NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 4.0905 8.3549 109.7364 46.2962 0.0000 175.4568 17 I 3.6190 8.1456 124.5943 63.3279 36.9880 175.1161 18 T 3.9285 7.8991 116.0324 63.3012 69.9265 174.3639 19 G 3.5464 7.2239 112.5496 45.0081 0.0000 170.6679 20 T 4.6282 7.6309 116.6170 61.3930 71.3482 173.6288 21 W 4.7308 8.5289 125.6646 54.8500 33.2296 174.0381 22 Y 5.4526 9.3048 120.0382 56.3635 41.4532 174.7425 23 N 5.6065 9.1764 120.3544 50.9411 40.0607 176.9669 24 Q 3.7893 7.7646 117.2832 58.5822 29.5875 178.4960 25 L 4.7255 8.0976 117.8593 54.0266 42.5017 177.5186 26 G 4.0869 8.4962 108.6655 45.3635 0.0000 175.0624 27 S 4.5446 8.7093 116.4151 58.8622 64.4241 173.3928 28 T 5.0326 8.1681 117.8887 61.6444 72.5191 172.8486 29 F 5.0871 9.0249 120.6482 55.0304 41.1701 173.6022 30 I 4.8388 8.4630 124.6780 59.4642 39.0190 175.0921 31 V 4.9630 8.6879 126.4896 60.1203 35.4470 174.7486 32 T 4.7887 9.2655 118.3117 61.8069 72.1509 172.8052 33 A 4.7180 8.3895 129.0990 50.4745 19.4131 177.5029 34 G 4.3618 9.6076 111.5161 45.0608 0.0000 173.7154 35 A 4.3246 8.3774 121.4012 53.4122 18.9753 178.3091 36 D 4.3885 8.0049 114.9527 54.1406 40.1131 177.9480 37 G 3.4394 8.1698 109.2060 44.8097 0.0000 172.7200 38 A 4.6058 8.0332 121.9054 51.4333 20.2384 176.5779 39 L 5.2768 8.8949 121.7881 53.1669 44.7091 175.9123 40 T 4.9675 9.3336 112.6665 59.6560 72.9243 174.4770 41 G 4.3547 7.3205 106.4720 46.4595 0.0000 171.0779 42 T 5.1551 7.5789 115.0631 62.0666 73.5487 172.2441 43 Y 4.9764 9.4043 125.9466 56.0162 40.6648 172.9638 44 E 5.2019 8.7324 130.1663 54.9831 33.6390 174.4538 *48 G 3.9629 9.0833 115.1899 46.3222 0.0000 175.0072 49 N 4.5325 9.0750 119.7297 51.4725 39.2163 176.0035 50 A 3.8383 8.6628 124.5128 55.4763 18.3518 178.8315 51 E 3.9770 7.6082 109.8831 57.3057 30.0841 176.9196 52 S 4.7988 8.1628 115.5346 58.5947 64.4192 173.3352 53 R 4.9378 7.4872 119.4180 54.8665 31.5604 175.4735 54 Y 4.8776 9.1483 120.5564 55.9410 42.5006 174.9399 55 V 4.3183 8.5792 122.4539 62.7721 32.3533 175.0771 56 L 5.1076 8.4922 127.2798 54.4356 43.1758 175.5094 57 T 4.8094 8.4978 113.8662 61.4272 71.5952 173.3316 58 G 4.1833 8.4454 111.5705 46.3360 0.0000 172.0659 59 R 5.6372 8.7376 117.5413 54.9127 34.8257 174.0927 60 Y 5.3255 8.7761 118.8977 55.2612 41.8380 174.5152 61 D 4.3176 9.1957 120.3128 54.0357 40.5962 176.4359 62 S 4.4242 8.1433 120.5017 58.6470 63.8461 175.0251 63 A 4.6944 7.9877 123.5275 50.5295 19.3781 174.0662 64 P 4.7289 0.0000 0.0000 60.8185 32.6530 177.2017 65 A 4.1218 8.3915 121.7458 53.0965 19.2725 178.2593 66 T 4.6534 8.2161 117.0455 62.7768 68.0303 174.7250 67 D 4.7049 7.8159 115.0164 52.9656 41.1972 176.9595 68 G 3.9989 8.5004 107.4616 45.5540 0.0000 174.4260 69 S 4.3236 8.0740 115.6853 58.1356 63.4243 174.3337 70 G 4.0300 8.3437 110.2931 46.2346 0.0000 172.5128 71 T 4.8129 8.7794 116.5659 61.5356 70.1330 174.8764 72 A 4.8047 8.7074 129.3387 52.2672 19.9351 175.8349 73 L 4.9951 8.8572 119.9813 55.6259 44.5524 173.8770 74 G 4.6459 9.1815 105.5178 45.3812 0.0000 172.1120 75 W 5.8005 8.4623 117.9006 55.4741 32.5102 173.4773 76 T 5.2237 9.3713 116.4327 61.8435 72.4913 173.4909 77 V 4.3701 8.6865 124.0605 60.9798 34.5514 173.8768 78 A 4.4035 8.2937 129.8723 49.8156 19.9615 178.0723 79 W 4.0813 8.2284 126.2565 55.0792 27.9434 176.1925 80 K 5.1385 7.7987 118.2252 54.7451 34.8290 174.4843 81 N 5.2178 9.3757 124.0669 51.3589 40.0726 174.2159 82 N 3.8426 8.7926 113.9440 56.3498 38.6923 175.5527 83 Y 4.3972 7.5585 114.5448 59.1652 39.2312 175.5981 84 R 4.6768 9.1289 114.5210 55.1646 32.6614 173.7007 85 N 5.1917 8.4749 116.5184 52.8396 40.5302 173.3701 86 A 4.3796 8.9991 128.5099 51.4127 19.7991 176.3661 87 H 4.1612 8.8393 114.6711 56.3370 26.9778 173.4349 88 S 5.1934 7.3598 111.3718 57.7525 66.8356 174.4670 89 A 4.9542 9.0129 121.2228 50.7567 22.8633 175.1856 90 T 4.8953 8.8213 117.7959 61.7140 71.7844 173.3410 91 T 4.9083 8.5696 115.7584 59.5977 71.8737 172.8046 92 W 4.9727 8.7761 124.7232 54.7753 32.0180 174.5210 93 S 4.7722 8.8887 119.4447 56.7386 64.8146 172.9019 94 G 4.5088 8.4596 113.3572 46.6851 0.0000 171.8047 95 Q 5.2464 8.6001 118.3022 55.0518 32.7261 173.3768 96 Y 5.0612 9.2771 122.3696 56.4205 41.0234 174.4234 97 V 4.1367 8.3569 126.2120 61.2764 34.1565 174.7719 98 G 3.9237 8.1396 120.7762 45.2140 0.0000 171.5616 99 G 3.8003 9.0201 105.6870 43.8771 0.0000 172.0877 100 A 3.4439 7.8467 118.0239 54.7795 18.7526 177.0410 101 E 4.3723 7.8228 126.0660 53.2719 30.1904 175.9218 102 A 4.5597 8.4091 128.8166 52.1777 19.2203 176.4051 103 R 5.3346 9.2126 117.2871 54.8007 33.9940 174.1474 104 I 4.9618 8.7698 120.6541 59.8940 40.1532 174.2459 105 N 5.3700 9.0358 125.9121 52.0785 40.3804 174.6757 106 T 5.3408 9.2512 113.2051 60.1670 73.1224 172.6548 107 Q 5.1960 9.0356 121.2312 53.9829 32.1719 174.8002 108 W 5.4418 8.2243 117.9878 54.8944 32.3565 173.6633 109 L 5.2318 8.8524 120.8734 52.9150 44.6096 175.1325 110 L 5.0271 9.1600 126.1207 53.7308 44.3245 174.8961 111 T 5.1277 8.8225 123.5146 61.9874 71.0701 173.7687 112 S 5.2069 8.7294 122.1992 56.4196 65.5040 174.3347 113 G 3.8827 8.7857 111.4496 46.5647 0.0000 173.2511 114 T 4.7846 8.3247 114.1731 59.5594 71.8624 173.5022 115 T 4.4735 8.0755 112.6390 61.0220 69.6220 175.3764 116 E 3.9923 8.6727 120.3548 59.2265 29.8077 179.6473 117 A 4.0661 8.1895 121.0147 55.0242 18.7291 177.7425 118 N 4.7379 7.9521 110.3639 52.9843 39.1678 176.9209 119 A 4.2780 8.0601 123.5321 54.1553 18.6299 180.5553 120 W 4.3365 8.3767 112.4593 58.5550 28.3230 176.7046 121 K 4.1576 6.3445 118.2938 56.1072 32.2437 177.0098 122 S 4.2932 7.6994 113.9268 60.3281 63.7699 173.1737 123 T 5.0334 7.4740 117.6377 61.9301 71.1024 173.3550 124 L 4.7564 9.1019 127.2591 53.4459 43.9805 176.0891 125 V 4.3905 7.8535 120.3812 60.4036 34.6545 175.2048 126 G 3.0270 6.5221 107.5190 45.8235 0.0000 171.2846 127 H 5.4781 8.0787 113.6492 54.4014 31.7447 172.6468 128 D 5.0302 9.2915 118.7052 53.2531 46.0436 174.3834 129 T 5.1397 9.1718 118.3247 61.8797 72.0638 172.9810 130 F 5.5318 9.4282 124.6457 56.1536 42.2413 174.7099 131 T 5.2590 9.4222 118.7054 61.5673 72.1335 174.4859 132 K 3.7024 8.2719 123.4772 55.8372 32.1408 176.6206 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 16 G 8.35 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 0.00 0.00 0.00 0.00 17 I 8.15 3.62 1.37 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 -0.36 0.61 0.00 0.00 18 T 7.90 3.93 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 1.15 0.00 0.00 19 G 7.22 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.63 4.63 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 0.75 0.00 0.00 21 W 8.53 4.73 0.00 1.93 2.74 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 22 Y 9.30 5.45 0.00 3.01 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 23 N 9.18 5.61 0.00 2.52 2.53 0.00 0.00 6.62 7.16 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 24 Q 7.76 3.79 0.00 2.24 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.55 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 25 L 8.10 4.73 0.00 1.70 1.73 1.00 0.99 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 26 G 8.50 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 0.00 0.00 0.00 0.00 27 S 8.71 4.54 0.00 4.08 3.83 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 28 T 8.17 5.03 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 0.94 0.00 0.00 29 F 9.02 5.09 0.00 2.65 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 30 I 8.46 4.84 1.80 0.00 0.00 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 1.15 0.54 0.83 0.00 0.00 31 V 8.69 4.96 2.20 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 0.68 0.00 0.00 0.83 0.00 0.00 32 T 9.27 4.79 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 1.18 0.00 0.00 33 A 8.39 4.72 0.71 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 34 G 9.61 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 0.00 0.00 0.00 0.00 35 A 8.38 4.32 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 D 8.00 4.39 0.00 2.83 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 37 G 8.17 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.03 4.61 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.89 5.28 0.00 1.79 1.54 0.77 0.55 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 40 T 9.33 4.97 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 1.21 0.00 0.00 41 G 7.32 4.35 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 0.00 42 T 7.58 5.16 4.30 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 1.31 0.00 0.00 43 Y 9.40 4.98 0.00 2.93 2.97 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 44 E 8.73 5.20 0.00 1.78 1.69 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 2.26 2.05 0.00 *48 G 9.08 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 0.00 0.00 0.00 49 N 9.07 4.53 0.00 2.90 2.90 0.00 0.00 5.79 6.99 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 50 A 8.66 3.84 1.11 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 51 E 7.61 3.98 0.00 2.00 1.43 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 2.15 2.18 0.00 52 S 8.16 4.80 0.00 4.06 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 53 R 7.49 4.94 0.00 1.78 1.82 0.00 3.15 0.00 0.00 3.40 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.59 0.00 54 Y 9.15 4.88 0.00 2.89 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.58 4.32 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 0.78 0.00 0.00 0.94 0.00 0.00 56 L 8.49 5.11 0.00 1.73 1.49 0.52 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.50 4.81 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 1.23 0.00 0.00 58 G 8.45 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 59 R 8.74 5.64 0.00 1.76 1.79 0.00 3.28 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 60 Y 8.78 5.33 0.00 3.09 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 61 D 9.20 4.32 0.00 2.72 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.14 4.42 0.00 3.89 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 63 A 7.99 4.69 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 64 P 0.00 4.73 0.00 2.27 2.18 0.00 3.45 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 65 A 8.39 4.12 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 66 T 8.22 4.65 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 1.24 0.00 0.00 67 D 7.82 4.70 0.00 2.71 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 68 G 8.50 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.07 4.32 0.00 3.98 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 70 G 8.34 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 71 T 8.78 4.81 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 72 A 8.71 4.80 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 73 L 8.86 5.00 0.00 2.07 1.93 1.01 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.18 4.65 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 0.00 0.00 0.00 75 W 8.46 5.80 0.00 3.43 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 76 T 9.37 5.22 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 1.21 0.00 0.00 77 V 8.69 4.37 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 0.77 0.00 0.00 78 A 8.29 4.40 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 79 W 8.23 4.08 0.00 3.29 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 80 K 7.80 5.14 0.00 1.88 1.71 0.00 1.76 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.47 7.81 81 N 9.38 5.22 0.00 2.87 2.85 0.00 0.00 6.56 6.98 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 82 N 8.79 3.84 0.00 1.45 2.52 0.00 0.00 6.72 7.46 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 83 Y 7.56 4.40 0.00 3.05 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 84 R 9.13 4.68 0.00 1.97 2.11 0.00 3.06 0.00 0.00 3.46 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.97 0.00 85 N 8.47 5.19 0.00 2.67 2.65 0.00 0.00 6.88 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 86 A 9.00 4.38 1.24 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 0.00 0.00 0.00 87 H 8.84 4.16 0.00 3.27 3.28 0.00 5.65 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.36 5.19 0.00 4.02 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 89 A 9.01 4.95 1.16 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 0.00 0.00 90 T 8.82 4.90 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 -0.60 0.00 0.00 91 T 8.57 4.91 4.15 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 1.14 0.00 0.00 92 W 8.78 4.97 0.00 1.78 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 0.00 0.00 0.00 93 S 8.89 4.77 0.00 3.77 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 94 G 8.46 4.51 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 0.00 0.00 0.00 95 Q 8.60 5.25 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 96 Y 9.28 5.06 0.00 3.02 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 97 V 8.36 4.14 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 0.93 0.00 0.00 0.92 0.00 0.00 98 G 8.14 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 0.00 0.00 0.00 99 G 9.02 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 0.00 100 A 7.85 3.44 1.26 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 0.00 0.00 0.00 101 E 7.82 4.37 0.00 1.94 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 2.24 2.24 0.00 102 A 8.41 4.56 1.43 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 0.00 0.00 103 R 9.21 5.33 0.00 1.99 2.28 0.00 2.75 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 104 I 8.77 4.96 1.89 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 -0.08 1.19 0.00 0.00 105 N 9.04 5.37 0.00 2.75 2.81 0.00 0.00 6.09 7.21 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 0.00 106 T 9.25 5.34 4.51 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 1.49 0.00 0.00 107 Q 9.04 5.20 0.00 1.91 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.74 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 108 W 8.22 5.44 0.00 2.71 2.38 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 0.00 109 L 8.85 5.23 0.00 1.51 1.54 0.87 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.16 5.03 0.00 1.58 1.66 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.82 5.13 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 1.19 0.00 0.00 112 S 8.73 5.21 0.00 3.67 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 0.00 113 G 8.79 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 0.00 114 T 8.32 4.78 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 1.23 0.00 0.00 115 T 8.08 4.47 4.25 0.00 0.00 0.00 0.00 0.00 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 0.00 116 E 8.67 3.99 0.00 2.07 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 0.00 2.42 2.33 0.00 117 A 8.19 4.07 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 0.00 118 N 7.95 4.74 0.00 2.72 2.66 0.00 0.00 6.92 7.75 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 0.00 119 A 8.06 4.28 1.37 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 0.00 0.00 120 W 8.38 4.34 0.00 3.61 3.26 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 0.00 121 K 6.34 4.16 0.00 1.20 0.74 0.00 1.23 0.00 0.00 1.06 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.30 0.80 7.81 122 S 7.70 4.29 0.00 4.14 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 0.00 123 T 7.47 5.03 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 1.18 0.00 0.00 124 L 9.10 4.76 0.00 1.79 1.72 0.97 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.85 4.39 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 0.54 0.00 0.00 0.70 0.00 0.00 126 G 6.52 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 0.00 0.00 0.00 127 H 8.08 5.48 0.00 3.20 3.14 0.00 5.69 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.29 5.03 0.00 3.12 2.40 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 0.00 129 T 9.17 5.14 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 1.43 0.00 0.00 130 F 9.43 5.53 0.00 3.11 3.26 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 0.00 131 T 9.42 5.26 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 1.34 0.00 0.00 132 K 8.27 3.70 0.00 0.79 1.20 0.00 1.19 0.00 0.00 0.61 0.00 0.00 2.71 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.59 0.21 7.81 * Residues marked with a * may have inaccurate shift predictions.