NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 A 4.3225 8.2644 123.5884 52.0543 19.9558 176.0727 24 S 4.3990 8.4914 117.2461 56.5546 63.3873 172.2373 25 I 4.0997 8.3489 125.3110 61.9090 39.1745 175.6775 26 V 3.4584 7.6668 120.9162 62.1040 31.4733 176.1084 27 G 3.7407 7.7187 113.4299 44.4093 0.0000 170.4955 28 S 4.8351 7.5670 115.9316 56.5816 64.8810 173.5838 29 W 4.9682 9.1018 125.6844 54.9858 31.1468 175.6770 30 V 5.2731 8.9593 117.5246 59.7347 36.0199 174.1841 31 E 5.1507 9.3554 119.1616 54.0860 33.4351 172.9932 32 P 4.8249 0.0000 0.0000 62.6454 32.5518 176.3881 33 V 3.8754 8.4364 123.6767 61.7727 32.5506 173.8890 34 P 4.4327 0.0000 0.0000 64.3764 31.5223 176.8546 35 G 4.0144 9.3810 111.1893 45.4876 0.0000 173.6888 36 L 4.6450 7.7307 119.0970 52.0425 42.8566 176.5124 37 E 3.8893 8.9281 122.4925 59.4492 29.5726 179.0524 38 G 3.8929 8.0331 103.0814 45.9499 0.0000 172.8595 39 Q 4.8143 8.0207 119.2211 54.1758 31.9129 174.9521 40 V 5.1768 8.2232 113.1064 59.9417 35.5990 174.8783 41 Q 4.7184 9.1474 119.7624 54.4969 32.3085 174.8884 42 G 4.2020 7.7120 106.9457 46.3746 0.0000 171.3451 43 I 4.9613 7.6575 122.1847 59.2025 41.8754 175.5204 44 K 4.9303 8.7390 129.8308 53.8817 35.6544 174.1826 *46 E 4.5253 8.3944 119.1143 55.7642 31.1214 175.9372 47 E 4.3744 8.9148 121.6150 58.5528 29.9960 177.7661 48 G 3.8762 8.6706 111.0856 44.7485 0.0000 174.3543 49 G 3.1973 8.0850 107.4268 44.4601 0.0000 173.5059 50 V 4.2261 7.6081 119.6888 62.6931 32.1664 174.9762 51 A 5.4008 8.7098 128.8483 50.3895 22.2294 175.3860 52 S 4.9952 8.9591 113.6191 56.7052 66.8567 173.8253 53 S 4.8813 8.9684 118.1706 58.8180 63.9458 173.9181 54 V 4.0128 8.9080 124.0637 61.7942 32.9741 173.1231 55 N 4.5189 8.7040 127.1550 53.7157 35.0006 173.5629 *57 A 4.4374 7.9641 122.4237 52.3428 21.1869 178.6573 58 T 4.2837 7.7718 111.6341 65.5391 69.9146 174.4376 59 L 4.4731 7.8881 124.4759 54.0150 42.4211 176.4222 60 V 4.2750 8.7581 128.7691 61.1829 32.6935 174.4780 61 Y 4.6873 8.8078 126.2595 58.2721 38.2898 175.7924 62 E 4.8601 9.7062 120.0452 57.3753 33.5131 175.7609 63 S 5.3730 7.9381 111.6586 56.9662 66.5417 173.3090 64 W 5.7899 8.6646 117.3286 55.0722 31.3991 174.4189 65 K 4.2177 9.1626 121.8735 55.1899 35.6564 174.0959 66 Q 5.0209 8.7615 128.2196 54.7144 30.7315 174.5573 67 E 4.5334 9.1929 126.1571 55.1281 32.4503 176.3600 68 G 3.7992 8.2675 116.3500 47.3422 0.0000 173.2308 69 T 4.4153 8.5213 115.5157 60.9586 69.0872 173.9010 70 K 4.6802 8.1009 122.3357 55.1822 33.4992 174.8919 71 L 5.1834 8.3066 123.2463 53.4304 45.1188 174.7713 72 I 4.9328 9.2607 127.6536 59.7521 39.4393 174.4583 73 L 5.4462 9.1721 127.8226 53.3045 44.4285 175.8053 74 T 4.8419 8.6067 120.2458 61.9546 71.8980 174.3679 75 G 3.3016 6.6392 108.6549 46.3597 0.0000 172.0042 76 K 5.1742 8.2041 119.1873 54.7310 37.1349 175.4625 77 S 5.2460 9.3701 118.4758 56.7764 64.5504 172.7321 78 I 4.9837 8.6031 128.1225 59.1497 40.2255 175.3864 79 G 3.9873 9.1684 115.1048 46.1405 0.0000 172.0482 80 N 4.2291 9.7268 114.0303 54.1854 36.1360 175.3497 81 G 3.9786 8.5121 101.6869 46.2693 0.0000 173.9639 82 Q 4.6944 8.0848 117.3352 54.0059 32.6253 174.2428 83 T 5.1706 8.3207 115.3796 61.9778 72.2286 173.4414 84 I 4.5933 8.7882 126.7290 59.3231 40.3724 175.0718 85 E 4.7093 8.9510 126.9983 56.3497 30.4137 176.1877 86 F 5.0995 8.8627 117.1969 55.3169 42.1383 174.0457 87 V 4.8477 8.5932 119.0343 61.7965 33.8553 173.8130 88 D 5.1437 9.6864 129.0327 53.0098 43.0925 176.1334 89 T 5.2773 8.3402 118.5416 61.0567 71.8830 173.3742 *91 D 4.3853 8.3411 121.7547 54.3799 42.7479 174.8554 92 I 4.3327 8.5208 124.8794 60.8553 36.8712 175.9445 93 K 4.2879 9.0150 128.1717 58.1393 33.1311 177.5660 94 R 4.5996 7.6058 118.5963 55.0649 33.7344 174.0671 95 L 4.7756 8.3366 128.0347 54.6723 42.9516 174.0525 96 T 4.7755 9.0182 117.5768 59.4988 71.8600 174.3248 97 A 4.3555 8.7921 122.9018 54.8527 18.4926 178.0607 98 D 4.9692 7.8464 111.9336 54.3003 43.0341 175.8580 99 S 5.5285 8.4018 114.7328 56.8175 67.9835 173.1176 100 L 4.6604 8.9008 124.0831 53.5606 45.1059 174.8633 101 V 4.7187 8.6211 126.9910 61.0277 34.0447 174.1920 102 L 5.2338 8.9906 127.6549 52.9680 45.1463 175.0041 103 D 5.0860 8.9491 123.2880 52.5074 43.0918 175.6117 104 N 4.7852 8.5204 121.5988 52.2176 41.0127 175.2177 105 Q 3.1981 8.2172 128.0953 57.3142 28.4869 176.9041 106 G 3.7553 8.5710 113.0282 45.6276 0.0000 172.6505 *108 E 4.2587 7.6327 117.6871 55.9053 31.4720 175.3640 109 I 4.3823 8.8357 125.8475 59.0825 41.2501 173.9751 110 R 4.8960 8.3739 127.7202 54.7291 32.2115 174.6691 111 Y 5.3466 9.2579 121.8447 56.1913 41.4980 174.6620 112 A 5.4670 9.2203 123.9193 50.0362 22.2603 175.5563 113 K 3.7896 8.7999 123.8414 55.6504 32.8049 176.7429 114 Q 4.0694 8.5020 130.3222 56.2623 29.3791 177.3237 115 K 4.0593 8.4465 124.0484 54.7618 31.9160 173.9720 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 23 A 8.26 4.32 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 24 S 8.49 4.40 0.00 3.97 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 25 I 8.35 4.10 1.75 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.59 0.35 0.00 0.00 26 V 7.67 3.46 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 0.80 0.00 0.00 1.07 0.00 0.00 27 G 7.72 3.74 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 0.00 0.00 0.00 28 S 7.57 4.84 0.00 3.56 3.63 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 29 W 9.10 4.97 0.00 2.79 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 30 V 8.96 5.27 2.19 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 0.77 0.00 0.00 1.01 0.00 0.00 31 E 9.36 5.15 0.00 2.02 2.26 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 2.63 2.39 0.00 32 P 0.00 4.82 0.00 1.98 2.05 0.00 3.71 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 33 V 8.44 3.88 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 1.00 0.00 0.00 0.96 0.00 0.00 34 P 0.00 4.43 0.00 2.08 2.00 0.00 3.78 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 35 G 9.38 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 0.00 0.00 0.00 36 L 7.73 4.64 0.00 1.69 1.73 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.93 3.89 0.00 1.95 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 2.34 2.36 0.00 38 G 8.03 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 0.00 0.00 0.00 39 Q 8.02 4.81 0.00 2.20 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.64 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 40 V 8.22 5.18 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 0.77 0.00 0.00 0.94 0.00 0.00 41 Q 9.15 4.72 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 42 G 7.71 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 0.00 0.00 0.00 0.00 43 I 7.66 4.96 1.51 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.36 0.53 0.00 0.00 44 K 8.74 4.93 0.00 1.79 1.65 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.16 7.81 *46 E 8.39 4.53 0.00 2.24 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 2.34 2.43 0.00 47 E 8.91 4.37 0.00 2.29 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 2.32 1.89 0.00 48 G 8.67 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 0.00 0.00 0.00 0.00 49 G 8.09 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 0.00 0.00 0.00 50 V 7.61 4.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.96 0.00 0.00 51 A 8.71 5.40 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.96 5.00 0.00 3.92 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 53 S 8.97 4.88 0.00 3.88 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 54 V 8.91 4.01 2.18 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 0.97 0.00 0.00 0.91 0.00 0.00 55 N 8.70 4.52 0.00 3.04 2.88 0.00 0.00 7.09 7.35 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 *57 A 7.96 4.44 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 58 T 7.77 4.28 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 1.25 0.00 0.00 59 L 7.89 4.47 0.00 1.55 1.57 0.44 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.76 4.28 2.19 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 1.02 0.00 0.00 0.97 0.00 0.00 61 Y 8.81 4.69 0.00 3.04 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 62 E 9.71 4.86 0.00 1.89 1.90 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 2.21 2.18 0.00 63 S 7.94 5.37 0.00 3.90 3.90 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 64 W 8.66 5.79 0.00 3.43 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 65 K 9.16 4.22 0.00 1.64 1.59 0.00 1.51 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.23 7.81 66 Q 8.76 5.02 0.00 2.47 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.65 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 67 E 9.19 4.53 0.00 2.00 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 2.21 2.22 0.00 68 G 8.27 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 69 T 8.52 4.42 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 70 K 8.10 4.68 0.00 1.93 1.77 0.00 1.63 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.51 7.81 71 L 8.31 5.18 0.00 1.74 1.50 1.15 0.88 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 72 I 9.26 4.93 1.92 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 1.39 1.09 0.97 0.00 0.00 73 L 9.17 5.45 0.00 1.93 1.98 0.86 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 74 T 8.61 4.84 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 1.16 0.00 0.00 75 G 6.64 3.30 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 0.00 76 K 8.20 5.17 0.00 1.63 1.64 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.58 1.38 7.81 77 S 9.37 5.25 0.00 3.89 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 78 I 8.60 4.98 1.88 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 1.17 1.15 0.92 0.00 0.00 79 G 9.17 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 0.00 0.00 0.00 80 N 9.73 4.23 0.00 2.85 2.89 0.00 0.00 6.92 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 81 G 8.51 3.98 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 0.00 0.00 0.00 82 Q 8.08 4.69 0.00 2.19 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.71 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 83 T 8.32 5.17 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 84 I 8.79 4.59 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.73 0.96 0.00 0.00 85 E 8.95 4.71 0.00 1.85 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 2.30 2.22 0.00 86 F 8.86 5.10 0.00 3.01 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 87 V 8.59 4.85 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 0.90 0.00 0.00 0.94 0.00 0.00 88 D 9.69 5.14 0.00 2.81 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 89 T 8.34 5.28 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 1.24 0.00 0.00 *91 D 8.34 4.39 0.00 2.61 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 92 I 8.52 4.33 1.93 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.45 0.82 0.00 0.00 93 K 9.01 4.29 0.00 1.55 1.82 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.77 7.81 94 R 7.61 4.60 0.00 1.81 1.65 0.00 3.16 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 95 L 8.34 4.78 0.00 1.50 1.46 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 96 T 9.02 4.78 4.29 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 1.23 0.00 0.00 97 A 8.79 4.36 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 98 D 7.85 4.97 0.00 2.73 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.40 5.53 0.00 3.80 3.74 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 0.00 100 L 8.90 4.66 0.00 0.27 0.57 0.52 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.62 4.72 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 0.89 0.00 0.00 0.88 0.00 0.00 102 L 8.99 5.23 0.00 1.45 1.45 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.95 5.09 0.00 2.46 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 0.00 104 N 8.52 4.79 0.00 2.60 2.68 0.00 0.00 7.28 7.08 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 0.00 105 Q 8.22 3.20 0.00 2.21 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.42 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 106 G 8.57 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 0.00 0.00 0.00 *108 E 7.63 4.26 0.00 2.03 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 2.11 2.47 0.00 109 I 8.84 4.38 1.68 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 -0.12 0.81 0.00 0.00 110 R 8.37 4.90 0.00 1.61 1.78 0.00 3.17 0.00 0.00 3.20 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 111 Y 9.26 5.35 0.00 2.97 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 A 9.22 5.47 1.29 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 0.00 0.00 113 K 8.80 3.79 0.00 1.06 1.49 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.64 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.21 1.01 7.81 114 Q 8.50 4.07 0.00 1.79 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.71 0.00 0.00 0.00 0.00 0.00 2.32 2.21 0.00 115 K 8.45 4.06 0.00 1.77 1.57 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.34 1.00 7.81 * Residues marked with a * may have inaccurate shift predictions.