NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9290 8.3549 109.7302 44.0212 0.0000 173.2182 2 S 4.5461 7.6235 117.2849 54.7591 66.4943 172.3701 3 S 4.4609 9.6367 117.1370 57.0546 65.0641 172.5629 4 G 3.9148 8.4769 125.9979 45.1715 0.0000 169.6357 5 S 4.1593 7.7536 120.0068 58.8956 63.1533 174.6251 6 S 4.2961 8.9247 121.0489 60.5132 63.6406 174.3047 7 G 3.9313 8.3882 103.0695 45.2915 0.0000 173.1948 8 D 4.8055 8.9530 115.6782 52.0355 44.9696 175.6182 9 E 4.3599 8.8194 122.1115 55.5680 30.9617 174.7659 10 G 3.5975 8.5617 113.5557 45.4919 0.0000 173.2668 11 Y 4.5551 7.9792 118.7319 56.5634 39.1236 175.8920 12 W 4.6946 8.6649 119.9274 54.6902 30.8247 174.5555 13 D 4.7231 8.6768 124.4423 53.5502 40.9066 175.8784 14 C 4.4750 8.7302 125.2956 59.9360 32.4314 174.1280 15 S 4.5626 8.6234 115.1934 59.3670 64.7088 175.9453 16 V 3.7142 8.1164 119.8876 65.5832 31.1164 176.2339 17 C 4.5779 8.0944 111.9578 57.1411 30.3343 173.7004 18 T 4.3326 7.7450 108.3299 61.8123 67.2781 171.6320 19 F 4.7591 7.4017 123.2562 58.2873 41.6106 174.0552 20 R 4.1268 6.4121 123.0117 55.2269 30.6212 175.1302 21 N 4.7039 7.7553 123.3004 51.1623 42.1610 174.2291 22 S 4.7628 8.3119 115.5207 57.1238 63.9165 174.9014 23 A 4.2934 8.8986 128.1823 55.6465 18.3425 178.8088 24 E 4.0204 8.5835 113.3202 59.5027 29.6154 177.8772 25 A 3.9928 7.7567 122.2482 51.8221 18.5886 176.9742 26 F 4.3756 8.7553 119.0388 59.5394 37.9210 175.0908 27 K 4.8533 6.5665 117.2231 53.5282 36.2186 174.9258 28 C 4.4806 8.5884 118.7439 60.2873 31.9187 173.3948 29 M 4.3481 8.8736 122.2501 56.7531 33.3510 176.8486 30 M 3.7912 7.8139 117.8910 57.7061 32.7035 176.5181 31 C 4.2821 7.8259 113.1622 58.1113 30.8097 173.2863 32 D 5.0172 8.3374 118.1472 55.0945 37.2203 173.6480 33 V 4.1249 7.6991 118.4724 60.1413 32.7509 175.3294 34 R 4.1178 8.7058 124.6858 56.6508 30.5118 175.6329 35 K 4.2241 8.5030 122.5918 57.8857 34.2168 175.4596 36 G 3.6962 7.8986 109.0896 45.3270 0.0000 172.6349 37 T 3.8843 8.4876 116.1557 64.6824 68.6028 176.5407 38 S 3.6992 7.8251 115.3280 58.9228 60.3838 172.6546 39 T 4.2597 7.7804 114.8907 62.9916 69.4762 174.8258 40 R 4.4926 8.2075 123.9331 54.2122 31.5720 176.8366 41 K 4.1185 8.4437 122.6602 55.8699 32.6263 175.8823 42 P 4.5812 0.0000 0.0000 63.3074 31.2513 176.7705 43 R 4.0173 7.3814 116.0385 55.8959 29.6158 174.7528 44 P 4.5395 0.0000 0.0000 62.8647 32.1396 176.0379 45 V 4.5014 7.8729 117.9880 60.2901 34.1326 174.1255 46 S 4.6963 8.2369 116.1999 55.8914 66.2488 173.2603 47 Q 3.8990 8.5479 122.3459 55.9849 29.0070 175.8599 48 S 4.2733 8.7677 120.5231 58.4209 63.2523 172.9595 49 G 4.3511 8.1202 118.7026 43.2485 0.0000 169.3054 50 P 4.3175 0.0000 0.0000 62.5214 31.5831 175.9539 51 S 4.1883 8.9381 119.2057 60.7215 62.4876 174.3938 52 S 4.5785 7.8338 113.6673 56.4437 64.1990 174.0847 53 G 3.9717 8.8434 111.8638 46.2234 0.0000 172.8897 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 3.93 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 0.00 0.00 0.00 2 S 7.62 4.55 0.00 3.86 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 3 S 9.64 4.46 0.00 3.75 3.70 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 4 G 8.48 3.91 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 0.00 0.00 0.00 5 S 7.75 4.16 0.00 3.88 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 6 S 8.92 4.30 0.00 3.83 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 7 G 8.39 3.93 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 0.00 0.00 0.00 8 D 8.95 4.81 0.00 2.63 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.82 4.36 0.00 2.17 2.00 0.00 0.00 0.00 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 2.35 0.00 10 G 8.56 3.60 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 0.00 0.00 0.00 11 Y 7.98 4.56 0.00 3.10 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 12 W 8.66 4.69 0.00 3.50 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.68 4.72 0.00 2.58 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 14 C 8.73 4.47 0.00 2.79 2.98 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 0.00 15 S 8.62 4.56 0.00 4.03 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 16 V 8.12 3.71 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 0.82 0.00 0.00 0.99 0.00 0.00 17 C 8.09 4.58 0.00 3.13 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 18 T 7.75 4.33 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 1.24 0.00 0.00 19 F 7.40 4.76 0.00 3.19 2.88 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 20 R 6.41 4.13 0.00 1.48 1.07 0.00 2.88 0.00 0.00 2.73 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.46 0.00 21 N 7.76 4.70 0.00 1.44 1.88 0.00 0.00 5.34 8.20 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 22 S 8.31 4.76 0.00 3.83 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.90 4.29 1.45 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 24 E 8.58 4.02 0.00 2.03 2.13 0.00 0.00 0.00 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 2.33 0.00 25 A 7.76 3.99 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 26 F 8.76 4.38 0.00 3.20 3.22 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 0.00 0.00 0.00 0.00 27 K 6.57 4.85 0.00 1.82 1.91 0.00 2.03 0.00 0.00 2.12 0.00 0.00 3.06 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.49 1.75 7.81 28 C 8.59 4.48 0.00 3.33 3.09 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 0.00 0.00 0.00 0.00 29 M 8.87 4.35 0.00 2.09 2.07 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 2.56 0.00 30 M 7.81 3.79 0.00 1.78 0.89 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 31 C 7.83 4.28 0.00 3.13 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 32 D 8.34 5.02 0.00 2.90 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 33 V 7.70 4.12 2.15 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 1.03 0.00 0.00 1.00 0.00 0.00 34 R 8.71 4.12 0.00 1.85 1.92 0.00 3.36 0.00 0.00 3.37 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 35 K 8.50 4.22 0.00 1.29 1.32 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.28 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.85 0.88 7.81 36 G 7.90 3.70 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 0.00 0.00 0.00 37 T 8.49 3.88 4.21 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 0.00 0.00 0.00 1.22 0.00 0.00 38 S 7.83 3.70 0.00 4.11 3.95 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 39 T 7.78 4.26 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 40 R 8.21 4.49 0.00 1.78 1.85 0.00 3.37 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 41 K 8.44 4.12 0.00 1.77 1.72 0.00 1.67 0.00 0.00 1.86 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.37 7.81 42 P 0.00 4.58 0.00 2.17 2.15 0.00 3.78 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 1.98 1.95 0.00 43 R 7.38 4.02 0.00 1.90 2.00 0.00 3.06 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.59 0.00 44 P 0.00 4.54 0.00 2.20 2.09 0.00 3.74 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 1.98 1.95 0.00 45 V 7.87 4.50 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 0.75 0.00 0.00 0.93 0.00 0.00 46 S 8.24 4.70 0.00 3.93 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 47 Q 8.55 3.90 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.10 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 48 S 8.77 4.27 0.00 4.01 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 49 G 8.12 4.35 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 0.00 50 P 0.00 4.32 0.00 2.37 2.10 0.00 3.78 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 51 S 8.94 4.19 0.00 3.85 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 52 S 7.83 4.58 0.00 4.01 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 G 8.84 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00