NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7476 8.2833 118.1255 52.7996 40.9053 175.8091 3 D 4.1897 8.1710 121.0485 57.1144 40.7657 177.1703 4 K 4.0351 8.7931 119.8024 59.2107 32.4264 179.2040 5 K 3.9610 7.9466 118.2872 59.6611 32.1021 179.2962 6 I 3.6967 8.1690 120.4660 64.1664 36.9532 178.2038 7 E 3.9106 8.3061 120.1692 59.1361 29.5842 178.5331 8 L 3.9914 8.0081 120.2722 58.2892 42.1374 178.7714 9 L 4.0592 8.1748 119.0855 58.1974 41.4270 179.7210 10 T 3.9231 8.1253 115.4977 67.1110 68.2186 176.9157 11 T 3.9713 7.8811 116.1840 66.5729 68.9020 175.9436 12 Y 4.1899 8.6627 121.8340 60.9685 38.9438 178.4417 13 L 4.3150 8.6383 120.0589 57.3651 41.4845 179.2911 14 S 4.4363 7.7526 113.2273 60.5961 63.1952 175.8497 15 L 4.1753 8.1175 122.3080 55.8198 41.2920 175.7171 16 Y 5.3558 7.4631 115.7588 56.2217 40.8685 174.9951 17 I 4.4941 8.4452 120.1871 58.8729 41.9125 173.9676 18 D 4.6358 8.6140 128.5671 54.5605 41.8216 176.8934 19 H 4.2400 9.2116 121.6280 58.7943 28.5491 177.3619 20 H 3.8085 8.0523 120.7846 59.4327 29.6412 177.1911 21 T 3.8395 7.7158 117.0715 66.4309 68.0672 176.7997 22 V 3.1381 7.1001 118.7899 65.7406 31.6676 177.6345 23 L 4.0489 7.9674 117.4252 57.9235 41.7347 178.9542 24 A 4.4062 7.8442 121.7240 54.3353 18.6375 180.2877 25 D 4.6933 7.8693 118.1957 54.1868 40.5400 178.1895 *27 Q 4.2992 8.1210 118.5929 55.7497 31.1857 176.9472 28 N 4.2696 8.8711 115.4617 54.1830 38.9294 175.2734 29 A 3.7287 7.7153 118.4319 53.8586 16.9999 178.4820 30 T 3.9770 7.7447 108.9528 63.7720 69.7658 175.5487 31 G 3.9888 7.3020 108.4473 46.2695 0.0000 173.1488 32 K 4.2558 8.2181 116.0027 56.9816 35.0634 177.1236 33 Y 5.1390 8.2216 118.8820 56.2660 40.0740 175.4036 34 V 4.3739 8.5996 123.1082 61.0684 34.7314 174.2957 35 V 4.6868 8.4859 127.8693 62.0583 33.3050 174.1987 36 L 5.1869 9.2541 127.9566 53.0402 44.3920 175.0574 37 D 4.9623 9.0321 125.1283 53.2496 41.6001 175.7291 38 V 4.4912 7.9810 119.4486 61.0764 32.8696 176.5311 39 R 4.3143 8.2143 117.7773 56.6448 29.7536 175.9948 40 N 4.7745 8.5947 117.6831 53.5609 39.1062 174.9123 *49 Q 4.1190 7.8411 115.7185 55.8918 30.1728 174.7474 50 I 4.1867 7.7736 120.8835 59.3031 38.2134 175.7216 51 K 4.1740 8.4166 125.9550 57.8219 32.2859 177.4980 52 G 3.9282 9.0145 112.0311 44.7907 0.0000 173.2412 53 A 4.4556 7.3998 121.5094 51.6947 19.5887 177.1254 54 I 4.2625 8.7725 122.9075 60.2030 38.5145 175.7750 55 A 4.5187 8.5226 128.9114 51.2203 19.5977 174.9075 *57 P 4.0997 0.0000 0.0000 61.9716 32.6355 178.1095 58 A 4.0546 8.2839 123.9100 54.9900 18.2725 180.0720 59 K 4.0882 8.0088 116.3913 59.3217 33.1008 178.2229 60 D 4.6756 7.7542 118.1171 54.5351 41.4655 177.8008 61 L 3.8987 7.7280 121.6790 58.0066 41.6963 178.3711 62 A 4.5953 7.6375 116.8877 52.6247 18.4267 177.4803 63 T 4.6183 7.9855 116.3321 66.0376 75.0496 175.4332 64 R 4.5958 8.1746 118.3678 55.8637 30.6699 177.9238 65 I 3.6466 7.7217 118.5217 63.2279 37.9386 176.7560 66 G 3.9849 7.9839 106.7793 46.6057 0.0000 173.5979 67 E 4.5683 8.6215 119.3102 55.7458 29.8373 175.0300 68 L 4.6470 7.2155 119.0038 52.8365 43.5526 175.8477 69 D 4.7417 9.2255 123.2130 52.7877 41.0417 175.3397 70 P 4.5958 0.0000 0.0000 65.5944 31.4402 177.2912 71 A 4.2784 8.6668 119.2259 52.8268 18.5248 176.9505 72 K 4.6496 8.0139 115.5087 54.6984 34.9858 175.8846 73 T 4.6372 8.5716 120.2105 62.5056 70.3938 173.4449 74 Y 4.9018 8.7150 124.8773 56.9584 40.1399 174.7780 75 V 4.8996 9.0971 124.3611 61.2676 33.9888 174.7322 76 V 4.5156 8.8320 122.9023 61.0018 33.3538 174.6176 77 Y 4.9386 9.1404 127.0687 55.9884 41.1987 174.0784 78 D 4.6629 8.3448 126.8485 51.7417 41.0800 175.8050 79 W 3.9288 8.2627 135.0000 60.4043 30.5883 177.4505 80 T 2.8315 7.0615 105.9841 61.9483 67.9569 174.5284 81 G 3.8205 7.9893 110.4876 46.4839 0.0000 174.9344 82 G 3.9089 7.5300 110.0014 44.9130 0.0000 175.1246 83 T 4.8208 8.3901 112.0513 61.3395 69.9562 174.1749 84 T 4.4104 7.8418 112.5352 63.0574 71.3257 175.6167 85 L 3.9837 8.1505 123.1740 57.9807 42.0345 179.0725 86 G 3.6687 7.8794 106.2870 47.2611 0.0000 175.5468 87 K 3.9425 7.9513 120.4605 59.3297 31.9174 179.4137 88 T 3.8104 8.1903 116.1066 66.6010 68.4094 176.5841 89 A 3.9576 7.8155 122.2033 54.9215 18.3443 179.4323 90 L 3.8316 8.2603 119.3609 58.1151 42.1497 178.8343 91 L 3.9061 8.1032 120.5622 58.2006 41.8522 179.2119 92 V 3.5699 7.5409 118.0361 65.9535 31.5176 178.0360 93 L 4.0640 7.9207 118.6814 57.9085 41.5152 179.5876 94 L 4.3099 8.2493 120.6823 57.4293 41.3481 179.7723 95 S 4.2076 8.0312 113.8321 60.8341 62.7943 175.5287 96 A 4.4357 7.5522 121.5709 51.8651 18.7046 177.9752 97 G 3.7559 7.9768 106.0825 45.1562 0.0000 173.8620 98 F 4.6361 8.0545 118.6225 56.5974 41.0182 174.3940 99 E 4.3827 8.9565 122.8755 55.3867 30.6325 174.7970 100 A 5.2519 8.0566 127.1068 51.2424 22.6810 174.0670 101 Y 4.8517 9.0039 115.8792 56.7017 43.0347 173.5458 102 E 4.8946 8.8021 122.0823 54.2520 31.8077 174.8345 103 L 4.4388 8.8943 129.6909 55.2860 42.8096 176.5520 104 A 4.5773 8.4260 127.5044 52.1377 18.7227 176.5834 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 2 N 8.28 4.75 0.00 2.80 2.90 0.00 0.00 7.01 7.19 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 3 D 8.17 4.19 0.00 2.80 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 4 K 8.79 4.04 0.00 1.80 1.86 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.53 7.81 5 K 7.95 3.96 0.00 1.95 1.84 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.52 7.81 6 I 8.17 3.70 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 0.73 0.93 0.00 0.00 7 E 8.31 3.91 0.00 2.20 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 0.00 2.33 2.39 0.00 8 L 8.01 3.99 0.00 1.82 1.87 1.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.17 4.06 0.00 1.77 1.74 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 10 T 8.13 3.92 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 11 T 7.88 3.97 4.33 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 1.26 0.00 0.00 12 Y 8.66 4.19 0.00 3.22 3.16 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 13 L 8.64 4.31 0.00 1.88 1.79 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.75 4.44 0.00 4.09 4.22 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 15 L 8.12 4.18 0.00 1.62 1.39 0.66 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.46 5.36 0.00 2.80 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 17 I 8.45 4.49 1.46 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.14 0.87 0.00 0.00 18 D 8.61 4.64 0.00 2.77 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 H 9.21 4.24 0.00 3.39 3.68 0.00 5.51 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 H 8.05 3.81 0.00 3.23 3.27 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.72 3.84 4.17 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 0.00 0.00 0.00 1.18 0.00 0.00 22 V 7.10 3.14 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 0.73 0.00 0.00 0.58 0.00 0.00 23 L 7.97 4.05 0.00 1.72 1.61 0.88 0.81 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 24 A 7.84 4.41 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 25 D 7.87 4.69 0.00 3.10 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 *27 Q 8.12 4.30 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.61 0.00 28 N 8.87 4.27 0.00 2.85 2.82 0.00 0.00 7.03 6.65 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 29 A 7.72 3.73 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 30 T 7.74 3.98 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 1.28 0.00 0.00 31 G 7.30 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 32 K 8.22 4.26 0.00 1.49 1.86 0.00 1.08 0.00 0.00 1.29 0.00 0.00 2.35 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.27 0.23 7.81 33 Y 8.22 5.14 0.00 3.00 2.84 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 34 V 8.60 4.37 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.70 0.00 0.00 35 V 8.49 4.69 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 1.08 0.00 0.00 0.94 0.00 0.00 36 L 9.25 5.19 0.00 1.62 1.57 0.74 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.03 4.96 0.00 2.83 2.69 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 0.00 38 V 7.98 4.49 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 0.82 0.00 0.00 0.94 0.00 0.00 39 R 8.21 4.31 0.00 2.20 2.14 0.00 2.95 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.65 0.00 40 N 8.59 4.77 0.00 2.76 2.88 0.00 0.00 6.99 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 *49 Q 7.84 4.12 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.87 6.77 0.00 0.00 0.00 0.00 0.00 2.17 2.28 0.00 50 I 7.77 4.19 1.65 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.38 0.77 0.00 0.00 51 K 8.42 4.17 0.00 1.71 1.73 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.41 7.81 52 G 9.01 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 53 A 7.40 4.46 1.28 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 54 I 8.77 4.26 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.64 0.93 0.00 0.00 55 A 8.52 4.52 1.23 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 0.00 0.00 0.00 *57 P 0.00 4.10 0.00 2.38 2.15 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 58 A 8.28 4.05 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 59 K 8.01 4.09 0.00 1.89 1.95 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.66 1.47 7.81 60 D 7.75 4.68 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 61 L 7.73 3.90 0.00 1.87 1.78 0.75 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.64 4.60 1.28 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 63 T 7.99 4.62 4.36 0.00 0.00 0.00 0.00 0.00 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 64 R 8.17 4.60 0.00 1.81 1.96 0.00 3.13 0.00 0.00 3.16 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 65 I 7.72 3.65 1.94 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 1.18 0.84 0.95 0.00 0.00 66 G 7.98 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 67 E 8.62 4.57 0.00 1.99 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 2.23 2.29 0.00 68 L 7.22 4.65 0.00 1.09 0.96 -0.29 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 69 D 9.23 4.74 0.00 2.75 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 70 P 0.00 4.60 0.00 2.13 2.08 0.00 3.85 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.32 0.00 71 A 8.67 4.28 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 72 K 8.01 4.65 0.00 1.22 1.26 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.44 7.81 73 T 8.57 4.64 4.09 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 1.62 0.00 0.00 74 Y 8.72 4.90 0.00 2.94 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 75 V 9.10 4.90 2.16 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 0.92 0.00 0.00 1.02 0.00 0.00 76 V 8.83 4.52 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 0.64 0.00 0.00 0.97 0.00 0.00 77 Y 9.14 4.94 0.00 2.97 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.34 4.66 0.00 2.61 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 W 8.26 3.93 0.00 3.15 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 80 T 7.06 2.83 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 0.31 0.00 0.00 81 G 7.99 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 82 G 7.53 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 83 T 8.39 4.82 4.41 0.00 0.00 0.00 0.00 0.00 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 84 T 7.84 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 1.22 0.00 0.00 85 L 8.15 3.98 0.00 1.73 1.94 0.95 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 86 G 7.88 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 87 K 7.95 3.94 0.00 1.93 1.83 0.00 1.94 0.00 0.00 1.82 0.00 0.00 3.16 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.45 7.81 88 T 8.19 3.81 4.37 0.00 0.00 0.00 0.00 0.00 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 89 A 7.82 3.96 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 90 L 8.26 3.83 0.00 1.83 1.69 0.77 0.24 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 91 L 8.10 3.91 0.00 1.84 1.81 0.91 1.18 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 92 V 7.54 3.57 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 0.96 0.00 0.00 0.98 0.00 0.00 93 L 7.92 4.06 0.00 1.87 1.73 0.85 -0.01 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 94 L 8.25 4.31 0.00 1.63 1.68 0.83 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.03 4.21 0.00 3.88 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 96 A 7.55 4.44 1.52 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 0.00 0.00 97 G 7.98 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 98 F 8.05 4.64 0.00 3.17 2.99 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 99 E 8.96 4.38 0.00 2.10 1.91 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 2.44 2.25 0.00 100 A 8.06 5.25 1.23 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 0.00 0.00 0.00 101 Y 9.00 4.85 0.00 2.89 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.80 4.89 0.00 1.72 1.12 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 2.20 2.39 0.00 103 L 8.89 4.44 0.00 1.79 1.79 0.96 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 104 A 8.43 4.58 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.