NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 A 4.1104 8.3645 123.5516 52.2466 19.4004 176.6334 22 R 3.8283 7.6394 121.9516 55.2968 30.9617 177.5562 23 S 3.4871 7.6793 113.0486 59.7188 63.1803 171.5116 24 E 4.5927 7.4626 117.7072 56.2843 31.5799 179.0789 25 L 4.0008 8.7023 118.7426 56.7695 42.4147 175.2039 26 F 4.8271 8.1290 112.8918 58.4157 38.1406 176.7251 27 D 4.8000 8.1522 121.1103 56.7785 41.1001 178.7810 28 R 3.9756 7.6761 118.0512 59.4852 30.1724 178.7701 29 T 3.9494 7.8399 112.1624 64.4635 67.3897 176.2031 30 F 3.8513 7.7097 122.5566 61.3242 39.5400 177.0837 31 E 3.9704 8.6673 118.5938 59.2096 29.3002 179.0278 32 E 4.0288 8.2811 119.8501 58.9770 29.7469 179.1229 33 G 3.4593 7.8802 105.8693 48.0973 0.0000 175.7595 34 M 3.9616 7.7039 121.3017 57.7402 31.8119 178.7243 35 Q 3.9190 7.8497 119.5587 58.9400 29.2448 177.8573 36 L 3.9351 7.7645 121.1069 58.0195 42.2017 179.0432 37 V 3.5669 7.6808 118.1958 65.9303 31.4752 177.7050 38 E 3.9557 7.8875 118.9617 59.3164 29.5104 178.6586 39 E 4.0691 8.6369 119.1095 59.4784 29.3990 179.4932 40 T 3.9401 8.1453 115.8708 66.6032 67.7422 176.7398 41 A 4.0439 8.0698 122.2545 54.8929 17.9533 179.5128 42 A 4.2807 8.0821 119.4333 54.9490 18.4454 179.2395 43 Y 4.1099 7.9637 118.2492 60.7998 38.9309 177.7113 44 L 4.1732 8.3395 118.5009 56.7941 41.8534 177.4313 45 D 4.8883 7.5337 116.3942 53.5321 43.8688 176.4074 46 G 3.7066 8.0262 104.5594 46.0529 0.0000 175.4185 47 A 4.1652 9.2252 130.5014 54.5120 19.0765 180.0671 48 G 2.9563 7.7468 106.4580 46.9454 0.0000 176.2434 49 R 3.7997 7.4666 119.6607 59.5382 29.9526 178.8785 50 H 4.1706 8.0435 115.3597 58.6879 28.5212 177.3852 51 D 4.3336 7.5207 119.9327 56.8264 40.6841 178.3018 52 S 3.7819 7.2760 113.1655 60.8952 62.4587 176.0227 53 K 4.0621 8.0986 120.6334 58.0808 33.1681 178.2750 54 V 4.1094 6.9716 120.4858 60.1930 29.8944 174.2572 55 L 4.5002 6.9944 121.5253 52.2892 45.5715 175.1839 56 S 4.3843 8.5538 121.1771 58.8753 64.9087 176.0529 57 R 4.0427 8.6205 125.3077 61.9063 29.1822 178.9668 58 N 4.5457 8.1039 116.3878 56.4859 39.0607 176.7946 59 A 4.1180 7.7605 121.0897 54.7228 18.5175 179.4547 60 A 3.9855 8.6072 120.0460 55.0693 18.5091 179.5329 61 L 4.1553 7.8325 119.3366 57.9605 42.0052 179.2950 62 G 3.6803 8.0285 105.6042 47.4783 0.0000 175.2914 63 Y 4.0445 8.3100 121.8705 60.5557 38.7777 177.8434 64 A 4.0764 8.2079 123.1545 54.9459 18.1022 179.5577 65 T 3.8755 7.9677 111.2090 64.7115 67.4025 175.9832 66 E 4.1819 7.9033 120.2914 58.0853 29.5438 178.6362 67 S 4.0172 7.7924 114.6293 61.5275 62.9942 176.4791 68 M 4.1313 7.8302 122.0122 57.9380 31.5050 178.6433 69 R 3.8763 7.5776 118.6146 58.9559 30.2041 178.4422 70 L 3.8835 7.8144 120.3245 58.4769 42.3300 178.8977 71 T 3.9533 8.0703 113.2864 64.9698 67.1846 176.2491 72 T 4.0601 7.8012 111.3435 64.1978 68.8648 176.8918 73 R 4.0148 7.7235 121.9454 59.1593 30.0254 178.3518 74 L 4.1034 7.9882 119.1826 57.5979 41.6946 179.1244 75 M 4.1785 8.0453 116.5894 57.9798 31.0978 178.5357 76 Q 4.0199 7.6948 119.7790 59.0287 29.2013 178.2184 77 V 3.6847 7.6528 119.1117 65.7638 31.7434 177.6872 78 A 3.9942 8.6937 121.1931 55.3718 17.9681 179.7971 79 S 4.1506 8.1017 111.5424 61.1958 63.3176 176.3115 80 W 4.1647 8.1131 131.6817 60.2160 30.5424 177.6303 81 L 4.3133 9.0018 119.4490 58.3359 41.2374 179.6299 82 L 4.3381 8.2160 117.4484 56.6288 41.5480 178.8399 83 V 4.0424 7.8257 118.3344 64.2945 32.2697 177.7446 84 Q 3.6111 7.2290 117.6839 58.8586 28.5876 179.7169 85 R 3.7480 7.9606 119.3825 59.3184 30.1714 178.4022 86 A 3.9464 8.2778 121.1004 55.0617 18.3562 179.6478 87 V 4.3345 7.7573 118.1607 65.7277 31.3012 178.3053 88 R 3.8056 7.7818 117.6018 58.9898 30.0066 177.4162 89 E 4.3424 8.0401 115.5040 55.6652 29.6744 176.7788 90 G 3.8700 7.5063 106.5699 46.5870 0.0000 175.0552 91 E 4.2166 8.6897 121.8560 57.5606 30.2691 177.1377 92 M 4.8037 7.4416 117.2527 52.2292 35.1492 173.3120 93 P 4.7074 0.0000 0.0000 61.8121 32.4330 174.8441 94 P 4.3577 0.0000 0.0000 65.9993 31.3065 177.8803 95 E 4.0736 8.1684 115.8010 57.7367 28.9155 177.6486 96 A 4.0536 7.8777 123.3711 54.0473 18.9867 179.3341 97 A 3.5851 7.1741 119.2137 53.1635 19.2638 176.4965 98 C 4.6079 11.0600 116.7931 60.1199 29.7248 174.0348 99 A 3.6337 9.4688 126.2473 53.1243 16.5745 177.6008 100 E 4.1763 8.2262 117.4138 59.0036 30.0774 176.9427 101 A 4.6384 7.7116 125.0933 51.0577 19.9772 173.6284 102 Y 5.1402 9.4650 119.1995 56.1707 41.4022 178.3689 103 R 5.0182 8.2100 122.4648 55.8713 31.6630 177.4126 *115 V 4.2362 7.6776 112.7580 62.0093 33.7612 175.1122 116 E 4.0715 8.2089 117.9411 58.9634 29.7545 175.6294 117 E 3.9934 8.2483 117.8238 56.8408 29.4157 176.1500 118 L 4.9460 8.1193 122.7448 51.2561 45.8205 175.6735 119 P 4.5033 0.0000 0.0000 62.9126 33.1127 177.5141 120 F 4.3543 9.0022 122.1907 61.5937 38.9222 177.9158 121 G 3.1890 8.2153 104.9427 47.3067 0.0000 175.4188 122 L 3.7546 7.7538 122.1380 58.1690 42.3456 178.6779 123 M 3.9851 7.8225 118.3731 58.4248 31.8287 178.5909 124 N 4.1251 7.4594 116.5446 56.1761 38.6480 177.5597 125 L 3.9131 7.3076 119.6729 57.4990 41.6436 179.5540 126 L 3.9862 7.7908 120.3863 57.4527 41.4630 179.6096 127 Q 4.0038 7.9423 117.7029 58.7086 28.6930 178.8365 128 R 3.9383 8.0790 119.6590 58.9445 29.8393 179.0836 129 S 4.1844 8.1591 114.3620 61.3361 62.9680 176.4468 130 E 4.0623 8.3359 122.2586 59.1640 29.2714 179.4045 131 R 4.0010 7.7948 118.4136 58.8152 30.1530 178.7200 132 L 3.9778 7.8235 120.2522 58.0342 42.0110 178.3833 133 Y 3.8688 8.2656 119.7968 60.7429 38.9219 177.7633 134 E 4.0683 8.1285 119.3908 58.8431 29.4922 179.3241 135 R 3.8565 7.6881 118.9215 59.3309 30.0870 178.6600 136 V 3.2235 7.6936 118.1196 65.5267 31.5169 177.9967 137 R 3.3156 7.8445 118.9960 59.4868 29.8075 178.0442 138 H 4.1758 8.0139 117.8102 58.9597 29.4890 177.0981 139 L 3.8553 7.4940 121.9856 58.0049 41.5482 178.3904 140 D 4.6613 8.5093 119.0410 57.4975 41.0974 178.5033 141 R 4.0660 7.9345 118.4975 59.2349 29.9087 179.0865 142 R 4.0059 7.7007 116.2082 58.5773 30.1223 178.0299 143 M 4.1357 7.5435 116.8123 56.2893 32.5225 176.3463 144 Y 4.9540 7.7840 112.4459 57.0172 40.5879 175.9477 145 V 4.4356 8.3272 118.8180 61.4541 32.7926 176.1375 146 E 4.5152 8.9075 116.3061 54.6918 31.2958 180.4158 147 S 5.3252 8.1286 120.0811 59.0199 59.5354 175.1600 148 P 4.8684 0.0000 0.0000 62.9175 31.5043 174.8378 149 N 5.1062 8.0230 114.4903 51.1149 41.0337 176.9031 150 E 4.3047 8.6059 121.3076 55.8246 30.0859 175.2821 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 21 A 8.36 4.11 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 0.00 0.00 0.00 0.00 0.00 22 R 7.64 3.83 0.00 1.83 1.93 0.00 3.33 0.00 0.00 3.36 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.25 0.00 23 S 7.68 3.49 0.00 3.47 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 24 E 7.46 4.59 0.00 1.89 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 2.16 2.09 0.00 25 L 8.70 4.00 0.00 1.92 1.85 0.96 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 26 F 8.13 4.83 0.00 3.47 3.12 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 27 D 8.15 4.80 0.00 2.89 2.86 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 28 R 7.68 3.98 0.00 2.06 1.99 0.00 3.14 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 29 T 7.84 3.95 4.23 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 1.23 0.00 0.00 30 F 7.71 3.85 0.00 2.65 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 0.00 31 E 8.67 3.97 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.54 0.00 32 E 8.28 4.03 0.00 2.10 2.08 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 2.25 2.28 0.00 33 G 7.88 3.46 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 0.00 34 M 7.70 3.96 0.00 1.85 1.84 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 35 Q 7.85 3.92 0.00 2.19 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.34 0.00 36 L 7.76 3.94 0.00 1.95 1.59 0.88 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.68 3.57 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 0.92 0.00 0.00 38 E 7.89 3.96 0.00 2.15 2.08 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 2.31 2.35 0.00 39 E 8.64 4.07 0.00 2.00 1.97 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 2.33 2.53 0.00 40 T 8.15 3.94 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 1.23 0.00 0.00 41 A 8.07 4.04 1.41 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 0.00 0.00 0.00 42 A 8.08 4.28 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.96 4.11 0.00 3.18 3.17 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 0.00 44 L 8.34 4.17 0.00 1.69 1.76 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 45 D 7.53 4.89 0.00 2.83 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 46 G 8.03 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 0.00 0.00 0.00 47 A 9.23 4.17 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 48 G 7.75 2.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 R 7.47 3.80 0.00 1.92 1.85 0.00 3.08 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 50 H 8.04 4.17 0.00 3.32 3.33 0.00 5.81 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 51 D 7.52 4.33 0.00 2.67 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 52 S 7.28 3.78 0.00 2.72 3.65 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 0.00 0.00 0.00 0.00 53 K 8.10 4.06 0.00 1.69 1.78 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.40 1.45 7.81 54 V 6.97 4.11 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 0.73 0.00 0.00 0.97 0.00 0.00 55 L 6.99 4.50 0.00 1.67 1.58 0.93 1.10 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 56 S 8.55 4.38 0.00 4.09 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 57 R 8.62 4.04 0.00 1.84 2.00 0.00 3.24 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.27 0.00 58 N 8.10 4.55 0.00 2.79 2.84 0.00 0.00 7.12 8.76 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 59 A 7.76 4.12 1.39 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 0.00 0.00 0.00 60 A 8.61 3.99 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 61 L 7.83 4.16 0.00 1.89 1.93 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.03 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.31 4.04 0.00 3.11 3.19 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 64 A 8.21 4.08 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.97 3.88 4.31 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 1.30 0.00 0.00 66 E 7.90 4.18 0.00 1.98 1.89 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 2.35 2.42 0.00 67 S 7.79 4.02 0.00 3.85 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 68 M 7.83 4.13 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.52 0.00 69 R 7.58 3.88 0.00 1.96 2.01 0.00 3.00 0.00 0.00 2.99 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 70 L 7.81 3.88 0.00 1.82 1.72 0.85 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.07 3.95 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 1.25 0.00 0.00 72 T 7.80 4.06 4.23 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 1.26 0.00 0.00 73 R 7.72 4.01 0.00 1.83 2.09 0.00 2.70 0.00 0.00 2.55 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 74 L 7.99 4.10 0.00 1.89 1.69 0.90 0.82 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 75 M 8.05 4.18 0.00 2.34 2.35 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.60 0.00 76 Q 7.69 4.02 0.00 2.59 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.87 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 77 V 7.65 3.68 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 0.95 0.00 0.00 1.08 0.00 0.00 78 A 8.69 3.99 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 79 S 8.10 4.15 0.00 4.11 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 80 W 8.11 4.16 0.00 3.52 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 81 L 9.00 4.31 0.00 2.01 2.13 0.83 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.22 4.34 0.00 1.79 1.78 0.99 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.83 4.04 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 1.00 0.00 0.00 84 Q 7.23 3.61 0.00 2.18 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.69 0.00 0.00 0.00 0.00 0.00 1.43 1.16 0.00 85 R 7.96 3.75 0.00 2.10 2.03 0.00 2.49 0.00 0.00 2.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.43 0.00 86 A 8.28 3.95 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 87 V 7.76 4.33 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 0.94 0.00 0.00 88 R 7.78 3.81 0.00 1.65 1.91 0.00 3.09 0.00 0.00 2.91 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 89 E 8.04 4.34 0.00 1.93 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 2.25 2.36 0.00 90 G 7.51 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 91 E 8.69 4.22 0.00 1.97 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 2.29 2.24 0.00 92 M 7.44 4.80 0.00 1.99 1.86 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.45 0.00 93 P 0.00 4.71 0.00 2.17 2.04 0.00 3.75 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 1.97 1.94 0.00 94 P 0.00 4.36 0.00 2.25 2.34 0.00 3.69 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 95 E 8.17 4.07 0.00 1.96 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 2.32 2.39 0.00 96 A 7.88 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 97 A 7.17 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 C 11.06 4.61 0.00 3.02 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 99 A 9.47 3.63 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 0.00 100 E 8.23 4.18 0.00 1.99 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 2.20 2.26 0.00 101 A 7.71 4.64 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 9.47 5.14 0.00 2.85 2.83 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 0.00 0.00 0.00 103 R 8.21 5.02 0.00 1.93 1.86 0.00 3.30 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.92 0.00 *115 V 7.68 4.24 2.08 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 0.87 0.00 0.00 0.93 0.00 0.00 116 E 8.21 4.07 0.00 1.91 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 2.30 2.40 0.00 117 E 8.25 3.99 0.00 2.00 1.97 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 2.34 2.44 0.00 118 L 8.12 4.95 0.00 1.61 1.59 0.93 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 119 P 0.00 4.50 0.00 2.44 2.17 0.00 3.83 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.24 0.00 120 F 9.00 4.35 0.00 3.10 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 0.00 121 G 8.22 3.19 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 0.00 0.00 0.00 122 L 7.75 3.75 0.00 1.97 1.72 0.77 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 123 M 7.82 3.99 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.85 0.00 124 N 7.46 4.13 0.00 2.47 2.58 0.00 0.00 6.99 6.57 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 0.00 125 L 7.31 3.91 0.00 1.67 1.59 0.66 0.49 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 0.00 126 L 7.79 3.99 0.00 1.77 1.64 0.86 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 7.94 4.00 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 128 R 8.08 3.94 0.00 1.98 1.91 0.00 3.06 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 129 S 8.16 4.18 0.00 4.02 4.14 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 0.00 0.00 0.00 0.00 130 E 8.34 4.06 0.00 2.15 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 2.25 2.39 0.00 131 R 7.79 4.00 0.00 1.79 1.95 0.00 3.10 0.00 0.00 3.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 132 L 7.82 3.98 0.00 1.98 1.80 0.89 0.71 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 0.00 133 Y 8.27 3.87 0.00 3.20 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 0.00 134 E 8.13 4.07 0.00 2.01 1.98 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 2.40 2.55 0.00 135 R 7.69 3.86 0.00 2.17 1.95 0.00 3.12 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 136 V 7.69 3.22 1.62 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 -0.29 0.00 0.00 0.74 0.00 0.00 137 R 7.84 3.32 0.00 1.42 1.72 0.00 3.07 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 138 H 8.01 4.18 0.00 3.28 3.40 0.00 5.83 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 L 7.49 3.86 0.00 1.87 1.57 1.15 1.67 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 0.00 140 D 8.51 4.66 0.00 2.28 2.57 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 0.00 0.00 0.00 0.00 141 R 7.93 4.07 0.00 1.93 1.98 0.00 3.19 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.84 0.00 142 R 7.70 4.01 0.00 1.94 1.94 0.00 3.26 0.00 0.00 3.22 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.54 0.00 143 M 7.54 4.14 0.00 1.18 2.06 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.40 0.00 144 Y 7.78 4.95 0.00 3.02 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 0.00 145 V 8.33 4.44 2.28 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 0.81 0.00 0.00 1.02 0.00 0.00 146 E 8.91 4.52 0.00 2.00 1.76 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 2.18 1.85 0.00 147 S 8.13 5.33 0.00 3.93 4.07 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 0.00 148 P 0.00 4.87 0.00 2.21 2.11 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.95 0.00 149 N 8.02 5.11 0.00 2.71 2.57 0.00 0.00 6.56 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 0.00 150 E 8.61 4.30 0.00 1.87 1.78 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 2.18 2.21 0.00 * Residues marked with a * may have inaccurate shift predictions.