NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 P 4.4263 0.0000 0.0000 62.3910 32.1606 176.9713 21 Q 4.0167 8.6694 122.2121 57.9500 28.8643 175.6251 22 D 4.4997 8.6270 118.6210 53.8443 42.5634 177.8391 23 L 4.3631 8.5083 123.0795 55.1390 42.4656 176.4351 24 T 4.6090 8.8078 114.3823 59.7244 71.4094 173.1118 25 V 4.8035 8.4220 124.9616 61.0199 34.5710 174.5291 26 S 4.7691 9.1149 123.0050 56.5167 66.5212 172.6769 27 L 5.0671 8.6366 125.6890 53.4802 44.1136 175.2408 28 I 4.6424 8.8278 128.4327 58.5370 39.6044 173.8141 29 P 4.2737 0.0000 0.0000 63.5354 31.5528 174.5251 30 V 3.9164 8.5031 119.4657 63.9149 32.7265 175.0624 *37 K 4.1695 7.8492 125.3967 56.5934 33.2339 174.8241 38 N 5.0673 9.0192 124.9655 51.0566 41.2519 175.0215 39 A 4.1674 8.3462 122.0025 51.2267 19.9229 175.5186 40 P 4.2810 0.0000 0.0000 64.4700 31.7165 176.5020 41 S 4.2807 8.3100 115.7251 57.9639 61.2032 172.2231 42 A 4.0082 7.6671 121.4512 52.7807 18.9648 178.1629 43 K 4.6123 8.6718 122.4153 56.3691 32.6404 177.0092 44 I 4.5603 9.0677 116.3196 61.1326 40.3619 174.7883 45 A 5.0718 7.6345 122.1766 50.7245 23.0592 174.8168 46 K 4.8931 9.1028 120.1438 54.5935 35.7805 174.5818 47 L 5.1589 9.0765 129.8159 53.3251 44.4082 174.9601 48 V 4.9217 8.6260 125.7181 59.9576 34.8721 174.0536 49 V 4.5519 8.1846 126.8349 61.0461 34.1565 173.5391 50 N 5.9265 8.8534 125.2076 50.8795 41.6122 173.6027 51 S 5.0596 8.4670 114.3897 57.7732 64.8877 175.2822 52 T 4.2870 9.3783 117.1076 63.3131 68.7397 175.2748 53 T 4.4654 7.8170 111.6726 62.3278 71.0165 174.5024 54 L 4.2185 7.8931 121.3853 54.9439 42.4603 176.9100 55 K 4.4371 8.7394 121.1502 58.4287 33.6663 176.3544 56 E 5.4641 8.0949 116.1344 54.8432 33.9782 174.5122 57 F 5.3273 9.3177 116.0603 55.4128 42.1392 173.6192 58 G 5.1808 9.5006 107.1250 43.8660 0.0000 172.9387 59 V 5.6951 8.9848 120.8744 60.2140 34.6624 174.6592 60 R 4.5607 9.1690 121.9013 54.0982 34.3075 174.9187 61 G 2.1850 8.2528 109.9882 45.4244 0.0000 172.9775 62 I 4.3294 7.9253 124.0997 59.1881 38.8278 175.2305 63 S 4.6379 8.1567 120.1409 56.7017 65.4150 173.4665 64 N 4.5473 8.7765 121.3128 55.0536 37.7894 174.9873 65 N 5.0078 7.9223 116.4571 51.1172 38.8238 172.7540 66 V 4.4866 7.8993 120.6294 61.2068 33.3956 175.7005 67 V 4.6487 8.1757 128.1266 62.0308 31.5440 174.5999 68 D 4.4332 8.0254 117.2468 52.5993 41.0005 176.7173 69 S 4.0198 8.9288 114.7057 61.3759 62.1040 175.0415 70 T 4.3765 7.2688 106.2194 59.9854 69.4328 174.5667 71 G 3.7697 7.9312 110.9630 47.2256 0.0000 174.7787 72 T 4.8664 8.1094 107.8661 61.2988 70.5282 173.7251 73 A 5.2966 8.1659 124.5500 50.5237 22.8816 175.1485 74 W 5.2413 8.9801 118.4362 55.8608 32.2578 173.2740 75 R 5.0740 9.1973 119.8267 54.4941 31.7027 176.2475 76 V 4.5981 8.8146 122.6490 61.1122 34.1801 174.5123 77 A 4.6094 8.7945 130.9479 50.3725 19.8581 177.1320 78 G 3.0591 8.6625 111.5519 47.2482 0.0000 172.8134 *85 I 3.8549 7.5156 113.3405 60.4820 39.6016 174.8419 86 G 4.0875 8.5112 111.6207 45.7423 0.0000 173.1824 87 V 4.7505 8.8201 118.7282 58.8282 36.2688 174.9059 88 G 3.8163 7.2720 108.6895 45.9232 0.0000 172.1185 89 L 4.9157 8.4611 120.5257 54.3516 42.2551 178.2550 90 S 4.3885 8.7988 117.3769 57.7730 64.1083 175.5482 91 S 4.1547 8.6282 116.4919 61.8677 62.4019 176.3120 92 D 4.4029 8.0300 121.1092 57.1214 40.8613 178.5563 93 S 4.3313 8.0884 115.7458 61.6439 63.0482 176.5398 94 L 4.2514 8.3941 122.1184 58.0173 41.1206 179.5797 95 R 3.9852 8.0547 117.7130 59.1600 30.0611 177.9106 96 R 4.3073 7.7807 115.3525 55.5814 30.7053 176.6822 97 S 3.5751 7.3736 114.6229 58.2215 62.8859 173.6918 98 D 4.5675 8.4714 128.5366 57.3321 41.2673 176.2294 99 S 4.4554 7.2128 109.8270 58.1000 66.9285 174.4455 100 T 4.8840 8.3330 116.5206 61.7127 70.6133 173.7719 101 E 4.3726 8.6409 125.6047 54.0777 33.1274 175.1525 102 K 4.7242 8.4270 125.2291 55.1905 33.1477 175.6721 103 W 4.9993 9.1829 128.4471 56.1148 31.6674 175.6617 104 N 4.2934 10.3750 122.3742 54.6357 36.8326 174.6865 105 G 4.0642 8.9558 103.8279 44.7500 0.0000 173.6895 106 V 4.5058 7.8133 119.3414 60.8932 34.6605 174.2142 107 N 5.0696 8.6188 124.5617 52.8728 40.0473 173.9988 108 W 5.0493 8.9171 122.6240 55.0708 33.3197 174.4177 109 M 4.6526 8.8633 124.0054 55.0838 33.0458 175.3405 110 T 4.8884 8.3772 113.5504 60.2156 71.9948 173.4138 111 F 4.8215 8.5928 120.8183 55.2581 43.8754 173.5757 112 N 4.7218 8.1442 120.6029 54.3324 39.1395 174.7810 113 S 4.7233 9.0341 120.7104 59.8910 63.9552 174.9032 114 N 4.6778 9.3967 119.8794 53.3852 37.2304 174.4302 115 D 4.8881 7.8372 118.8759 55.0279 42.3369 175.3370 116 T 4.9793 8.4832 117.2460 61.9362 70.7678 173.7337 117 L 4.8306 9.0039 126.0585 53.0444 45.3294 174.9791 118 D 5.3247 9.0122 122.1118 52.8844 43.4925 175.3483 119 I 4.8734 8.6393 124.0682 59.9349 39.4269 175.3227 120 V 4.8433 8.9752 119.5871 59.0472 36.4437 174.7276 121 L 4.5088 8.6145 122.9973 54.7713 42.2608 177.6182 122 T 4.2700 8.4698 115.3663 61.6752 70.7283 176.3216 123 G 3.7190 8.4203 108.5193 45.2243 0.0000 171.0543 124 P 4.7743 0.0000 0.0000 61.3229 32.9100 176.1079 125 A 3.9832 8.4714 121.7960 53.3689 18.5476 177.1017 126 Q 4.5836 8.6018 121.0213 53.5174 31.3952 175.1462 127 N 5.0079 8.5196 127.1514 53.4330 37.4185 177.0440 *129 T 3.9500 8.4132 123.5264 63.9306 69.3036 172.8274 130 A 4.0045 8.6523 129.2455 53.3839 18.1050 175.3956 131 D 4.4277 8.2390 119.5782 55.1363 43.8587 174.0840 132 T 4.8683 8.0167 117.7690 61.9296 69.9601 173.5355 133 Y 4.7789 8.6319 123.8630 55.3659 40.3914 173.2962 134 P 4.6831 0.0000 0.0000 61.7557 32.5539 175.2295 135 I 4.7063 8.4420 123.3711 59.6400 39.7851 174.7037 136 T 4.6948 8.6641 121.4149 61.6880 71.5305 172.7862 137 L 5.0499 8.6813 125.9717 52.8472 44.7561 175.1777 138 D 5.0307 9.1186 123.0787 52.5279 43.4107 174.9532 139 V 5.4023 8.6460 125.3801 61.1165 34.4333 174.7798 140 V 4.3405 8.9302 125.9896 59.7285 34.6486 174.6023 141 G 4.2994 8.1822 109.3468 44.7159 0.0000 171.2876 142 Y 4.3556 8.4742 122.7799 55.9456 38.7659 175.6583 143 Q 4.1371 8.4488 124.9301 54.8748 29.5607 174.7833 144 P 4.4280 0.0000 0.0000 63.0285 31.3126 176.1742 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 20 P 0.00 4.43 0.00 2.22 2.27 0.00 3.66 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 21 Q 8.67 4.02 0.00 2.23 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.92 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 22 D 8.63 4.50 0.00 2.56 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 23 L 8.51 4.36 0.00 1.47 1.56 0.84 0.70 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 24 T 8.81 4.61 4.21 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 0.00 0.00 0.00 1.18 0.00 0.00 25 V 8.42 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 0.76 0.00 0.00 0.80 0.00 0.00 26 S 9.11 4.77 0.00 3.72 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 27 L 8.64 5.07 0.00 1.60 1.55 1.03 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 28 I 8.83 4.64 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.60 0.91 0.00 0.00 29 P 0.00 4.27 0.00 2.08 2.06 0.00 3.73 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 1.99 1.97 0.00 30 V 8.50 3.92 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 0.74 0.00 0.00 0.93 0.00 0.00 *37 K 7.85 4.17 0.00 1.80 1.76 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.53 7.81 38 N 9.02 5.07 0.00 2.52 2.65 0.00 0.00 7.03 7.38 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 39 A 8.35 4.17 1.22 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 40 P 0.00 4.28 0.00 2.03 2.01 0.00 3.81 0.00 0.00 3.63 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 41 S 8.31 4.28 0.00 4.03 3.90 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 42 A 7.67 4.01 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 43 K 8.67 4.61 0.00 1.64 1.73 0.00 1.68 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.42 7.81 44 I 9.07 4.56 1.82 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.91 0.88 0.00 0.00 45 A 7.63 5.07 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 46 K 9.10 4.89 0.00 1.78 1.61 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.52 7.81 47 L 9.08 5.16 0.00 1.78 1.50 0.96 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.63 4.92 2.04 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 1.24 0.00 0.00 0.92 0.00 0.00 49 V 8.18 4.55 0.91 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 0.55 0.00 0.00 -0.03 0.00 0.00 50 N 8.85 5.93 0.00 2.59 2.64 0.00 0.00 6.32 7.45 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 51 S 8.47 5.06 0.00 3.80 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 52 T 9.38 4.29 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 1.27 0.00 0.00 53 T 7.82 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 54 L 7.89 4.22 0.00 1.72 1.74 1.02 0.77 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 55 K 8.74 4.44 0.00 1.76 1.88 0.00 1.66 0.00 0.00 1.84 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.49 7.81 56 E 8.09 5.46 0.00 1.91 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 2.25 2.36 0.00 57 F 9.32 5.33 0.00 3.27 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 58 G 9.50 5.18 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 V 8.98 5.70 2.56 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 1.00 0.00 0.00 1.17 0.00 0.00 60 R 9.17 4.56 0.00 1.17 1.31 0.00 2.21 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.50 0.00 61 G 8.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 7.93 4.33 1.73 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.49 0.83 0.00 0.00 63 S 8.16 4.64 0.00 3.73 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 64 N 8.78 4.55 0.00 2.89 2.95 0.00 0.00 5.85 8.04 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 65 N 7.92 5.01 0.00 2.77 2.82 0.00 0.00 6.76 7.68 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 66 V 7.90 4.49 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 0.74 0.00 0.00 0.85 0.00 0.00 67 V 8.18 4.65 2.23 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 0.88 0.00 0.00 0.98 0.00 0.00 68 D 8.03 4.43 0.00 2.89 2.76 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 69 S 8.93 4.02 0.00 3.82 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 70 T 7.27 4.38 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 1.17 0.00 0.00 71 G 7.93 3.77 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 0.00 0.00 0.00 72 T 8.11 4.87 4.42 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 1.43 0.00 0.00 73 A 8.17 5.30 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 74 W 8.98 5.24 0.00 3.50 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 75 R 9.20 5.07 0.00 1.71 1.90 0.00 3.11 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 76 V 8.81 4.60 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 1.05 0.00 0.00 1.22 0.00 0.00 77 A 8.79 4.61 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 78 G 8.66 3.06 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 0.00 0.00 0.00 0.00 0.00 0.00 *85 I 7.52 3.85 1.78 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.06 0.66 0.00 0.00 86 G 8.51 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 87 V 8.82 4.75 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 -0.13 0.00 0.00 88 G 7.27 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 89 L 8.46 4.92 0.00 1.65 1.66 0.96 0.98 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 90 S 8.80 4.39 0.00 4.01 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 91 S 8.63 4.15 0.00 4.08 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 0.00 92 D 8.03 4.40 0.00 2.68 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 93 S 8.09 4.33 0.00 4.03 3.85 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 0.00 0.00 0.00 94 L 8.39 4.25 0.00 1.90 1.80 1.08 0.84 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 95 R 8.05 3.99 0.00 2.02 2.17 0.00 3.27 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 96 R 7.78 4.31 0.00 2.21 2.09 0.00 3.28 0.00 0.00 3.24 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.88 0.00 97 S 7.37 3.58 0.00 3.36 3.54 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 98 D 8.47 4.57 0.00 2.44 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 99 S 7.21 4.46 0.00 3.83 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 0.00 100 T 8.33 4.88 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 1.13 0.00 0.00 101 E 8.64 4.37 0.00 1.16 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 1.81 1.90 0.00 102 K 8.43 4.72 0.00 1.82 1.73 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.44 1.51 7.81 103 W 9.18 5.00 0.00 3.57 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 0.00 104 N 10.38 4.29 0.00 2.93 3.04 0.00 0.00 7.39 7.98 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 0.00 105 G 8.96 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 106 V 7.81 4.51 2.30 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 0.76 0.00 0.00 1.06 0.00 0.00 107 N 8.62 5.07 0.00 2.87 2.64 0.00 0.00 6.89 7.68 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 0.00 108 W 8.92 5.05 0.00 2.71 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 0.00 109 M 8.86 4.65 0.00 1.72 2.17 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.49 0.00 110 T 8.38 4.89 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 1.07 0.00 0.00 111 F 8.59 4.82 0.00 1.80 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 0.00 112 N 8.14 4.72 0.00 2.67 3.19 0.00 0.00 7.09 7.51 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 0.00 113 S 9.03 4.72 0.00 4.17 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 0.00 114 N 9.40 4.68 0.00 3.06 3.01 0.00 0.00 7.28 7.40 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 0.00 115 D 7.84 4.89 0.00 3.11 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 0.00 116 T 8.48 4.98 4.27 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 1.27 0.00 0.00 117 L 9.00 4.83 0.00 1.50 1.41 0.05 0.54 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 0.00 118 D 9.01 5.32 0.00 2.58 2.55 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 0.00 119 I 8.64 4.87 1.87 0.00 0.00 1.00 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 1.01 0.87 0.00 0.00 120 V 8.98 4.84 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 0.83 0.00 0.00 0.93 0.00 0.00 121 L 8.61 4.51 0.00 1.49 1.49 0.81 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 122 T 8.47 4.27 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 1.09 0.00 0.00 123 G 8.42 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 0.00 0.00 0.00 124 P 0.00 4.77 0.00 1.93 1.99 0.00 3.69 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 125 A 8.47 3.98 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 0.00 126 Q 8.60 4.58 0.00 1.93 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.49 0.00 127 N 8.52 5.01 0.00 2.68 2.35 0.00 0.00 6.96 7.54 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 *129 T 8.41 3.95 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 1.27 0.00 0.00 130 A 8.65 4.00 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 0.00 131 D 8.24 4.43 0.00 2.67 2.35 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 0.00 132 T 8.02 4.87 4.21 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 0.00 0.00 0.00 1.24 0.00 0.00 133 Y 8.63 4.78 0.00 2.86 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 0.00 134 P 0.00 4.68 0.00 2.24 2.09 0.00 3.82 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 135 I 8.44 4.71 1.99 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.03 1.18 0.00 0.00 136 T 8.66 4.69 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 0.00 137 L 8.68 5.05 0.00 1.53 1.59 1.03 1.19 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 0.00 138 D 9.12 5.03 0.00 2.72 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 8.65 5.40 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 0.93 0.00 0.00 0.98 0.00 0.00 140 V 8.93 4.34 1.51 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 -0.01 0.00 0.00 0.11 0.00 0.00 141 G 8.18 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 0.00 0.00 0.00 0.00 142 Y 8.47 4.36 0.00 2.75 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 0.00 143 Q 8.45 4.14 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.04 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 144 P 0.00 4.43 0.00 2.05 1.99 0.00 3.77 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.11 0.00 * Residues marked with a * may have inaccurate shift predictions.