K 7.71 4.42 0.00 1.23 1.54 0.00 1.99 0.00 0.00 1.91 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.31 7.81 27 T 8.69 4.14 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 1.26 0.00 0.00 28 M 9.03 3.99 0.00 1.80 2.08 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.42 0.00 29 E 8.71 4.68 0.00 2.04 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 2.57 2.34 0.00 30 L 7.60 5.39 0.00 1.63 1.49 0.85 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.90 5.09 0.00 3.08 2.85 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 32 C 8.70 4.39 0.00 2.64 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 33 Q 8.26 4.36 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.54 0.00 34 T 8.03 3.93 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 0.89 0.00 0.00 35 D 7.80 4.61 0.00 2.68 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 36 Q 7.52 3.35 0.00 2.17 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.87 0.00 0.00 0.00 0.00 0.00 2.47 2.62 0.00 37 T 6.36 4.77 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 1.15 0.00 0.00 38 C 8.69 5.06 0.00 2.93 2.87 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 39 I 8.25 4.60 1.69 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.56 0.57 0.00 0.00 40 C 8.25 4.12 0.00 2.29 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 41 Y 6.99 3.67 0.00 3.18 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 42 L 7.25 4.28 0.00 1.27 1.52 0.93 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 43 C 7.44 4.21 0.00 3.05 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 44 M 7.56 4.85 0.00 2.01 2.24 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.78 0.00 45 F 7.09 4.77 0.00 3.20 3.03 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 46 Q 7.62 4.55 0.00 2.27 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.85 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 47 E 8.02 3.90 0.00 2.02 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 2.31 2.42 0.00 48 H 8.60 4.65 0.00 3.03 3.20 0.00 5.60 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.95 4.58 0.00 1.97 1.82 0.00 1.80 0.00 0.00 2.61 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.47 7.81 50 N 8.14 4.44 0.00 2.70 2.86 0.00 0.00 6.85 8.15 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 51 H 7.86 4.13 0.00 3.13 3.24 0.00 5.70 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 52 S 8.39 4.72 0.00 3.78 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 53 T 8.23 4.55 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 1.13 0.00 0.00 54 V 8.53 4.67 2.14 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 0.88 0.00 0.00 1.11 0.00 0.00 55 T 8.86 4.12 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 1.25 0.00 0.00 56 V 8.47 3.56 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 0.95 0.00 0.00 0.98 0.00 0.00 57 E 8.34 3.96 0.00 2.11 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 0.00 2.43 2.46 0.00 58 E 8.47 3.89 0.00 1.93 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 0.00 2.35 2.39 0.00 59 A 8.02 4.11 1.23 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 0.00 0.00 60 K 8.29 3.70 0.00 2.00 1.83 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.52 7.81 61 A 7.80 4.22 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.46 3.81 0.00 1.90 2.14 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 2.32 2.46 0.00 63 K 8.02 4.05 0.00 1.69 1.87 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.42 7.81 64 E 7.38 4.26 0.00 2.22 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 0.00 2.48 2.24 0.00 65 T 8.20 3.76 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 1.21 0.00 0.00 66 E 8.47 3.93 0.00 1.92 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 2.31 2.41 0.00 67 S 8.18 4.77 0.00 3.81 3.67 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 0.00 0.00 0.00 0.00 68 G 8.39 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 0.00 0.00 0.00 69 P 0.00 4.39 0.00 2.19 2.07 0.00 3.79 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 1.99 0.00 70 S 8.23 4.45 0.00 3.84 3.78 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 71 S 8.61 4.40 0.00 3.98 3.92 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 72 G 8.43 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 0.00 0.00 0.00