NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4274 8.3231 115.5482 57.9404 64.5196 172.9380 3 G 4.0054 8.5800 108.2809 45.1839 0.0000 171.6261 4 K 4.8174 9.1191 120.2337 54.2012 35.9477 173.3981 5 L 4.6805 9.0555 126.0444 53.6600 44.1626 174.9990 6 T 4.9167 8.1065 123.1288 61.6350 71.3385 173.1891 7 V 4.7339 8.5864 126.4098 61.0795 34.5223 174.0768 8 I 4.9885 9.0958 128.9824 60.0254 39.3362 174.6912 9 T 5.3851 9.0242 121.0355 59.4306 71.5069 173.2025 10 G 4.0366 8.1382 110.6206 43.5074 0.0000 169.9197 11 P 4.6379 0.0000 0.0000 61.6389 32.8430 175.5859 12 M 3.8392 8.2339 117.3643 56.8642 32.1188 176.7791 13 Y 4.0583 7.8898 116.4123 59.0547 35.3971 171.0378 14 S 4.8277 7.1308 112.1827 57.3681 63.7203 174.7464 15 G 3.9358 8.1902 109.3587 46.7751 0.0000 176.0172 16 K 3.9825 8.2049 120.4599 59.6253 32.0624 179.1809 17 T 3.9122 7.8468 115.4251 66.8537 68.4022 176.4839 18 T 3.8362 7.9669 117.1988 66.8677 68.5942 175.9901 19 E 3.8589 8.4005 121.0345 58.9545 29.6340 178.5180 20 L 4.2453 8.1365 120.4795 58.3849 42.1606 179.0359 21 L 3.9047 8.1399 118.9272 57.7613 41.5137 179.6409 22 S 3.9826 7.8908 115.2500 61.6247 62.8086 176.8085 23 F 4.2788 7.9052 120.2323 60.2939 38.5011 177.8121 24 V 2.3478 7.3705 117.9702 65.6559 31.1331 177.7053 25 E 3.8294 8.1734 119.0054 59.1815 29.3755 178.6284 26 I 3.7086 7.6888 119.7588 64.8238 37.2533 178.0123 27 Y 3.9188 8.2090 117.0504 60.9956 37.6684 178.7415 28 K 4.0325 8.3730 119.6059 59.4955 31.9349 179.3745 29 L 4.1528 8.2058 118.7985 57.5127 41.5922 178.9507 30 G 3.7816 7.6468 102.3967 43.8276 0.0000 173.3697 31 K 3.9300 8.1285 119.1989 57.4019 30.2526 175.1484 32 K 4.6817 7.9087 116.9928 54.3027 34.0907 177.2368 33 K 4.2492 8.7922 126.3177 56.7648 33.3403 175.8597 34 V 5.3205 8.4836 118.5799 59.6117 35.8983 174.6483 35 A 4.6323 9.0130 122.9701 50.2708 22.4101 175.2189 36 V 4.7960 7.8704 121.7191 61.0290 34.6777 174.2914 37 F 5.6825 9.4701 125.9850 55.7751 43.3420 173.9859 38 K 5.2969 9.2071 119.7752 54.7743 36.1883 173.8109 39 P 4.7599 0.0000 0.0000 62.2483 32.2299 175.8909 40 K 3.9563 8.3218 122.9487 56.8011 33.1796 176.5705 *46 H 4.3423 8.5492 123.3034 55.8368 29.3134 170.9181 47 S 4.5398 7.9206 118.2840 56.0793 63.5041 174.1087 48 T 4.0580 8.2457 117.8720 62.8629 69.8568 173.9136 49 M 4.4830 7.4532 123.2375 55.1509 33.0504 175.7758 50 I 4.4561 8.5962 125.4015 59.6911 38.8205 175.4124 51 V 4.7567 8.2935 126.2305 59.8031 34.2507 175.3867 52 S 4.4416 8.5872 114.8637 58.3717 64.9160 174.2539 *57 G 3.7328 7.7934 107.9681 45.3440 0.0000 171.7959 58 V 4.6534 8.2631 112.8350 58.6826 36.1950 175.0013 59 E 4.3734 8.7002 120.6084 56.4424 30.1247 175.9478 60 A 4.7042 8.5886 124.4381 50.1148 22.6002 175.2567 61 H 4.2430 8.5195 118.3660 55.5040 29.8898 174.6873 62 V 4.8233 8.3801 124.2969 61.6434 32.5198 174.9389 63 I 4.8662 8.9136 120.6894 59.6700 40.9349 176.2377 64 E 4.1827 9.3824 122.9495 58.4254 30.2627 177.3266 65 R 4.9121 8.5906 117.0990 53.2367 33.4742 175.0169 66 P 3.8378 0.0000 0.0000 65.6675 30.9001 178.8084 67 E 3.9609 8.1975 116.7898 59.2818 29.4530 178.6963 68 E 3.9149 8.1432 117.8651 58.5825 29.5652 178.8258 69 M 3.8836 7.8885 119.5270 58.1172 31.8530 178.3975 70 R 3.9076 7.4258 118.0119 59.5622 30.0355 178.8979 71 K 3.7689 7.3115 115.8764 59.1040 32.0387 177.8834 72 Y 4.7073 7.8211 113.6247 56.7224 38.3689 175.2049 73 I 4.4408 7.2622 121.6957 59.7194 38.7337 175.3884 74 E 4.5863 8.6449 125.3396 54.3669 31.3747 176.8657 75 E 4.0154 8.7180 120.4599 58.6394 29.7501 176.9039 76 D 4.9270 7.8687 116.1007 52.9906 39.7559 176.1046 77 T 4.0614 7.6846 117.0921 64.6775 69.0593 174.1603 78 R 4.6222 9.4563 125.3837 56.7232 33.0440 176.5012 79 G 4.1836 8.1474 104.6521 44.1494 0.0000 171.7016 80 V 5.1611 8.4737 123.2844 60.8157 34.7622 174.2682 81 F 5.2451 9.3937 125.4802 55.8079 42.7504 173.8987 82 I 5.2230 9.0932 124.1772 59.7908 40.3895 174.4836 83 D 5.1328 9.1051 126.9817 52.4741 43.5855 175.1242 84 E 3.7108 8.5510 117.8276 57.3206 27.2036 177.4458 85 V 4.0160 7.8172 113.0193 64.1087 32.0941 179.2151 86 Q 3.8512 7.5488 116.9187 58.5564 28.2151 177.1862 87 F 4.8009 7.3881 115.4079 58.1631 39.4105 175.9008 88 F 4.7028 7.7235 119.8611 56.2400 39.8369 175.0845 89 N 4.4925 8.8828 121.4012 53.4827 39.3996 174.1670 90 P 4.4325 0.0000 0.0000 64.6535 31.5354 178.6083 91 S 4.2739 8.8372 114.1382 60.8411 62.5862 176.0036 92 L 3.8489 8.1852 124.6986 57.9981 41.6547 178.4771 93 F 4.0761 8.2943 120.6920 61.5883 39.3441 177.0933 94 E 3.9291 8.3055 117.5094 59.0362 29.3757 179.3185 95 V 3.4862 7.6363 118.2247 65.9163 31.5951 178.3189 96 V 3.4172 7.9923 118.4392 65.6586 31.2802 177.7439 97 K 3.6258 7.7568 119.4198 59.5427 32.0626 178.1444 98 D 4.2318 8.0597 118.1294 57.2437 41.1174 178.2054 99 L 3.9308 7.7365 119.3580 57.8008 41.5775 179.4541 100 L 4.0505 7.8622 118.8067 58.0241 41.3286 179.3424 101 D 4.3297 8.0012 117.6795 57.1132 40.8010 178.2075 102 R 4.2933 7.5338 115.6565 56.2410 30.3829 177.3276 103 G 3.9302 8.0482 107.3064 44.8816 0.0000 173.1080 104 I 4.3121 7.5251 121.6175 60.0109 38.7595 175.1839 105 D 4.7342 8.6986 127.0644 54.2023 42.1785 175.5356 106 V 4.6112 8.2380 121.9303 60.9367 35.0173 174.0980 107 F 4.9762 8.8437 125.7210 55.7914 42.1940 173.7624 108 C 5.4307 9.1835 121.1902 57.8036 31.5518 172.8746 109 A 5.2213 8.6818 124.8150 50.1490 21.9800 175.3562 110 G 4.0267 8.3145 107.1279 45.4359 0.0000 172.6009 111 L 4.7252 8.7331 121.0831 54.0909 41.8006 177.7745 112 D 4.5982 8.9006 122.5966 55.3196 40.1966 176.3540 113 L 5.1383 7.5788 117.1617 52.3700 45.4307 176.1411 114 T 4.2242 8.2057 112.8229 61.0587 69.5408 175.1265 115 H 5.0314 8.6894 115.8428 57.3342 28.5527 176.1207 116 K 4.4442 7.7078 118.6925 55.7470 31.9643 176.1267 117 Q 3.4806 8.0590 116.9480 57.0336 26.7340 173.2358 118 N 4.7787 7.5974 113.7804 51.0937 40.3126 173.1687 119 P 4.6853 0.0000 0.0000 62.2129 32.3167 176.3662 120 F 4.3473 8.6926 121.9453 56.9917 39.3633 175.9256 121 E 3.9511 9.2463 126.9968 59.8954 29.4349 178.9376 122 T 3.9536 7.9854 115.0582 66.9629 68.5179 176.7311 123 T 3.8942 7.9965 117.0161 66.4295 68.5247 176.3044 124 A 4.0023 8.2357 122.7603 55.2903 18.2837 179.6779 125 L 3.8900 8.0928 117.4121 58.0153 41.7284 179.8574 126 L 4.1799 8.1297 118.9643 57.6344 41.3132 179.4020 127 L 4.0390 8.0636 118.8419 57.8481 41.6187 179.4268 128 S 4.2834 7.8753 113.3511 61.2123 63.0265 175.8807 129 L 4.1291 7.7559 122.4353 55.9098 42.3030 176.9907 130 A 4.0424 7.1162 121.5198 52.6125 18.8778 177.1461 131 D 4.5868 8.5337 121.9095 56.9287 41.8422 177.4217 132 T 4.7039 7.6664 113.5797 61.6032 73.0208 173.2041 133 V 4.7693 8.4966 124.7717 61.1885 34.2468 174.7464 134 I 4.4129 8.9415 129.3907 59.4443 38.8106 174.6549 135 K 4.6176 8.5738 127.2386 56.0137 32.5112 176.9572 136 K 4.6020 9.3599 125.7344 55.0809 33.6387 176.2526 137 K 4.7297 8.4523 121.4851 54.6919 35.7778 174.5804 138 A 4.9193 8.4820 122.8509 49.8144 22.9174 175.4798 139 V 4.3995 8.4505 119.1940 62.7883 32.6088 175.2667 140 C 4.4750 9.2032 129.4727 59.5376 31.7857 174.0134 141 H 4.1299 9.2969 127.1153 58.8076 29.9334 176.2604 142 R 4.2352 8.1738 118.5847 58.2720 30.4479 176.5605 143 C 4.4171 8.0424 110.3210 57.3180 30.6523 175.1247 144 G 3.8725 8.2538 108.3106 45.7639 0.0000 173.7924 145 E 4.3197 7.5019 119.2109 56.0859 30.6675 175.9949 146 Y 4.6352 8.2673 123.5512 56.2777 37.1648 175.2846 147 N 4.7659 7.6611 112.5867 52.6191 39.6487 174.8233 148 A 4.4029 8.3312 124.0302 52.5794 18.8288 178.4050 149 T 4.6572 8.5178 111.5785 61.1910 70.3920 173.6672 150 L 4.9619 8.1725 121.7792 53.3764 46.5380 175.2154 151 T 5.1553 8.5048 116.7198 61.8571 71.4484 172.9856 152 L 5.1378 9.3969 128.0150 53.1408 45.0732 174.7689 153 K 4.7550 8.7653 127.1122 55.7504 32.7054 176.2926 154 V 4.4207 8.9031 119.5609 61.3526 33.4606 175.3396 155 A 4.3902 7.7715 121.2515 51.7832 22.1010 176.9737 156 G 3.6427 8.5868 106.7101 44.5969 0.0000 172.6208 157 G 4.0361 8.3317 108.1366 43.4862 0.0000 173.2529 158 E 4.3361 8.5321 115.7012 56.3258 29.9588 176.7481 159 E 4.1348 7.9809 118.8445 57.0331 29.9795 177.5417 160 E 4.2803 8.7803 119.6804 57.4935 30.1822 176.3756 161 I 4.4676 7.5120 119.5207 60.0804 37.8372 175.2465 162 D 4.3845 8.3928 123.4656 53.2841 41.7797 174.7108 163 V 3.7882 8.5164 126.4106 61.9770 32.1279 175.7137 164 G 4.2237 7.7770 114.5225 46.1165 0.0000 172.7395 165 G 4.3292 8.6579 110.9016 45.0721 0.0000 176.6974 166 Q 4.5292 9.3986 122.7347 57.6348 28.6984 177.1537 167 E 4.1888 8.2498 114.8894 58.1245 30.0611 177.4543 168 K 4.4207 8.5069 117.1032 55.9249 35.2797 175.7045 169 Y 5.5840 8.1685 115.8223 56.0562 41.7022 174.9022 170 I 4.8966 9.0803 115.3829 59.1170 41.6611 173.8385 171 A 5.2359 8.6237 124.6761 51.1568 20.9417 176.6535 172 V 4.9479 8.8501 114.6266 59.4472 36.7378 175.3288 173 C 4.8470 8.6079 117.6194 57.5202 31.0083 174.7601 174 R 3.8603 8.5458 119.2134 59.6956 29.5062 178.0547 175 D 4.4196 8.0650 118.2195 57.6484 40.8244 178.4176 176 C 4.1922 8.0999 116.8080 62.7522 28.1853 175.2594 177 Y 4.0078 8.4604 121.5504 60.9636 38.2057 178.1091 178 N 4.5349 8.3172 115.9703 56.5253 38.7005 177.3121 179 T 4.0389 7.9512 116.4164 66.8036 68.6827 176.4852 180 L 4.1288 8.0195 119.7693 57.3381 41.6993 177.9058 181 K 4.1933 7.9026 122.2041 56.5785 32.1808 176.6828 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 S 8.32 4.43 0.00 3.97 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 3 G 8.58 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 4 K 9.12 4.82 0.00 1.49 1.52 0.00 1.58 0.00 0.00 1.50 0.00 0.00 2.73 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.43 7.81 5 L 9.06 4.68 0.00 1.50 1.35 0.79 0.64 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 6 T 8.11 4.92 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 1.17 0.00 0.00 7 V 8.59 4.73 2.07 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 0.93 0.00 0.00 0.95 0.00 0.00 8 I 9.10 4.99 1.97 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.03 1.00 0.00 0.00 9 T 9.02 5.39 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 10 G 8.14 4.04 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 0.00 0.00 0.00 11 P 0.00 4.64 0.00 2.23 2.20 0.00 3.90 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 12 M 8.23 3.84 0.00 1.07 1.68 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.14 0.00 13 Y 7.89 4.06 0.00 3.31 3.13 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 14 S 7.13 4.83 0.00 3.78 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 15 G 8.19 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 16 K 8.20 3.98 0.00 1.79 1.88 0.00 1.73 0.00 0.00 1.90 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.54 1.52 7.81 17 T 7.85 3.91 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 1.24 0.00 0.00 18 T 7.97 3.84 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 1.19 0.00 0.00 19 E 8.40 3.86 0.00 2.06 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 0.00 2.55 2.18 0.00 20 L 8.14 4.25 0.00 2.03 1.89 1.27 0.55 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 21 L 8.14 3.90 0.00 1.83 1.62 0.89 0.69 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 22 S 7.89 3.98 0.00 3.73 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 23 F 7.91 4.28 0.00 3.10 2.41 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 24 V 7.37 2.35 1.88 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 0.67 0.00 0.00 0.08 0.00 0.00 25 E 8.17 3.83 0.00 1.98 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 2.26 2.30 0.00 26 I 7.69 3.71 2.25 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 1.53 1.19 0.96 0.00 0.00 27 Y 8.21 3.92 0.00 3.24 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 28 K 8.37 4.03 0.00 1.76 1.84 0.00 1.56 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.54 7.81 29 L 8.21 4.15 0.00 1.73 1.72 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.65 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 0.00 0.00 0.00 31 K 8.13 3.93 0.00 1.88 1.91 0.00 1.70 0.00 0.00 1.92 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.54 7.81 32 K 7.91 4.68 0.00 1.90 1.89 0.00 1.38 0.00 0.00 1.38 0.00 0.00 2.84 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.39 1.49 7.81 33 K 8.79 4.25 0.00 1.95 1.95 0.00 1.59 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.56 1.61 7.81 34 V 8.48 5.32 2.27 0.00 0.00 0.00 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 0.88 0.00 0.00 35 A 9.01 4.63 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 36 V 7.87 4.80 2.02 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 1.02 0.00 0.00 0.79 0.00 0.00 37 F 9.47 5.68 0.00 3.04 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 38 K 9.21 5.30 0.00 1.82 1.91 0.00 1.29 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.41 7.81 39 P 0.00 4.76 0.00 1.70 0.49 0.00 3.72 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.78 0.00 40 K 8.32 3.96 0.00 1.86 1.76 0.00 1.90 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.45 1.41 7.81 *46 H 8.55 4.34 0.00 3.19 3.29 0.00 5.72 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 7.92 4.54 0.00 3.84 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 48 T 8.25 4.06 4.32 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 1.10 0.00 0.00 49 M 7.45 4.48 0.00 1.91 2.02 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.48 0.00 50 I 8.60 4.46 1.82 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 1.28 0.75 0.89 0.00 0.00 51 V 8.29 4.76 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 0.78 0.00 0.00 0.92 0.00 0.00 52 S 8.59 4.44 0.00 3.95 3.96 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 *57 G 7.79 3.73 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 0.00 0.00 0.00 58 V 8.26 4.65 1.96 0.00 0.00 0.00 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0.00 75 E 8.72 4.02 0.00 1.92 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 2.30 2.37 0.00 76 D 7.87 4.93 0.00 2.84 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 77 T 7.68 4.06 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 78 R 9.46 4.62 0.00 1.97 2.17 0.00 3.30 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.80 0.00 79 G 8.15 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 0.00 0.00 0.00 0.00 80 V 8.47 5.16 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 1.23 0.00 0.00 1.03 0.00 0.00 81 F 9.39 5.25 0.00 2.96 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 82 I 9.09 5.22 1.95 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.90 1.08 0.00 0.00 83 D 9.11 5.13 0.00 2.77 2.60 0.00 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2.80 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 0.00 109 A 8.68 5.22 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.31 4.03 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 0.00 0.00 0.00 111 L 8.73 4.73 0.00 1.03 1.66 0.71 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 112 D 8.90 4.60 0.00 2.92 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 0.00 113 L 7.58 5.14 0.00 1.59 1.49 0.85 0.80 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 0.00 114 T 8.21 4.22 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 0.24 0.00 0.00 115 H 8.69 5.03 0.00 3.52 3.76 0.00 5.12 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 7.71 4.44 0.00 1.85 1.84 0.00 1.77 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.36 1.04 7.81 117 Q 8.06 3.48 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.57 6.72 0.00 0.00 0.00 0.00 0.00 1.99 1.93 0.00 118 N 7.60 4.78 0.00 2.73 2.57 0.00 0.00 7.02 8.03 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 0.00 119 P 0.00 4.69 0.00 2.00 1.95 0.00 3.59 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.05 0.00 120 F 8.69 4.35 0.00 3.20 2.90 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 0.00 121 E 9.25 3.95 0.00 2.06 2.02 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 2.40 2.41 0.00 122 T 7.99 3.95 4.32 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 1.37 0.00 0.00 123 T 8.00 3.89 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 1.22 0.00 0.00 124 A 8.24 4.00 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 0.00 125 L 8.09 3.89 0.00 1.89 1.57 0.83 0.29 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 0.00 126 L 8.13 4.18 0.00 1.75 1.72 0.98 0.67 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 0.00 127 L 8.06 4.04 0.00 1.82 1.75 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 128 S 7.88 4.28 0.00 4.09 4.02 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 0.00 129 L 7.76 4.13 0.00 1.71 1.87 0.66 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.12 4.04 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 0.00 131 D 8.53 4.59 0.00 2.62 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 0.00 132 T 7.67 4.70 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 1.23 0.00 0.00 133 V 8.50 4.77 2.09 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 0.83 0.00 0.00 0.93 0.00 0.00 134 I 8.94 4.41 1.98 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.70 1.01 0.00 0.00 135 K 8.57 4.62 0.00 1.64 1.74 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.41 7.81 136 K 9.36 4.60 0.00 1.61 1.96 0.00 1.74 0.00 0.00 1.89 0.00 0.00 3.13 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.45 1.60 7.81 137 K 8.45 4.73 0.00 0.79 1.10 0.00 1.31 0.00 0.00 1.66 0.00 0.00 2.60 0.00 0.00 2.19 0.00 0.00 0.00 0.00 1.24 1.20 7.81 138 A 8.48 4.92 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 0.00 139 V 8.45 4.40 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 0.83 0.00 0.00 1.08 0.00 0.00 140 C 9.20 4.48 0.00 3.22 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 0.00 141 H 9.30 4.13 0.00 3.23 3.33 0.00 5.79 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 R 8.17 4.24 0.00 1.86 1.97 0.00 3.29 0.00 0.00 3.31 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 143 C 8.04 4.42 0.00 3.15 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 0.00 144 G 8.25 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 0.00 145 E 7.50 4.32 0.00 2.38 1.93 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 2.36 2.42 0.00 146 Y 8.27 4.64 0.00 2.82 2.94 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 0.00 147 N 7.66 4.77 0.00 2.79 2.81 0.00 0.00 6.33 7.26 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 0.00 148 A 8.33 4.40 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 0.00 149 T 8.52 4.66 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 1.15 0.00 0.00 150 L 8.17 4.96 0.00 1.79 1.50 0.47 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 151 T 8.50 5.16 4.32 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 1.29 0.00 0.00 152 L 9.40 5.14 0.00 1.73 1.54 0.50 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 153 K 8.77 4.75 0.00 1.66 1.53 0.00 1.43 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.20 0.85 7.81 154 V 8.90 4.42 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 0.68 0.00 0.00 0.91 0.00 0.00 155 A 7.77 4.39 1.15 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 0.00 0.00 156 G 8.59 3.64 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 0.00 0.00 0.00 157 G 8.33 4.04 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 0.00 0.00 0.00 158 E 8.53 4.34 0.00 2.15 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 0.00 2.28 2.32 0.00 159 E 7.98 4.13 0.00 2.19 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 2.44 2.45 0.00 160 E 8.78 4.28 0.00 2.01 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 0.00 2.18 2.31 0.00 161 I 7.51 4.47 1.93 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.95 0.85 0.00 0.00 162 D 8.39 4.38 0.00 2.70 2.77 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 0.00 0.00 0.00 163 V 8.52 3.79 2.07 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 0.87 0.00 0.00 0.77 0.00 0.00 164 G 7.78 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 0.00 0.00 0.00 165 G 8.66 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 0.00 0.00 0.00 0.00 166 Q 9.40 4.53 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 7.03 0.00 0.00 0.00 0.00 0.00 2.24 2.44 0.00 167 E 8.25 4.19 0.00 2.07 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 0.00 2.27 2.28 0.00 168 K 8.51 4.42 0.00 1.23 1.01 0.00 1.56 0.00 0.00 1.55 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.16 1.28 7.81 169 Y 8.17 5.58 0.00 2.98 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 0.00 170 I 9.08 4.90 1.78 0.00 0.00 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 1.32 0.95 0.66 0.00 0.00 171 A 8.62 5.24 1.54 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 0.00 0.00 172 V 8.85 4.95 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 0.98 0.00 0.00 1.17 0.00 0.00 173 C 8.61 4.85 0.00 3.15 3.37 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 0.00 174 R 8.55 3.86 0.00 1.86 1.96 0.00 3.15 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 175 D 8.07 4.42 0.00 2.76 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 0.00 176 C 8.10 4.19 0.00 3.04 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 0.00 177 Y 8.46 4.01 0.00 3.22 3.13 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 0.00 178 N 8.32 4.53 0.00 2.96 2.94 0.00 0.00 7.14 6.91 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 0.00 179 T 7.95 4.04 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 1.22 0.00 0.00 180 L 8.02 4.13 0.00 1.54 1.65 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 181 K 7.90 4.19 0.00 1.68 1.67 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.37 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.05 1.09 7.81 * Residues marked with a * may have inaccurate shift predictions.