NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.5449 0.0000 0.0000 62.7850 33.6464 174.1217 2 F 5.2724 8.7070 121.3098 56.0419 42.0637 172.5658 3 I 4.2926 8.2294 126.1965 59.2863 41.3241 173.1505 4 N 5.0477 8.4546 125.2071 51.6885 41.1148 173.2324 5 I 4.5343 8.7836 127.4454 59.3926 40.0042 174.6325 6 K 5.2016 8.7359 126.2281 54.5028 34.6047 175.3662 7 L 4.7049 9.0316 124.0121 54.5051 44.6520 174.6454 8 V 4.9797 7.7959 119.5364 59.9606 32.3760 173.8872 9 P 4.6753 0.0000 0.0000 63.0313 32.3694 175.6082 10 E 4.6051 9.1732 115.7367 57.0331 32.5048 175.6245 11 N 4.1430 9.7031 118.4878 54.9020 37.0881 175.2397 12 G 3.8746 8.3807 103.4121 45.7382 0.0000 173.3994 13 G 4.1318 7.5038 109.1135 42.4457 0.0000 170.8384 14 P 4.8874 0.0000 0.0000 62.4353 32.0137 177.0880 15 T 4.2228 9.1261 113.1584 61.3057 71.0084 175.5192 16 N 4.3296 8.5822 118.1453 56.1786 38.4249 177.3688 17 E 3.9486 8.0726 120.6117 59.3269 29.8991 178.6315 18 Q 4.1839 8.0871 118.1622 58.8646 28.7474 178.8829 19 K 3.9981 8.2697 119.6940 59.5400 32.0362 179.3904 20 Q 4.0220 8.0582 118.3421 59.1327 28.5500 178.9187 21 Q 4.0076 8.1982 119.0616 58.7218 28.5842 178.9041 22 L 3.9648 7.9388 120.1395 57.7906 41.7153 179.4485 23 I 3.6662 7.7706 119.6828 64.4258 37.0444 178.3964 24 E 4.0412 8.4103 119.4779 59.3679 29.3541 179.6204 25 G 3.6241 8.3634 106.1233 47.8930 0.0000 175.9272 26 V 3.6216 8.0512 121.0573 65.6790 31.5212 178.3868 27 S 4.1229 8.1054 114.9835 61.7548 62.6299 176.4411 28 D 4.3639 8.5754 122.0632 57.0662 40.4421 178.4727 29 L 3.9405 8.0222 120.9431 58.4603 42.0488 179.0296 30 M 4.0398 8.0622 118.5205 58.4915 31.9501 178.9672 31 V 3.8158 7.7873 118.3970 65.7865 31.4180 177.9877 32 K 3.9813 8.2251 119.1408 59.1595 32.1729 178.6141 33 V 3.9167 8.0238 117.8938 64.6060 31.6399 176.5273 34 L 4.6824 7.6111 114.7939 53.5144 42.5532 175.7738 35 N 4.9297 8.2909 113.2342 52.8598 36.1008 174.6310 36 K 4.0612 8.1808 118.0140 57.2619 32.9612 177.8786 37 N 4.6856 8.5153 120.2419 51.0608 36.8310 176.3150 38 K 3.9749 8.6511 127.3328 57.0605 31.9946 177.1391 39 A 4.1015 8.1347 120.9267 54.6944 18.2481 178.1206 40 S 4.5390 8.3063 108.2173 58.5076 63.9035 174.3245 41 I 4.1019 7.6105 123.5944 61.6126 37.2604 175.4725 42 V 4.4910 8.9454 128.0513 61.0767 33.8193 174.5772 43 V 4.7883 8.3662 126.2693 61.1686 34.7617 174.4854 44 I 4.6763 8.5137 126.9730 59.6527 41.1157 174.0628 45 I 4.8804 8.5236 127.4694 59.7290 39.0322 174.5587 46 D 5.0069 9.5233 127.6343 52.5812 43.4254 175.1243 47 E 5.0311 8.7965 122.3221 54.7530 31.6336 175.2978 48 V 4.4270 8.8847 125.3573 60.6702 33.9881 174.8671 49 D 4.6884 8.7644 126.9670 54.1839 42.0493 177.2791 50 S 4.1613 8.6728 119.1246 61.0111 63.1433 175.4392 51 N 4.6907 9.2396 117.6205 54.1589 38.6116 175.2148 52 N 4.7812 8.2416 114.7301 52.9158 39.7929 173.8110 53 Y 4.5656 7.9951 120.6952 55.4116 40.6563 174.3052 54 G 4.5281 8.3766 115.3889 43.6213 0.0000 171.8821 55 L 4.5481 8.7933 123.7185 54.1900 44.9178 176.9812 56 G 3.7726 9.8104 113.0314 46.1409 0.0000 174.0823 57 G 4.0508 8.4531 107.1521 44.8398 0.0000 173.6638 58 E 4.7844 8.0103 119.1282 54.1166 32.5856 175.6604 59 S 4.9015 8.2555 115.9114 58.1010 65.5808 175.6371 60 V 3.6523 8.7870 123.2538 66.0597 30.9428 178.1948 61 H 4.2095 8.0618 119.8222 60.3816 29.7392 177.4342 *62 H 4.2891 8.2258 120.5803 59.4762 27.5299 179.3719 63 L 4.3131 7.7732 119.6710 57.6865 41.5665 178.9059 64 R 4.2839 7.8868 115.8729 56.7953 30.3839 176.5257 65 Q 4.1131 7.5387 120.9414 56.1686 28.7777 174.9735 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 P 0.00 4.54 0.00 2.16 2.31 0.00 3.62 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 1.99 1.99 0.00 2 F 8.71 5.27 0.00 3.03 2.97 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 3 I 8.23 4.29 1.67 0.00 0.00 0.80 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 0.32 0.78 0.00 0.00 4 N 8.45 5.05 0.00 2.45 2.60 0.00 0.00 7.01 7.94 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 5 I 8.78 4.53 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.73 0.90 0.00 0.00 6 K 8.74 5.20 0.00 1.68 1.80 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.15 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.42 7.81 7 L 9.03 4.70 0.00 1.65 1.70 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 8 V 7.80 4.98 1.87 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 1.23 0.00 0.00 0.67 0.00 0.00 9 P 0.00 4.68 0.00 1.97 2.06 0.00 3.78 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.21 0.00 10 E 9.17 4.61 0.00 2.07 1.95 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 2.04 2.09 0.00 11 N 9.70 4.14 0.00 2.82 2.88 0.00 0.00 7.05 7.98 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 12 G 8.38 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 13 G 7.50 4.13 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 0.00 0.00 0.00 14 P 0.00 4.89 0.00 2.18 2.05 0.00 3.91 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 15 T 9.13 4.22 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 1.26 0.00 0.00 16 N 8.58 4.33 0.00 2.75 2.91 0.00 0.00 6.44 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 17 E 8.07 3.95 0.00 2.03 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 2.37 2.39 0.00 18 Q 8.09 4.18 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 19 K 8.27 4.00 0.00 1.97 1.85 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.45 1.69 7.81 20 Q 8.06 4.02 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.65 0.00 21 Q 8.20 4.01 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.70 0.00 22 L 7.94 3.96 0.00 1.86 1.69 0.91 0.53 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 23 I 7.77 3.67 1.99 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.84 0.90 0.00 0.00 24 E 8.41 4.04 0.00 2.14 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 2.33 2.53 0.00 25 G 8.36 3.62 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 0.00 0.00 0.00 26 V 8.05 3.62 2.04 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 0.97 0.00 0.00 0.94 0.00 0.00 27 S 8.11 4.12 0.00 4.07 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 28 D 8.58 4.36 0.00 2.68 2.71 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 29 L 8.02 3.94 0.00 1.89 1.87 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 30 M 8.06 4.04 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.91 0.00 31 V 7.79 3.82 2.21 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 1.04 0.00 0.00 1.02 0.00 0.00 32 K 8.23 3.98 0.00 1.82 2.00 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.44 7.81 33 V 8.02 3.92 2.12 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 0.89 0.00 0.00 0.96 0.00 0.00 34 L 7.61 4.68 0.00 1.63 1.61 0.93 0.94 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 35 N 8.29 4.93 0.00 2.84 2.88 0.00 0.00 7.31 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 36 K 8.18 4.06 0.00 1.75 1.77 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.42 7.81 37 N 8.52 4.69 0.00 2.64 2.74 0.00 0.00 6.63 7.51 0.00 0.00 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 8.65 3.97 0.00 1.67 1.90 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.06 7.81 39 A 8.13 4.10 1.30 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 0.00 0.00 40 S 8.31 4.54 0.00 3.95 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 41 I 7.61 4.10 1.99 0.00 0.00 0.86 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 0.73 0.91 0.00 0.00 42 V 8.95 4.49 2.33 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 1.27 0.00 0.00 1.01 0.00 0.00 43 V 8.37 4.79 2.05 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 0.80 0.00 0.00 0.88 0.00 0.00 44 I 8.51 4.68 1.95 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.80 1.01 0.00 0.00 45 I 8.52 4.88 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.55 0.91 0.00 0.00 46 D 9.52 5.01 0.00 2.58 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.80 5.03 0.00 1.84 1.88 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 2.23 2.28 0.00 48 V 8.88 4.43 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.04 0.00 0.00 49 D 8.76 4.69 0.00 2.81 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.67 4.16 0.00 4.16 4.13 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 51 N 9.24 4.69 0.00 2.81 2.90 0.00 0.00 6.88 6.92 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 52 N 8.24 4.78 0.00 2.86 2.86 0.00 0.00 6.71 8.23 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 53 Y 8.00 4.57 0.00 3.05 2.71 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 54 G 8.38 4.53 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 0.00 0.00 0.00 55 L 8.79 4.55 0.00 1.84 1.55 1.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 56 G 9.81 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 57 G 8.45 4.05 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 0.00 58 E 8.01 4.78 0.00 2.06 1.85 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 2.23 2.21 0.00 59 S 8.26 4.90 0.00 4.25 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 60 V 8.79 3.65 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 0.90 0.00 0.00 0.88 0.00 0.00 61 H 8.06 4.21 0.00 3.21 3.35 0.00 6.00 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *62 H 8.23 4.29 0.00 2.98 3.06 0.00 7.26 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.77 4.31 0.00 1.79 1.75 1.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 64 R 7.89 4.28 0.00 1.83 1.95 0.00 3.08 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 65 Q 7.54 4.11 0.00 2.09 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.55 0.00 0.00 0.00 0.00 0.00 2.29 2.19 0.00 * Residues marked with a * may have inaccurate shift predictions.