NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 A 4.3224 8.2644 123.5892 52.0947 19.9624 175.9511 24 S 4.5228 8.4288 116.3315 56.2108 63.6664 172.3731 25 I 4.1357 8.4196 124.9896 62.0933 39.1712 175.7940 26 V 3.3800 7.5745 120.7937 62.1635 31.6135 175.9486 27 G 3.8129 7.6656 113.6740 44.1464 0.0000 171.1457 28 S 4.6205 7.4621 115.7681 56.5477 64.9108 173.6788 29 W 5.1953 8.7833 124.8013 55.0642 31.5820 175.2223 30 V 5.4537 9.3088 117.8092 59.7024 36.1180 174.1920 31 E 5.0976 9.3478 119.2071 53.8359 33.3305 173.3341 32 P 4.7456 0.0000 0.0000 62.7837 32.6167 176.3604 33 V 4.1472 8.4813 123.5528 60.8965 32.4098 173.8326 34 P 4.4426 0.0000 0.0000 64.2747 31.5441 176.5979 35 G 3.9702 9.0957 110.1995 45.0548 0.0000 173.2337 36 L 4.5290 7.4584 119.7700 52.0969 41.7452 174.8182 37 E 3.9673 8.3608 123.8273 57.5042 30.1179 177.3108 38 G 4.0088 9.1834 113.3715 45.2401 0.0000 172.7532 39 Q 4.7629 7.8857 118.1728 54.0244 32.5014 174.9306 40 V 5.1009 8.3870 114.7235 59.7917 36.0105 174.5167 41 Q 4.7368 9.1076 118.9103 54.7348 32.2415 175.3177 42 G 4.1144 7.6726 106.5388 46.4462 0.0000 171.0903 43 I 4.8756 7.6961 121.2792 59.5960 41.2007 175.6636 44 K 4.7864 8.8884 128.7045 54.9242 34.9585 174.4814 *46 E 4.5217 8.4091 118.4605 55.9001 31.1411 175.6954 47 E 4.2492 8.7804 122.0774 57.7094 30.2731 177.2158 48 G 3.8206 8.7087 112.5279 44.9537 0.0000 174.5573 49 G 3.3255 7.8175 106.4494 44.9426 0.0000 173.6904 50 V 4.4658 7.6750 119.7546 62.6776 32.1392 174.9738 51 A 5.4248 8.7806 129.1370 50.4029 22.0731 175.3168 52 S 5.0992 8.8317 113.3726 56.0859 67.0434 173.5333 53 S 4.8783 8.8455 117.3982 58.5724 64.0247 173.8779 54 V 4.0022 9.0142 124.4350 61.8259 33.0194 172.9268 55 N 4.4772 8.8658 127.5422 53.9518 36.3457 172.6466 *57 A 4.4607 8.0728 123.4262 51.9722 21.0560 178.5386 58 T 4.0809 7.9027 111.9460 66.0072 69.7818 174.6080 59 L 4.6666 7.8738 123.1124 53.5348 43.5287 176.1586 60 V 4.3429 8.8024 127.1547 61.1954 32.9410 174.1056 61 Y 4.4751 9.0512 126.5685 58.1652 38.8391 176.4265 62 E 4.7246 9.7121 120.9803 57.5405 33.2741 175.7951 63 S 5.4144 7.9876 111.9800 57.1798 66.9863 173.1704 64 W 5.8316 8.5581 116.5701 55.5269 31.4953 174.2575 65 K 3.9244 9.0365 120.6689 55.4673 35.6753 173.7872 66 Q 5.0699 8.7007 128.7531 54.7692 30.7345 174.5892 67 E 4.5182 8.9718 125.6820 55.0748 32.4293 176.1200 68 G 4.0529 8.2813 116.2864 47.3876 0.0000 173.1418 69 T 4.4146 8.4810 115.3424 61.1996 69.0551 173.7246 70 K 4.8057 8.1458 122.4377 55.2768 34.5538 175.0438 71 L 5.1195 8.4133 124.7815 53.4241 45.1080 174.7059 72 I 4.7772 9.0542 127.5371 59.7721 39.4528 174.5823 73 L 5.6211 9.3478 127.3214 53.1945 45.1476 175.7638 74 T 4.9740 9.1773 112.6578 58.5454 72.6801 174.3258 75 G 3.2889 6.2825 107.1673 45.8926 0.0000 171.3378 76 K 5.1756 7.7383 118.4577 55.3518 36.8305 175.4184 77 S 5.2388 8.9915 115.5831 56.7246 65.8579 172.7630 78 I 4.5507 8.6761 124.7828 60.0527 38.2327 175.4754 79 G 4.1197 8.7910 117.1914 43.2664 0.0000 171.7825 80 N 4.3563 8.6145 118.1205 53.7478 38.0530 175.0708 81 G 3.9338 8.9856 114.3595 45.8584 0.0000 171.7414 82 Q 4.6056 7.4308 115.3801 54.9740 32.3769 173.2005 83 T 5.0527 8.0375 119.0081 62.7113 72.9656 172.8902 84 I 4.6409 8.5403 126.2316 59.4541 40.7096 174.9235 85 E 4.7573 8.9073 126.5428 56.1789 30.3620 175.9506 86 F 5.0717 8.5429 117.2176 55.2439 42.1861 174.0905 87 V 4.7341 8.5638 118.7138 61.7569 33.7874 173.8395 88 D 5.1814 9.6830 128.8790 52.9657 43.2758 176.0345 89 T 5.3933 8.2818 117.7824 60.8898 72.3474 173.0812 *91 D 4.5223 8.3628 121.5009 54.4475 42.7807 174.7983 92 I 4.3195 8.6983 124.4335 60.5940 37.1509 175.9214 93 K 4.3024 9.0619 127.9294 58.1724 33.2188 177.3666 94 R 4.5857 7.6199 118.0968 55.2324 33.6743 174.1164 95 L 4.7856 8.2863 127.6239 54.8396 44.2035 173.9060 96 T 4.7841 8.6252 117.7014 59.6669 71.7165 173.4544 97 A 4.1942 8.7830 122.7747 54.8792 18.5789 178.0530 98 D 5.0175 8.1986 112.9012 54.2429 42.7959 175.5441 99 S 5.4211 8.3263 114.8616 56.8227 67.9732 172.9349 100 L 4.6225 8.8831 124.5364 53.2963 45.1533 174.9706 101 V 4.8236 8.5685 126.4871 61.1063 34.0929 174.1195 102 L 5.2020 8.8668 127.7755 52.9701 44.9748 175.2007 103 D 4.8939 8.9593 121.7269 52.9623 43.5441 175.5117 104 N 4.5523 9.1353 127.4898 53.3681 38.0664 175.4110 105 Q 3.2256 9.5264 125.0254 55.6755 25.8951 174.1936 106 G 3.8445 9.1121 106.4720 45.8944 0.0000 172.3651 *108 E 4.3249 7.4665 116.8842 56.0228 31.2979 175.4613 109 I 4.5739 8.8264 125.3207 59.2887 41.9314 173.6877 110 R 4.9581 8.3486 126.9457 54.6075 32.4216 174.7787 111 Y 5.1156 9.2717 120.9265 56.1849 41.8799 174.4239 112 A 5.4208 9.0443 123.8897 50.0024 22.0372 176.1206 113 K 3.7657 8.6477 123.2128 55.9456 32.8262 176.5101 114 Q 4.0595 8.9948 132.7285 56.5310 29.6018 176.7460 115 K 4.1535 8.4905 126.8523 54.6501 32.5500 172.4374 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 1.32 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 24 S 8.43 4.52 0.00 3.98 3.81 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 25 I 8.42 4.14 1.83 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.60 0.75 0.00 0.00 26 V 7.57 3.38 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 0.81 0.00 0.00 1.13 0.00 0.00 27 G 7.67 3.81 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 0.00 28 S 7.46 4.62 0.00 3.55 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 29 W 8.78 5.20 0.00 2.79 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 30 V 9.31 5.45 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 0.80 0.00 0.00 1.04 0.00 0.00 31 E 9.35 5.10 0.00 1.90 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 0.00 2.46 2.28 0.00 32 P 0.00 4.75 0.00 1.96 2.03 0.00 3.65 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 33 V 8.48 4.15 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 0.98 0.00 0.00 0.96 0.00 0.00 34 P 0.00 4.44 0.00 2.21 2.04 0.00 3.84 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 35 G 9.10 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 36 L 7.46 4.53 0.00 1.71 1.60 0.93 0.77 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 37 E 8.36 3.97 0.00 1.92 1.86 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 2.29 2.32 0.00 38 G 9.18 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 39 Q 7.89 4.76 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.57 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 40 V 8.39 5.10 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 0.76 0.00 0.00 0.95 0.00 0.00 41 Q 9.11 4.74 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 42 G 7.67 4.11 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 0.00 0.00 0.00 43 I 7.70 4.88 1.48 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.35 0.64 0.00 0.00 44 K 8.89 4.79 0.00 1.73 1.68 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.30 7.81 *46 E 8.41 4.52 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 2.33 2.38 0.00 47 E 8.78 4.25 0.00 2.28 1.92 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 2.29 1.88 0.00 48 G 8.71 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 0.00 0.00 0.00 49 G 7.82 3.33 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 0.00 50 V 7.67 4.47 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 0.86 0.00 0.00 0.97 0.00 0.00 51 A 8.78 5.42 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.83 5.10 0.00 3.91 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 8.85 4.88 0.00 3.90 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 9.01 4.00 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 0.94 0.00 0.00 0.92 0.00 0.00 55 N 8.87 4.48 0.00 2.87 2.96 0.00 0.00 7.16 7.96 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 *57 A 8.07 4.46 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 58 T 7.90 4.08 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 1.29 0.00 0.00 59 L 7.87 4.67 0.00 1.66 1.64 0.74 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.80 4.34 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 1.02 0.00 0.00 0.95 0.00 0.00 61 Y 9.05 4.48 0.00 3.07 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 62 E 9.71 4.72 0.00 1.76 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 2.20 2.31 0.00 63 S 7.99 5.41 0.00 3.78 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 64 W 8.56 5.83 0.00 3.48 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 65 K 9.04 3.92 0.00 1.63 1.57 0.00 1.49 0.00 0.00 1.50 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.26 1.16 7.81 66 Q 8.70 5.07 0.00 2.41 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.65 0.00 0.00 0.00 0.00 0.00 2.43 2.62 0.00 67 E 8.97 4.52 0.00 2.02 1.83 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 2.20 2.21 0.00 68 G 8.28 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 69 T 8.48 4.41 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 8.15 4.81 0.00 1.80 1.77 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.77 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.53 7.81 71 L 8.41 5.12 0.00 1.75 1.50 1.20 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 72 I 9.05 4.78 2.00 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 1.27 0.64 1.02 0.00 0.00 73 L 9.35 5.62 0.00 1.84 1.96 0.84 0.37 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 74 T 9.18 4.97 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 1.23 0.00 0.00 75 G 6.28 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 0.00 0.00 0.00 76 K 7.74 5.18 0.00 1.82 1.90 0.00 1.23 0.00 0.00 1.79 0.00 0.00 3.19 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.22 1.35 7.81 77 S 8.99 5.24 0.00 3.91 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 78 I 8.68 4.55 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 1.41 0.88 0.92 0.00 0.00 79 G 8.79 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.61 4.36 0.00 2.82 2.75 0.00 0.00 6.81 8.28 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 81 G 8.99 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 82 Q 7.43 4.61 0.00 2.19 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.50 6.63 0.00 0.00 0.00 0.00 0.00 2.26 2.20 0.00 83 T 8.04 5.05 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 84 I 8.54 4.64 1.93 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 1.08 0.95 0.00 0.00 85 E 8.91 4.76 0.00 1.81 1.77 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 2.25 2.19 0.00 86 F 8.54 5.07 0.00 3.05 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 87 V 8.56 4.73 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 0.89 0.00 0.00 0.93 0.00 0.00 88 D 9.68 5.18 0.00 2.79 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 8.28 5.39 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 8.36 4.52 0.00 2.75 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 8.70 4.32 1.91 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 1.14 0.55 0.81 0.00 0.00 93 K 9.06 4.30 0.00 1.91 1.83 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.43 1.25 7.81 94 R 7.62 4.59 0.00 1.82 1.66 0.00 3.17 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 95 L 8.29 4.79 0.00 1.51 1.46 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 96 T 8.63 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 8.78 4.19 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 8.20 5.02 0.00 2.75 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 8.33 5.42 0.00 3.77 3.72 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 0.00 100 L 8.88 4.62 0.00 0.27 0.51 0.47 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.57 4.82 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 0.92 0.00 0.00 0.89 0.00 0.00 102 L 8.87 5.20 0.00 1.64 1.52 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.96 4.89 0.00 2.59 2.51 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 0.00 0.00 0.00 0.00 104 N 9.14 4.55 0.00 2.73 2.77 0.00 0.00 7.19 7.69 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 0.00 105 Q 9.53 3.23 0.00 2.18 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.14 0.00 0.00 0.00 0.00 0.00 2.19 1.90 0.00 106 G 9.11 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 *108 E 7.47 4.32 0.00 1.99 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 0.00 2.15 2.43 0.00 109 I 8.83 4.57 1.74 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 1.13 0.94 0.00 0.00 110 R 8.35 4.96 0.00 1.60 1.76 0.00 3.14 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 111 Y 9.27 5.12 0.00 2.84 3.08 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 0.00 0.00 0.00 0.00 112 A 9.04 5.42 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 0.00 113 K 8.65 3.77 0.00 1.24 1.57 0.00 1.13 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.25 1.09 7.81 114 Q 8.99 4.06 0.00 1.94 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.51 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 115 K 8.49 4.15 0.00 1.78 1.51 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.24 0.96 7.81 * Residues marked with a * may have inaccurate shift predictions.