NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 I 4.2056 8.0093 121.4370 61.5773 38.5413 175.2548 5 N 5.0114 8.6585 121.1101 49.2592 38.2291 172.2632 6 T 4.6846 8.5099 110.2295 60.5887 73.3695 175.7448 7 F 4.3193 8.3866 120.7848 61.1319 39.0211 177.7615 8 D 4.5143 8.3062 117.8500 57.2845 40.8087 178.7059 9 G 3.7541 7.9052 105.8696 48.0859 0.0000 175.8711 10 V 3.6395 8.2857 121.3479 65.2837 31.6586 177.7661 11 A 4.0651 8.2447 120.6316 55.4474 18.0994 179.2658 12 D 4.2693 8.5287 117.6402 57.6701 40.9266 178.3913 13 Y 4.0206 7.8877 119.3721 60.7232 38.7890 178.2118 14 L 3.9927 8.0031 119.7267 58.0842 41.5571 179.6919 15 Q 3.6173 7.6301 116.0878 58.3270 28.5674 178.3966 16 T 3.6620 6.7065 115.6674 65.5699 68.0136 176.1561 17 Y 4.2718 7.3954 116.6344 57.2340 38.0531 175.8169 18 H 3.5656 7.2085 116.0266 55.5530 26.9234 174.1746 19 K 4.6120 7.1685 115.7195 56.1215 35.4410 174.7360 20 L 4.2787 8.2474 119.2202 53.1852 42.7876 175.4178 21 P 3.7915 0.0000 0.0000 62.3439 31.7272 177.4049 22 D 4.5214 8.3639 119.4200 56.7150 40.9870 177.2761 23 N 4.5000 8.0140 115.6323 53.4944 37.6630 173.7550 24 Y 5.1843 7.8031 117.8151 56.8120 40.3704 174.6901 25 I 4.9278 8.5727 115.2662 59.2791 41.7055 174.9557 26 T 4.6958 9.1432 114.9181 61.1781 70.2592 175.7407 27 K 4.0020 9.2657 121.3793 59.5881 31.9279 179.9578 28 S 4.2570 8.1054 114.1862 61.4860 62.7001 176.2843 29 E 3.9811 8.2345 121.5696 59.0063 29.1182 179.0682 30 A 4.0305 8.3715 121.1837 55.2495 18.3570 179.6117 31 Q 4.2610 8.5245 116.2915 59.3766 28.6863 179.1745 32 A 4.0471 7.8792 119.8711 54.6121 18.4602 178.7216 33 L 4.3711 7.3414 115.1511 54.8709 42.0724 177.5269 34 G 4.1305 8.0062 107.7670 44.7359 0.0000 173.7894 35 W 4.3798 8.3973 130.5203 57.1717 31.2246 175.5637 36 V 3.7904 9.1723 125.3464 60.5596 32.5176 175.3854 37 A 3.5341 7.4886 131.1873 55.3882 18.0320 179.4991 38 S 4.4385 7.8402 108.9099 60.5896 62.9740 175.0719 39 K 4.2979 7.9092 118.4571 55.2380 33.0259 176.2121 40 G 3.0083 7.4772 108.3394 46.5018 0.0000 174.1777 41 N 5.1608 7.7266 110.8941 51.5730 38.4580 176.1888 42 L 3.9590 8.5162 121.9953 59.0527 41.7346 178.8655 43 A 4.3381 8.1125 117.5876 54.4370 18.4184 178.8136 44 D 4.4377 8.4288 118.5790 57.2530 40.8136 178.7121 45 V 4.0281 7.7766 110.0235 61.8466 33.7279 176.4258 46 A 4.6637 8.3650 121.5298 49.2365 19.0078 173.2306 47 P 4.4361 0.0000 0.0000 63.5585 32.2920 177.7622 48 G 3.9397 8.8877 110.6469 45.3357 0.0000 173.5391 49 K 5.0955 7.3408 118.1293 55.1900 33.6711 176.3347 50 S 4.4548 7.7542 116.0583 56.6521 67.8352 173.4245 51 I 4.2562 7.9479 122.9851 61.2460 38.0439 175.3805 52 G 4.2754 9.1277 111.8325 47.2012 0.0000 173.5328 53 G 4.3769 9.5852 110.0628 44.7172 0.0000 174.2563 54 D 4.7175 8.1348 119.9942 53.8319 42.2606 176.0201 55 I 4.2901 8.4143 122.6764 61.5986 38.0323 174.9872 56 F 4.8593 9.1106 128.6632 56.6159 40.3327 175.9836 57 S 3.9384 8.1067 122.3215 59.5722 63.1952 173.7798 58 N 3.8078 5.9423 119.3837 54.7678 36.9882 176.9101 *59 R 3.9526 7.7750 116.2432 59.1395 28.7534 179.7133 60 E 4.2510 8.1934 115.8351 55.7782 29.6225 177.0389 61 G 3.8612 7.7437 106.7763 46.4726 0.0000 175.5308 62 K 4.1160 7.5300 117.6298 57.5442 32.4606 177.4557 63 L 4.1976 7.2179 117.6497 51.2522 43.9629 174.3793 64 P 4.2255 0.0000 0.0000 63.0981 31.7183 176.7898 65 G 3.8015 8.6103 111.8459 45.6006 0.0000 172.6213 66 K 4.6109 8.3042 121.5857 53.9981 36.7037 175.5918 67 S 4.3413 8.2868 114.5548 57.9527 63.5548 175.4203 68 G 3.6662 8.8620 111.9754 49.0992 0.0000 175.5798 *69 R 4.6308 7.7463 115.8016 55.9422 30.1619 179.3101 70 C 4.3728 7.9771 117.5322 58.2485 39.3004 173.2453 71 W 5.2274 7.8754 120.2560 54.9414 31.1658 175.3432 72 R 5.1897 8.7808 122.7456 54.2989 34.3632 173.7535 73 E 5.4267 8.8721 116.9910 55.3178 33.8140 174.0203 74 A 5.0394 8.7679 120.2331 50.7003 22.9846 175.5562 75 D 5.0166 9.2863 121.3272 54.3523 41.4520 176.1357 76 I 4.4235 8.1654 121.8854 60.0718 41.0317 175.6846 77 N 4.5487 8.6417 120.2989 54.1881 36.7620 173.7626 78 Y 4.2899 7.3466 120.1381 57.6271 39.5730 174.7897 79 T 3.9678 7.2125 121.5998 64.0850 70.8483 173.8957 80 S 4.2810 6.3900 110.6023 58.8835 65.7503 175.3997 81 G 3.9074 8.6706 106.2699 45.5202 0.0000 173.3466 82 F 4.4703 8.6316 119.7467 57.0203 39.8138 175.4911 83 R 4.2660 8.7414 122.1552 56.5828 30.7505 177.1575 84 N 4.9702 8.5258 118.6597 52.4057 39.9261 175.2900 85 S 4.2159 8.5202 114.9440 58.6504 64.3135 172.7864 86 D 5.4119 8.1982 121.7337 53.6386 42.2897 175.8341 87 R 4.9304 9.3677 121.7215 54.6755 35.4084 173.6374 88 I 5.1577 8.8597 121.8102 59.4371 40.8720 174.1479 89 L 5.5059 9.4881 129.0217 53.1208 44.7288 175.0421 90 Y 5.7157 8.9205 121.5636 55.4206 41.6490 175.0792 91 S 4.6650 8.3571 116.7224 55.8773 65.2078 174.5586 92 C 3.7180 8.0909 117.3863 58.8755 39.9431 174.5492 93 D 4.5716 7.1359 117.6241 52.1964 39.1347 175.8419 94 W 3.7870 6.3790 116.7030 58.3681 27.3161 174.6146 95 L 4.4910 7.9097 117.8095 54.5416 42.2605 176.1493 96 I 5.5146 8.5485 122.0316 60.0601 40.8608 174.2491 97 Y 5.2652 9.8949 123.8774 55.9996 42.5154 174.4377 98 K 5.2558 9.2525 119.2998 55.6578 36.5397 175.0909 99 T 4.9368 8.9895 115.5090 60.4519 70.9069 174.0220 100 T 4.8520 8.6417 115.4700 60.0717 69.9609 173.7054 101 D 4.6394 7.5908 120.8402 53.8978 39.7900 174.8616 102 H 3.5670 8.5071 111.1667 58.4326 26.7857 175.2634 103 Y 3.1123 7.0709 109.3067 59.0276 35.7638 171.6877 104 Q 4.2229 7.7781 121.6860 57.8909 29.2372 176.5926 105 T 4.6843 7.9358 105.6035 59.6574 71.8101 172.9218 106 F 5.3368 8.5498 120.0856 56.2613 43.3389 174.1879 107 T 4.7516 8.8282 117.4664 61.3846 71.9943 173.4453 108 K 3.4036 8.7117 128.0912 56.2477 32.3252 176.2515 109 I 4.5008 8.6904 119.1574 60.5110 39.8319 175.7992 110 R 4.1691 7.5392 126.8917 56.5944 31.1372 174.5483 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 4 I 8.01 4.21 1.81 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.00 0.94 0.00 0.00 5 N 8.66 5.01 0.00 2.83 2.82 0.00 0.00 6.37 6.34 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 6 T 8.51 4.68 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 1.19 0.00 0.00 7 F 8.39 4.32 0.00 3.13 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 8 D 8.31 4.51 0.00 2.75 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 9 G 7.91 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 0.00 0.00 0.00 10 V 8.29 3.64 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 0.84 0.00 0.00 1.07 0.00 0.00 11 A 8.24 4.07 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.53 4.27 0.00 2.94 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.89 4.02 0.00 3.19 3.10 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 0.00 0.00 0.00 0.00 14 L 8.00 3.99 0.00 2.00 1.73 0.50 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 7.63 3.62 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 16 T 6.71 3.66 3.05 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 0.15 0.00 0.00 17 Y 7.40 4.27 0.00 2.29 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.21 3.57 0.00 3.27 3.43 0.00 5.71 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.17 4.61 0.00 2.08 1.88 0.00 1.73 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.67 1.68 7.81 20 L 8.25 4.28 0.00 1.67 1.50 0.85 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 3.79 0.00 2.27 1.27 0.00 3.49 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.47 0.00 22 D 8.36 4.52 0.00 2.62 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 23 N 8.01 4.50 0.00 2.78 2.90 0.00 0.00 6.19 7.57 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 24 Y 7.80 5.18 0.00 3.13 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 25 I 8.57 4.93 1.86 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.83 0.90 0.00 0.00 26 T 9.14 4.70 4.62 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 1.28 0.00 0.00 27 K 9.27 4.00 0.00 1.98 2.21 0.00 1.80 0.00 0.00 1.92 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.70 1.65 7.81 28 S 8.11 4.26 0.00 4.10 4.19 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.23 3.98 0.00 2.23 2.06 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 2.36 2.37 0.00 30 A 8.37 4.03 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 31 Q 8.52 4.26 0.00 2.36 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.51 3.00 0.00 32 A 7.88 4.05 1.38 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 0.00 0.00 33 L 7.34 4.37 0.00 1.87 1.76 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.01 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 35 W 8.40 4.38 0.00 3.21 3.25 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 36 V 9.17 3.79 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 0.79 0.00 0.00 0.91 0.00 0.00 37 A 7.49 3.53 0.81 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 0.00 0.00 38 S 7.84 4.44 0.00 3.86 3.99 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 0.00 0.00 0.00 39 K 7.91 4.30 0.00 1.68 1.79 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.34 7.81 40 G 7.48 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.73 5.16 0.00 2.98 2.99 0.00 0.00 6.34 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 42 L 8.52 3.96 0.00 1.51 1.67 0.41 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.11 4.34 1.34 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 0.00 0.00 44 D 8.43 4.44 0.00 2.90 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 45 V 7.78 4.03 2.32 0.00 0.00 0.00 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 1.08 0.00 0.00 46 A 8.36 4.66 1.16 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 0.00 0.00 47 P 0.00 4.44 0.00 2.03 2.01 0.00 3.71 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.25 0.00 48 G 8.89 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 0.00 0.00 0.00 49 K 7.34 5.10 0.00 1.65 1.59 0.00 1.64 0.00 0.00 1.47 0.00 0.00 2.69 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.33 7.81 50 S 7.75 4.45 0.00 3.06 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.95 4.26 1.81 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.15 0.83 0.00 0.00 52 G 9.13 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.59 4.38 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 0.00 0.00 0.00 54 D 8.13 4.72 0.00 2.71 2.67 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 55 I 8.41 4.29 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.48 0.91 0.00 0.00 56 F 9.11 4.86 0.00 2.91 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 57 S 8.11 3.94 0.00 3.50 3.66 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 58 N 5.94 3.81 0.00 2.69 2.68 0.00 0.00 7.34 7.65 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 *59 R 7.78 3.95 0.00 1.87 1.84 0.00 3.31 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.23 0.00 60 E 8.19 4.25 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 61 G 7.74 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.53 4.12 0.00 1.89 2.06 0.00 1.98 0.00 0.00 1.98 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.50 7.81 63 L 7.22 4.20 0.00 0.75 0.53 -1.14 -0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.23 0.00 2.27 2.14 0.00 3.35 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.22 0.00 65 G 8.61 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.30 4.61 0.00 1.54 1.48 0.00 1.46 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.56 0.53 7.81 67 S 8.29 4.34 0.00 3.95 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 68 G 8.86 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 0.00 0.00 0.00 *69 R 7.75 4.63 0.00 1.82 1.78 0.00 3.26 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.19 0.00 70 C 7.98 4.37 0.00 3.00 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.88 5.23 0.00 3.46 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.78 5.19 0.00 0.67 1.47 0.00 3.09 0.00 0.00 3.42 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.37 0.00 73 E 8.87 5.43 0.00 2.14 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 0.00 2.47 2.39 0.00 74 A 8.77 5.04 1.07 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 0.00 0.00 75 D 9.29 5.02 0.00 2.63 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 I 8.17 4.42 1.21 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 1.17 0.96 -0.16 0.00 0.00 77 N 8.64 4.55 0.00 2.78 2.85 0.00 0.00 6.91 7.04 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 78 Y 7.35 4.29 0.00 2.84 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 79 T 7.21 3.97 3.99 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 0.00 0.00 1.06 0.00 0.00 80 S 6.39 4.28 0.00 3.84 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 81 G 8.67 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 82 F 8.63 4.47 0.00 3.18 3.15 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 83 R 8.74 4.27 0.00 1.99 1.95 0.00 3.22 0.00 0.00 3.54 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.72 0.00 84 N 8.53 4.97 0.00 2.85 2.96 0.00 0.00 5.97 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.52 4.22 0.00 3.80 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 D 8.20 5.41 0.00 2.80 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 87 R 9.37 4.93 0.00 1.61 1.91 0.00 3.57 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.99 0.00 88 I 8.86 5.16 2.17 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.92 1.05 0.00 0.00 89 L 9.49 5.51 0.00 1.60 1.35 1.05 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 8.92 5.72 0.00 3.15 3.20 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 0.00 91 S 8.36 4.67 0.00 2.93 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 C 8.09 3.72 0.00 2.61 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 93 D 7.14 4.57 0.00 2.65 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 94 W 6.38 3.79 0.00 3.57 3.42 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 95 L 7.91 4.49 0.00 1.91 1.91 1.03 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.55 5.51 1.97 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.06 1.11 0.00 0.00 97 Y 9.89 5.27 0.00 2.79 2.92 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 98 K 9.25 5.26 0.00 1.09 1.44 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.48 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.99 1.07 7.81 99 T 8.99 4.94 3.69 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 0.91 0.00 0.00 100 T 8.64 4.85 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 101 D 7.59 4.64 0.00 2.84 2.75 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 0.00 102 H 8.51 3.57 0.00 3.30 3.47 0.00 5.98 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.07 3.11 0.00 3.24 3.29 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 0.00 104 Q 7.78 4.22 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.67 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 105 T 7.94 4.68 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 1.20 0.00 0.00 106 F 8.55 5.34 0.00 2.88 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 T 8.83 4.75 4.18 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 1.16 0.00 0.00 108 K 8.71 3.40 0.00 1.13 1.47 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.21 1.12 7.81 109 I 8.69 4.50 1.82 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.85 0.81 0.00 0.00 110 R 7.54 4.17 0.00 1.86 1.82 0.00 3.33 0.00 0.00 3.38 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 * Residues marked with a * may have inaccurate shift predictions.