NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.3719 8.1876 119.6950 56.2498 31.0223 176.9761 4 S 4.2258 7.7799 112.0111 60.0087 63.3193 174.4468 5 N 4.3831 8.3766 120.8590 56.2795 38.8060 178.1686 6 R 3.9640 7.6394 118.8842 59.4846 30.1733 178.5040 7 E 3.9420 7.9779 118.0205 58.8810 29.5704 178.5129 8 L 3.7600 7.9907 120.6931 58.2949 42.0767 179.1559 9 V 3.8650 7.7913 117.8144 66.3416 31.3928 178.2118 10 V 2.9113 7.7277 117.7873 65.4460 31.2160 177.5152 11 D 4.1136 8.0196 117.9193 57.2314 41.0871 178.0066 12 F 4.0607 8.2155 121.0537 61.3704 39.3531 177.0774 13 L 4.1518 8.1435 118.6555 57.8132 41.3282 179.5729 14 S 4.2709 8.1320 115.3516 61.8253 62.8024 176.0527 15 Y 4.1831 7.9589 121.9397 60.9000 38.3116 178.4913 16 K 3.8847 7.8229 117.9368 59.2267 32.3970 179.1624 17 L 4.2878 8.3176 119.9292 57.8296 41.6250 179.6477 18 S 4.5805 8.7002 116.0815 61.0047 62.6357 176.2571 19 Q 4.0910 7.6885 119.9762 57.1225 28.0816 176.8795 20 K 4.2574 7.6753 119.5954 55.8590 32.7140 177.6323 21 G 3.9330 7.8270 105.8111 45.9112 0.0000 173.7796 22 Y 4.9783 7.0107 117.1906 56.4574 39.8644 174.4172 23 S 4.9613 8.6556 117.2311 55.9915 64.6256 174.6249 24 W 4.5794 9.3549 135.0000 60.9131 30.5517 177.7650 25 S 4.3721 7.8296 112.1835 61.8368 62.2981 175.6284 26 Q 3.8317 7.6422 116.7924 57.0668 28.3828 176.4280 27 F 4.8998 7.9510 115.2729 56.6479 42.1451 173.8185 28 S 4.4874 7.1750 117.3202 58.2203 64.4547 175.9226 *82 E 4.3072 9.6847 120.6989 56.0953 30.2035 177.1317 83 S 4.1938 8.9726 126.5757 61.6176 64.0997 175.8863 84 E 3.9462 8.1317 122.0037 59.0926 29.3272 178.7063 85 A 4.0396 7.7681 121.1108 54.6179 18.3139 179.9958 86 V 3.5868 7.5139 116.6649 66.0807 31.7508 177.8671 87 K 3.6670 7.6801 118.0726 59.6150 31.9449 178.6804 88 Q 3.7871 8.0661 119.0551 59.3459 28.9735 178.5262 89 A 4.0275 7.8784 121.2249 55.1092 18.3345 179.3806 90 L 4.0755 8.2815 118.8299 58.4304 42.1657 179.0428 91 R 3.9174 8.3459 118.5051 59.7040 29.9340 178.8804 92 E 4.0541 8.3369 117.7071 59.2193 29.4510 179.1358 93 A 4.3315 8.8844 121.4297 55.2749 18.4957 179.9480 94 G 3.9040 8.7967 104.5348 48.0677 0.0000 175.6519 95 D 4.4328 8.5147 121.3751 57.1016 40.8218 178.3957 96 E 3.9706 8.5059 119.7776 59.3318 29.7067 178.1904 97 F 4.2904 8.7437 121.0579 61.9975 39.4689 177.2414 98 E 3.6075 8.5154 117.5103 58.7136 28.8800 179.5466 99 L 3.9622 7.7270 118.7053 57.9641 41.9806 179.4585 100 R 3.9051 8.1422 116.3442 57.8519 30.7380 176.5053 101 Y 4.7558 7.5577 116.3968 56.8450 38.9734 177.5904 102 R 4.4550 8.0226 123.0064 59.2662 30.2641 176.5372 103 R 3.8810 8.0565 117.0660 59.2141 29.9798 177.4324 104 A 4.1391 8.1619 119.7593 55.6873 18.1509 179.2498 105 F 3.5958 8.2065 114.5424 59.6082 39.2281 177.9539 106 S 4.4447 8.1584 114.0555 60.2477 63.0487 174.1742 107 D 4.9176 7.4666 121.1827 52.1181 39.1623 176.8718 108 L 3.7349 7.8845 121.9356 59.0424 42.5767 177.0186 109 T 4.4838 7.5383 105.5231 61.3979 69.9768 176.3697 110 S 4.0559 8.1647 120.0226 62.3823 62.7889 176.2584 111 Q 4.1338 7.8532 115.0526 57.0607 28.6272 177.0894 112 L 4.0433 7.6698 118.4015 55.7599 42.3786 176.5589 113 H 4.0821 7.7284 114.2080 56.1925 26.4937 175.5096 114 I 3.8215 7.6787 118.3012 62.3393 38.0676 176.7821 115 T 4.7959 8.3329 114.2505 58.6204 73.0606 173.3145 116 P 4.5423 0.0000 0.0000 65.7730 31.3649 178.9661 117 G 3.7733 8.1321 103.8352 47.4182 0.0000 174.9683 118 T 4.3686 8.2652 110.5893 62.4610 69.4000 176.1242 119 A 3.9788 8.4595 124.1266 56.1613 18.3554 178.5768 120 Y 2.5126 7.9240 115.5575 60.3806 38.8951 178.6142 121 Q 3.8173 7.9937 119.6766 59.0040 29.1576 178.2040 122 S 4.0325 8.2002 116.3280 61.4973 62.9427 176.0821 123 F 4.2482 8.3053 123.5301 61.6748 39.0879 176.8746 124 E 3.6295 8.1369 118.8848 59.0937 29.3870 178.8122 125 Q 3.8384 7.8407 118.1870 58.7481 28.7557 178.7806 126 V 3.2194 7.3668 119.1771 65.9238 31.5294 178.3172 127 V 3.2433 7.1444 117.8890 65.7840 31.3354 177.7239 128 N 4.3647 7.9147 116.2662 56.3300 38.1497 177.2899 129 E 3.8457 7.6459 118.6429 59.2597 29.6270 178.6200 130 L 3.7453 7.4619 119.1687 57.3760 42.2374 178.1113 131 F 4.9373 7.5109 115.5439 55.8808 39.3803 177.1237 132 R 3.8673 7.4711 120.2401 59.2094 29.7692 177.1204 133 D 4.7666 8.9492 113.8101 51.9738 39.3873 175.0061 134 G 4.1894 6.9407 105.4971 43.9190 0.0000 173.2765 135 V 4.1251 7.4764 119.8190 60.7501 33.4733 174.6792 136 N 4.4560 7.5564 122.1632 50.0732 41.8260 175.4824 137 W 4.4505 8.8451 119.8471 59.7319 28.9948 179.0742 138 G 3.8266 8.4672 105.5938 47.8567 0.0000 175.9553 139 R 3.8885 8.9264 120.8676 58.8165 29.9758 179.1686 140 I 3.9888 7.8123 119.7543 64.5584 37.1136 178.4613 141 V 3.6216 8.0342 118.7424 66.0513 31.2961 177.6752 142 A 3.3634 8.1617 120.7617 54.9962 18.0568 179.1393 143 F 4.1716 8.3070 118.9050 61.6632 39.4368 177.1927 144 F 3.5608 8.3055 117.0512 60.6255 38.6436 177.9106 145 S 4.5990 8.3554 114.7434 61.6512 62.6860 176.3845 146 F 4.5168 9.1378 123.7792 61.6190 39.1559 177.1991 147 G 3.6250 8.3415 105.6441 47.7724 0.0000 175.7757 148 G 3.7370 8.5572 107.6716 47.7685 0.0000 175.6089 149 A 4.1341 8.4021 123.9879 54.6902 18.3155 179.5708 150 L 3.7961 7.7411 118.7048 58.3676 42.1662 178.9117 151 C 3.9418 7.9367 116.6206 62.8242 28.0452 176.1319 152 V 3.6197 7.8942 119.7541 66.1412 31.0814 177.5504 153 E 3.9153 8.3147 118.8396 59.3404 29.3858 178.6088 154 S 4.0309 7.9428 115.1698 61.8166 62.9231 177.0562 155 V 3.3103 7.4105 120.2644 66.0236 30.9821 177.4317 156 D 4.5083 7.8916 117.4171 57.5221 40.8510 178.5362 157 K 4.2906 8.2232 115.3782 55.7376 32.2251 176.7986 158 E 3.8053 8.1283 117.9783 57.8363 27.6666 174.7404 159 M 4.5645 8.2193 117.4726 54.7068 32.5575 178.3373 160 Q 3.8251 8.2165 120.0175 59.6580 27.5255 179.1892 161 V 3.5904 7.9269 112.4607 64.7167 31.5036 178.4157 162 L 4.0579 8.1099 118.5232 57.2264 41.3310 179.5599 163 V 3.3311 7.4200 118.8800 65.9904 31.3277 178.2765 164 S 4.0156 7.6298 113.3409 61.2197 62.9995 176.3627 165 R 3.2921 6.9456 120.1731 58.7293 29.6252 178.8642 166 I 2.9365 7.1721 119.3935 64.1209 37.1129 177.9710 167 A 3.9931 7.7940 121.1382 55.3907 18.1196 179.5880 168 A 3.9537 7.8072 118.8570 55.1820 18.4126 179.7938 169 W 4.4705 8.1669 117.8102 60.3822 28.9860 178.7510 170 M 4.6525 8.4956 118.5935 58.4200 31.4186 178.5788 171 A 4.1583 8.2852 120.9636 55.6327 18.6025 179.9334 172 T 3.9343 8.3791 114.2803 66.9886 68.6089 176.3958 173 Y 4.0746 8.7596 121.9256 60.6079 38.7921 178.0430 174 L 3.8994 8.6731 121.6475 58.2745 42.0578 178.7690 175 N 4.3624 8.0402 115.1346 56.3692 38.5905 176.6840 176 D 4.4308 7.8963 118.5826 55.8321 41.2505 177.0514 177 H 4.5542 7.7090 113.8572 54.8682 31.2990 174.9480 178 L 4.2432 7.3458 118.0170 55.7623 43.1662 178.0460 179 E 3.9421 8.1710 119.1808 58.7035 29.5366 177.0491 180 P 4.1721 0.0000 0.0000 65.3537 31.3714 178.2616 181 W 3.9282 8.0287 126.5493 60.3282 30.6285 177.8721 182 I 3.1754 7.8012 119.7942 64.2598 36.5787 178.4395 183 Q 3.8874 8.1645 119.0083 59.0724 28.4343 178.6783 184 E 4.0225 7.7904 117.4667 58.1318 29.3644 177.4594 185 N 4.5793 6.8992 115.4013 53.1803 39.2011 175.0327 186 G 4.4315 7.8646 108.0236 45.5337 0.0000 175.5896 187 G 3.9552 8.7119 107.5198 44.7218 0.0000 174.0309 188 W 4.3126 8.7508 117.0705 59.1937 28.7960 178.2820 189 D 4.5384 8.3227 118.8232 56.2429 38.8139 178.6166 190 T 4.0807 7.8105 117.8824 66.2963 68.5594 176.2215 191 F 3.1097 7.6667 122.1042 61.2387 39.2467 177.0999 192 V 3.4979 7.9516 117.4559 65.9973 30.9886 177.8062 193 E 3.8886 7.5352 117.2211 59.5573 29.4523 179.0710 194 L 4.1313 7.8017 117.5132 56.7219 41.8540 177.9874 195 Y 4.4672 7.8553 113.4587 57.2635 38.8921 175.9708 196 G 3.6705 7.7835 114.7480 45.6734 0.0000 173.8999 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 3 Q 8.19 4.37 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 4 S 7.78 4.23 0.00 4.10 4.11 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 5 N 8.38 4.38 0.00 2.90 3.03 0.00 0.00 6.78 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 6 R 7.64 3.96 0.00 1.98 2.15 0.00 3.13 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 7 E 7.98 3.94 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 2.50 2.35 0.00 8 L 7.99 3.76 0.00 1.77 1.65 -0.21 0.33 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 9 V 7.79 3.86 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 1.07 0.00 0.00 1.13 0.00 0.00 10 V 7.73 2.91 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 -0.32 0.00 0.00 0.85 0.00 0.00 11 D 8.02 4.11 0.00 2.81 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 12 F 8.22 4.06 0.00 3.04 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 13 L 8.14 4.15 0.00 1.74 1.91 1.08 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.13 4.27 0.00 3.99 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 15 Y 7.96 4.18 0.00 2.99 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 16 K 7.82 3.88 0.00 1.72 1.81 0.00 1.77 0.00 0.00 1.55 0.00 0.00 2.71 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.96 1.47 7.81 17 L 8.32 4.29 0.00 2.09 1.96 1.14 1.10 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 18 S 8.70 4.58 0.00 4.04 4.38 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 19 Q 7.69 4.09 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.34 0.00 0.00 0.00 0.00 0.00 2.02 1.87 0.00 20 K 7.68 4.26 0.00 1.54 1.42 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.27 1.49 7.81 21 G 7.83 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 22 Y 7.01 4.98 0.00 3.12 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 23 S 8.66 4.96 0.00 3.86 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 24 W 9.35 4.58 0.00 3.55 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 25 S 7.83 4.37 0.00 3.93 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 26 Q 7.64 3.83 0.00 1.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.02 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 27 F 7.95 4.90 0.00 2.34 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 28 S 7.18 4.49 0.00 3.89 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 *82 E 9.68 4.31 0.00 2.11 1.80 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 2.29 2.37 0.00 83 S 8.97 4.19 0.00 3.98 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 84 E 8.13 3.95 0.00 1.97 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 2.36 2.29 0.00 85 A 7.77 4.04 1.36 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 86 V 7.51 3.59 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 0.62 0.00 0.00 1.05 0.00 0.00 87 K 7.68 3.67 0.00 1.91 1.87 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.77 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.45 7.81 88 Q 8.07 3.79 0.00 2.22 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.49 0.00 89 A 7.88 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.28 4.08 0.00 1.67 1.70 0.44 -0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.35 3.92 0.00 1.79 1.27 0.00 2.70 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.66 0.00 92 E 8.34 4.05 0.00 2.28 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 0.00 2.35 2.37 0.00 93 A 8.88 4.33 1.68 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 94 G 8.80 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 0.00 0.00 0.00 95 D 8.51 4.43 0.00 3.01 2.82 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 96 E 8.51 3.97 0.00 2.14 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 0.00 2.50 2.42 0.00 97 F 8.74 4.29 0.00 3.34 3.36 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 98 E 8.52 3.61 0.00 1.95 1.74 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 1.47 2.09 0.00 99 L 7.73 3.96 0.00 1.84 1.70 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 100 R 8.14 3.91 0.00 1.52 1.36 0.00 3.15 0.00 0.00 3.14 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.77 0.00 101 Y 7.56 4.76 0.00 2.85 2.82 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 0.00 102 R 8.02 4.46 0.00 2.08 1.95 0.00 3.24 0.00 0.00 3.22 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.58 0.00 103 R 8.06 3.88 0.00 1.87 1.96 0.00 3.35 0.00 0.00 3.25 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 104 A 8.16 4.14 1.47 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 0.00 0.00 105 F 8.21 3.60 0.00 3.38 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 0.00 106 S 8.16 4.44 0.00 4.08 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 0.00 107 D 7.47 4.92 0.00 2.63 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 0.00 108 L 7.88 3.73 0.00 1.28 1.52 0.75 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 109 T 7.54 4.48 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 0.00 110 S 8.16 4.06 0.00 3.87 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 Q 7.85 4.13 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 7.13 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 112 L 7.67 4.04 0.00 1.82 1.76 1.10 1.11 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 0.00 113 H 7.73 4.08 0.00 3.31 3.34 0.00 5.87 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.68 3.82 1.90 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 1.52 0.78 0.97 0.00 0.00 115 T 8.33 4.80 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 1.28 0.00 0.00 116 P 0.00 4.54 0.00 2.08 2.21 0.00 3.71 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 2.05 2.18 0.00 117 G 8.13 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 0.00 118 T 8.27 4.37 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 1.24 0.00 0.00 119 A 8.46 3.98 1.73 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 0.00 120 Y 7.92 2.51 0.00 2.04 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 0.00 121 Q 7.99 3.82 0.00 2.22 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 122 S 8.20 4.03 0.00 4.14 3.97 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 0.00 123 F 8.31 4.25 0.00 3.19 2.87 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 0.00 124 E 8.14 3.63 0.00 1.16 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 0.00 2.20 2.33 0.00 125 Q 7.84 3.84 0.00 2.22 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 126 V 7.37 3.22 1.66 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 -0.26 0.00 0.00 0.72 0.00 0.00 127 V 7.14 3.24 1.36 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 -0.17 0.00 0.00 0.44 0.00 0.00 128 N 7.91 4.36 0.00 2.77 2.81 0.00 0.00 7.04 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 0.00 129 E 7.65 3.85 0.00 2.00 1.83 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 2.24 2.34 0.00 130 L 7.46 3.75 0.00 1.23 1.34 0.51 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 131 F 7.51 4.94 0.00 3.06 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 0.00 132 R 7.47 3.87 0.00 1.93 2.05 0.00 3.27 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 133 D 8.95 4.77 0.00 2.78 2.68 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 0.00 134 G 6.94 4.19 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 0.00 135 V 7.48 4.13 0.67 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 -0.54 0.00 0.00 0.46 0.00 0.00 136 N 7.56 4.46 0.00 3.03 2.80 0.00 0.00 6.22 8.88 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 0.00 137 W 8.85 4.45 0.00 3.73 3.18 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 0.00 138 G 8.47 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 0.00 0.00 0.00 139 R 8.93 3.89 0.00 1.89 1.65 0.00 2.99 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.58 0.00 140 I 7.81 3.99 2.22 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.54 1.31 0.00 0.00 141 V 8.03 3.62 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 0.96 0.00 0.00 1.05 0.00 0.00 142 A 8.16 3.36 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 0.00 143 F 8.31 4.17 0.00 3.33 3.41 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 0.00 144 F 8.31 3.56 0.00 2.59 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 0.00 145 S 8.36 4.60 0.00 4.21 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 F 9.14 4.52 0.00 3.05 3.31 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 0.00 147 G 8.34 3.63 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 0.00 0.00 0.00 148 G 8.56 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 0.00 0.00 0.00 149 A 8.40 4.13 1.46 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 0.00 150 L 7.74 3.80 0.00 1.54 1.58 0.87 0.62 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 0.00 151 C 7.94 3.94 0.00 3.19 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 0.00 152 V 7.89 3.62 2.29 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 1.21 0.00 0.00 1.08 0.00 0.00 153 E 8.31 3.92 0.00 2.29 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 0.00 2.32 2.41 0.00 154 S 7.94 4.03 0.00 3.95 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 V 7.41 3.31 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 0.18 0.00 0.00 0.20 0.00 0.00 156 D 7.89 4.51 0.00 2.89 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 0.00 157 K 8.22 4.29 0.00 1.92 1.84 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.48 7.81 158 E 8.13 3.81 0.00 2.08 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 0.00 2.23 2.27 0.00 159 M 8.22 4.56 0.00 2.00 2.10 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 2.54 2.49 0.00 160 Q 8.22 3.83 0.00 2.18 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.81 0.00 0.00 0.00 0.00 0.00 2.64 2.69 0.00 161 V 7.93 3.59 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 0.87 0.00 0.00 0.96 0.00 0.00 162 L 8.11 4.06 0.00 1.67 1.59 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 163 V 7.42 3.33 1.64 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 0.71 0.00 0.00 0.27 0.00 0.00 164 S 7.63 4.02 0.00 3.95 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 0.00 165 R 6.95 3.29 0.00 1.02 0.84 0.00 3.04 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.60 0.00 166 I 7.17 2.94 1.77 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.44 0.79 0.00 0.00 167 A 7.79 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 168 A 7.81 3.95 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 0.00 169 W 8.17 4.47 0.00 2.81 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 0.00 170 M 8.50 4.65 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.40 0.00 171 A 8.29 4.16 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.38 3.93 4.47 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 1.35 0.00 0.00 173 Y 8.76 4.07 0.00 3.50 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 L 8.67 3.90 0.00 2.22 1.91 1.28 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 175 N 8.04 4.36 0.00 2.92 2.88 0.00 0.00 7.11 8.09 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 0.00 176 D 7.90 4.43 0.00 2.35 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 0.00 177 H 7.71 4.55 0.00 1.69 2.50 0.00 5.61 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 L 7.35 4.24 0.00 1.61 1.41 0.16 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 179 E 8.17 3.94 0.00 2.20 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 180 P 0.00 4.17 0.00 2.15 2.04 0.00 3.55 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 2.02 2.09 0.00 181 W 8.03 3.93 0.00 3.23 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 0.00 182 I 7.80 3.18 1.92 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.42 0.66 0.00 0.00 183 Q 8.16 3.89 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.79 0.00 0.00 0.00 0.00 0.00 2.65 2.53 0.00 184 E 7.79 4.02 0.00 1.81 1.77 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 2.24 2.32 0.00 185 N 6.90 4.58 0.00 1.44 1.96 0.00 0.00 7.16 8.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 G 7.86 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 0.00 0.00 0.00 0.00 187 G 8.71 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 0.00 188 W 8.75 4.31 0.00 3.50 3.31 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 0.00 189 D 8.32 4.54 0.00 2.92 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 0.00 190 T 7.81 4.08 4.54 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 1.34 0.00 0.00 191 F 7.67 3.11 0.00 1.51 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 0.00 192 V 7.95 3.50 2.25 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 0.96 0.00 0.00 1.11 0.00 0.00 193 E 7.54 3.89 0.00 2.08 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 2.54 0.00 194 L 7.80 4.13 0.00 1.66 1.63 1.04 0.79 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 0.00 195 Y 7.86 4.47 0.00 1.57 2.44 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 0.00 196 G 7.78 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 * Residues marked with a * may have inaccurate shift predictions.