NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 42 G 4.0317 8.3544 109.7406 45.0755 0.0000 173.4616 43 Y 4.8085 8.5860 119.9273 57.5206 47.1943 175.2512 44 C 3.6726 8.9835 118.0425 59.7846 35.3344 175.4151 45 S 3.9764 8.0349 116.2291 61.9346 62.1998 176.9635 46 R 3.8059 7.7514 118.3503 59.0864 30.2016 178.5311 47 I 3.6656 7.1773 118.2508 64.1814 37.8559 178.0542 48 L 3.9946 8.1193 118.1783 56.6910 41.5997 178.1483 49 R 3.9944 7.1579 115.5718 55.3997 30.6566 177.6198 50 A 3.8933 7.6731 122.6474 54.7378 18.3652 179.0864 51 Q 4.5323 7.8463 111.6807 55.5853 29.3023 175.6170 52 G 4.0487 7.6572 105.6160 46.0787 0.0000 173.9163 53 T 4.7068 9.4049 120.0225 61.2304 70.7105 173.9728 54 R 3.2893 8.4858 127.9546 56.0936 30.7259 175.9598 55 R 4.4327 8.5147 127.1151 54.3509 31.3403 174.6535 56 E 4.1420 8.4679 124.7609 56.4554 30.9320 177.9068 57 G 3.7459 8.7775 106.7565 44.6047 0.0000 171.2446 58 Y 4.4299 8.2917 116.8709 56.8431 38.9483 174.9543 59 T 4.6679 8.3395 120.5774 61.6575 72.7788 173.8181 60 E 3.8426 8.3069 118.0915 57.8796 30.6024 176.1072 61 F 5.4583 7.3024 119.6936 55.9457 41.3476 175.2174 62 S 4.8924 9.2743 119.4313 56.6178 66.5361 172.5644 63 L 5.0796 9.2365 127.5262 53.6724 43.1972 175.6755 64 R 4.8074 9.0762 124.1825 54.5725 35.5261 173.9163 65 V 4.8433 8.0898 119.9879 60.8705 33.9841 174.8935 66 E 4.2198 9.1049 128.7993 58.1576 29.7336 177.6080 67 G 3.8568 8.7515 111.5953 44.4248 0.0000 172.3393 68 D 4.3160 7.9007 118.3616 54.4926 39.9128 171.7646 69 P 4.3750 0.0000 0.0000 62.9457 32.5154 177.0054 70 D 4.5057 8.2224 120.1674 56.6478 41.2367 175.8165 71 F 5.1201 7.0485 111.9324 56.0676 40.8499 172.8615 72 Y 4.9230 8.6752 117.8261 55.5076 40.2616 175.2025 73 K 4.7516 9.8829 121.4305 54.1747 34.2336 174.3617 74 P 5.0928 0.0000 0.0000 63.8891 31.5821 176.7892 75 G 3.8953 8.6225 111.0375 45.6319 0.0000 173.5786 76 T 4.2240 7.8124 117.5058 63.0262 69.8455 173.9439 77 S 4.9800 8.1811 119.9040 57.6183 64.6864 172.9189 78 Y 4.8466 9.0674 120.1636 56.2232 41.7352 174.6972 79 R 4.8892 8.9035 123.4740 55.4932 31.6010 174.8562 80 V 4.8869 9.0776 128.1920 61.7733 33.4463 174.7244 81 T 5.0590 9.0376 117.5802 59.7448 72.4435 172.6472 82 L 5.1185 8.7087 124.9060 53.4710 44.9130 175.3124 83 S 5.5312 9.1231 120.0011 56.7571 67.1796 172.4157 84 A 5.2550 8.8851 122.5948 50.0353 20.6563 176.8810 85 A 4.1237 8.8941 125.1888 51.0429 19.6603 175.6144 86 P 4.5985 0.0000 0.0000 62.3000 31.9808 174.3803 87 P 4.7363 0.0000 0.0000 62.8640 31.6580 175.8643 88 S 4.3810 8.0396 114.5734 59.1702 62.9938 171.6962 89 Y 5.2362 7.4126 119.9844 56.2948 40.9267 173.4280 90 F 5.2177 9.1146 114.2296 55.5515 41.5066 175.3748 91 R 5.0209 9.0202 117.6846 56.0491 32.6651 176.0769 92 G 4.7294 8.2133 104.6658 45.4055 0.0000 171.6435 93 F 5.5164 8.6915 115.0232 56.1102 41.8020 172.7708 94 T 4.6084 8.8288 108.5889 60.0138 72.6833 172.6417 95 L 5.1108 8.6957 123.8502 53.8641 45.8359 174.5596 96 I 5.2680 9.0350 125.0573 59.3669 42.1302 173.1667 97 A 5.3275 9.0551 128.6625 50.0664 21.1188 175.6539 98 L 5.0668 8.9750 121.9839 53.5862 44.8784 176.1869 99 R 4.4378 8.3088 119.5316 55.3345 31.1277 177.8624 100 E 4.4507 8.3737 126.9015 56.0540 27.2144 177.5755 *107 E 4.7519 7.8501 117.3835 56.6107 31.3702 174.9612 108 E 4.6028 8.3278 127.5932 55.4693 31.4315 174.9039 109 D 4.7924 8.5286 111.2408 54.7306 42.6201 176.0014 110 H 4.8032 8.2725 113.7700 55.2174 28.1113 175.5531 111 A 4.6992 7.5211 117.8494 51.6412 19.9934 177.4225 112 G 3.5624 8.2928 110.2899 45.8267 0.0000 172.8840 113 T 4.6519 7.4478 113.6983 61.7803 72.2080 174.2672 114 F 5.4197 9.0991 124.7168 57.3321 40.7514 174.8096 115 Q 4.8705 9.5511 122.3806 54.3808 32.2214 174.6470 116 I 4.1033 8.6337 127.5179 61.6049 38.0145 175.4526 117 I 4.0777 8.3969 125.5025 62.8174 38.2878 175.9200 118 D 4.8097 7.5645 124.4572 52.3028 40.3233 176.7079 119 E 4.2066 8.5392 125.1737 58.9414 29.8643 179.6699 120 E 4.2190 8.2242 117.3345 58.4136 29.9200 177.1160 121 E 4.8410 7.8251 117.3899 56.4489 32.5206 175.9994 122 T 5.3617 7.8691 107.7504 60.5677 72.4609 172.8689 123 Q 4.4284 8.5578 118.9907 55.1662 32.3796 173.3024 124 F 4.8745 8.3631 118.7506 57.6318 40.1040 175.0837 125 M 4.2692 9.0366 123.3250 54.7918 32.6503 177.5171 126 S 4.2493 8.7366 121.2014 61.3971 63.4269 175.4140 127 N 4.4995 8.0675 117.2491 55.9334 38.6912 176.0619 128 C 4.9769 7.8082 116.7007 55.1335 45.1295 172.1499 129 P 4.3843 0.0000 0.0000 64.1535 31.3809 177.9893 130 V 3.8792 7.8243 116.1839 62.8573 32.2427 175.8047 131 A 4.9349 8.2954 123.6721 50.8555 21.1208 176.1803 132 V 4.6500 8.4250 120.1258 61.8941 34.3697 174.5416 133 T 3.9886 8.4106 119.3874 60.8130 71.3627 172.2826 134 E 4.7345 7.5976 122.5014 56.3494 29.8245 177.3138 135 S 4.3582 8.7120 116.7190 61.2928 63.9314 174.3052 136 T 4.4383 7.4671 111.7159 59.7519 69.7991 170.6353 137 P 5.1774 0.0000 0.0000 62.6492 32.1211 175.6368 138 R 4.4318 8.0988 117.2866 55.3241 32.0935 173.6939 139 R 4.5248 8.5847 120.5237 56.5332 30.6427 176.2010 140 R 4.6061 8.8756 121.7835 54.9301 34.6085 175.6654 141 T 4.5760 8.2592 115.0559 63.6146 71.5965 173.8081 142 R 5.2757 7.6255 120.1876 55.1222 33.1783 173.7853 143 I 4.8712 8.9883 119.1374 59.1741 41.3653 174.0023 144 Q 5.0233 8.3012 119.2380 55.0931 31.8197 174.0821 145 V 4.4674 8.5613 112.6002 60.1264 36.9813 173.8946 146 F 5.4360 8.9065 120.8892 56.7912 40.9387 174.9260 147 W 5.2949 9.6969 132.3485 55.7928 33.6397 174.1374 148 I 4.4088 8.8198 129.3672 59.7183 37.8543 175.4360 149 A 2.5942 8.0745 130.0850 51.0357 19.6662 175.3087 150 P 4.5612 0.0000 0.0000 61.3747 33.4953 173.7567 151 P 4.7562 0.0000 0.0000 61.9670 32.5303 176.3709 152 A 4.2370 8.5430 124.7793 54.2819 18.6544 178.3859 153 G 4.0642 9.2632 110.4744 45.5598 0.0000 175.0681 154 T 3.9205 7.5301 116.2802 64.6156 68.7419 175.6068 155 G 3.9029 8.4935 108.7268 44.3417 0.0000 171.8651 156 C 4.8896 8.6061 115.3231 57.1740 41.9420 173.1814 157 V 4.9853 9.0499 122.6109 61.1774 34.3895 174.1153 158 I 4.7660 9.0160 128.0071 59.5533 39.7305 174.4172 159 L 4.9387 8.9230 127.7944 53.4721 43.6082 175.9707 160 K 5.0692 9.1800 122.1326 54.6303 36.2666 175.1436 161 A 5.4149 8.8448 126.2799 50.0818 21.8415 175.4026 162 S 5.0465 8.9992 115.0791 56.6649 66.8820 173.0788 163 I 5.0680 8.5446 120.8171 59.5022 41.4852 174.6536 164 V 4.8383 8.7260 125.3621 59.2967 33.5168 175.8454 165 Q 4.2668 9.0832 125.4931 57.2249 29.3430 175.1187 166 K 4.5816 7.3292 113.1752 56.0024 35.5120 176.5799 167 R 4.4365 7.8781 118.2514 57.8579 32.6359 177.1987 168 I 3.6415 7.5630 118.8352 61.1678 37.5380 174.5722 169 I 4.6146 7.9929 125.6632 59.9419 39.2247 174.0082 170 Y 5.1353 8.9393 126.0779 56.6869 40.0461 174.9600 171 F 5.2973 8.5759 117.1438 56.2178 42.2586 172.4826 172 Q 4.6528 8.4423 115.9069 56.1227 30.5026 173.6412 173 D 4.7504 9.4669 118.7658 55.2147 41.9741 177.0251 174 E 4.6374 8.6204 117.5994 55.3942 34.2828 173.8961 175 G 3.0420 8.3164 106.6700 44.3674 0.0000 174.7254 176 S 3.9977 7.7552 114.1343 60.1328 63.7061 175.1645 177 L 4.6703 8.1705 121.3241 54.8124 42.5552 175.8121 178 T 5.0740 7.5889 115.8534 61.6167 72.0757 173.4946 179 K 4.4339 9.1178 127.0784 54.6506 35.3880 174.5033 180 K 4.9471 8.7248 129.0567 55.0709 33.7924 175.4225 181 L 4.9370 8.9540 126.4916 53.3151 45.6105 175.2126 182 C 5.4496 8.7515 119.7155 54.7573 43.9387 173.2659 183 E 3.9562 8.2442 119.3157 55.6191 29.6402 177.0531 184 Q 3.1498 8.4038 122.0441 57.3029 29.3347 176.2377 185 D 4.6051 7.5943 123.7410 53.5615 40.2320 176.4468 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 42 G 8.35 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 43 Y 8.59 4.81 0.00 3.03 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 44 C 8.98 3.67 0.00 2.95 2.99 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 45 S 8.03 3.98 0.00 3.90 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 46 R 7.75 3.81 0.00 1.84 1.92 0.00 3.26 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 47 I 7.18 3.67 1.59 0.00 0.00 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 1.39 1.22 0.76 0.00 0.00 48 L 8.12 3.99 0.00 1.56 1.59 0.85 0.76 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 49 R 7.16 3.99 0.00 1.55 1.11 0.00 2.89 0.00 0.00 3.06 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.96 0.00 50 A 7.67 3.89 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 51 Q 7.85 4.53 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 52 G 7.66 4.05 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 0.00 0.00 0.00 53 T 9.40 4.71 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 1.24 0.00 0.00 54 R 8.49 3.29 0.00 1.35 1.63 0.00 3.09 0.00 0.00 3.06 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.17 0.00 55 R 8.51 4.43 0.00 1.91 1.78 0.00 3.06 0.00 0.00 3.03 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 56 E 8.47 4.14 0.00 1.94 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 2.20 2.19 0.00 57 G 8.78 3.75 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 0.00 0.00 0.00 58 Y 8.29 4.43 0.00 2.97 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 59 T 8.34 4.67 4.16 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 1.28 0.00 0.00 60 E 8.31 3.84 0.00 1.59 1.87 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 1.47 1.47 0.00 61 F 7.30 5.46 0.00 2.68 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 9.27 4.89 0.00 3.72 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 63 L 9.24 5.08 0.00 1.51 1.50 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 64 R 9.08 4.81 0.00 1.74 1.75 0.00 3.14 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 65 V 8.09 4.84 2.11 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 1.20 0.00 0.00 0.91 0.00 0.00 66 E 9.10 4.22 0.00 2.07 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 2.39 2.31 0.00 67 G 8.75 3.86 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 0.00 0.00 0.00 68 D 7.90 4.32 0.00 2.75 2.65 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 69 P 0.00 4.38 0.00 2.27 2.10 0.00 3.84 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 1.91 2.00 0.00 70 D 8.22 4.51 0.00 2.55 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 71 F 7.05 5.12 0.00 3.03 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 72 Y 8.68 4.92 0.00 3.08 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 73 K 9.88 4.75 0.00 1.90 1.93 0.00 1.84 0.00 0.00 1.89 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.75 1.70 7.81 74 P 0.00 5.09 0.00 2.10 2.29 0.00 3.88 0.00 0.00 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.28 0.00 75 G 8.62 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 76 T 7.81 4.22 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 0.61 0.00 0.00 77 S 8.18 4.98 0.00 3.61 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 78 Y 9.07 4.85 0.00 3.33 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 79 R 8.90 4.89 0.00 2.10 1.93 0.00 3.52 0.00 0.00 3.40 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.30 0.00 80 V 9.08 4.89 2.26 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 1.07 0.00 0.00 1.17 0.00 0.00 81 T 9.04 5.06 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 1.21 0.00 0.00 82 L 8.71 5.12 0.00 1.47 1.15 0.77 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 83 S 9.12 5.53 0.00 4.05 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 84 A 8.89 5.26 1.57 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 0.00 0.00 85 A 8.89 4.12 1.14 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 0.00 0.00 86 P 0.00 4.60 0.00 2.05 2.00 0.00 3.65 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 87 P 0.00 4.74 0.00 2.21 2.14 0.00 3.72 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 88 S 8.04 4.38 0.00 3.61 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 89 Y 7.41 5.24 0.00 3.03 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 90 F 9.11 5.22 0.00 3.11 2.85 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 91 R 9.02 5.02 0.00 1.85 2.06 0.00 3.34 0.00 0.00 3.33 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 92 G 8.21 4.73 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 93 F 8.69 5.52 0.00 3.05 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 94 T 8.83 4.61 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 1.05 0.00 0.00 95 L 8.70 5.11 0.00 1.80 1.27 0.63 0.85 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 96 I 9.04 5.27 1.92 0.00 0.00 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 1.29 1.68 0.95 0.00 0.00 97 A 9.06 5.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.97 5.07 0.00 1.74 1.87 0.96 0.76 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 99 R 8.31 4.44 0.00 1.83 1.95 0.00 3.33 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 100 E 8.37 4.45 0.00 2.17 1.96 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 2.35 2.33 0.00 *107 E 7.85 4.75 0.00 2.05 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 0.00 2.24 2.29 0.00 108 E 8.33 4.60 0.00 1.96 1.71 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 2.27 2.32 0.00 109 D 8.53 4.79 0.00 2.66 2.59 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 0.00 110 H 8.27 4.80 0.00 3.16 3.24 0.00 5.64 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 7.52 4.70 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 0.00 112 G 8.29 3.56 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 0.00 0.00 0.00 0.00 113 T 7.45 4.65 4.16 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 1.26 0.00 0.00 114 F 9.10 5.42 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 0.00 115 Q 9.55 4.87 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.00 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 116 I 8.63 4.10 1.81 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.50 0.86 0.00 0.00 117 I 8.40 4.08 1.72 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.23 0.83 0.00 0.00 118 D 7.56 4.81 0.00 2.65 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.54 4.21 0.00 2.03 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 2.40 2.32 0.00 120 E 8.22 4.22 0.00 1.95 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 2.31 2.33 0.00 121 E 7.83 4.84 0.00 2.05 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 2.20 2.34 0.00 122 T 7.87 5.36 4.34 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 1.37 0.00 0.00 123 Q 8.56 4.43 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.02 0.00 0.00 0.00 0.00 0.00 2.14 2.26 0.00 124 F 8.36 4.87 0.00 3.02 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 0.00 125 M 9.04 4.27 0.00 2.21 1.88 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.65 0.00 126 S 8.74 4.25 0.00 4.04 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 0.00 127 N 8.07 4.50 0.00 2.67 2.88 0.00 0.00 6.63 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 0.00 128 C 7.81 4.98 0.00 2.84 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 0.00 129 P 0.00 4.38 0.00 2.04 2.07 0.00 3.80 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 130 V 7.82 3.88 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 0.86 0.00 0.00 1.06 0.00 0.00 131 A 8.30 4.93 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 0.00 132 V 8.42 4.65 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 0.93 0.00 0.00 0.69 0.00 0.00 133 T 8.41 3.99 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 1.09 0.00 0.00 134 E 7.60 4.73 0.00 2.14 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 2.32 2.35 0.00 135 S 8.71 4.36 0.00 3.90 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 0.00 136 T 7.47 4.44 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 1.21 0.00 0.00 137 P 0.00 5.18 0.00 2.13 2.06 0.00 3.46 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.80 0.00 138 R 8.10 4.43 0.00 1.81 1.99 0.00 2.92 0.00 0.00 3.31 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.46 0.00 139 R 8.58 4.52 0.00 1.42 1.32 0.00 2.21 0.00 0.00 2.85 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.40 0.00 140 R 8.88 4.61 0.00 0.71 1.27 0.00 2.97 0.00 0.00 3.08 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.59 0.00 141 T 8.26 4.58 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 0.00 142 R 7.63 5.28 0.00 1.81 1.74 0.00 3.18 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 143 I 8.99 4.87 1.70 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.32 0.93 0.00 0.00 144 Q 8.30 5.02 0.00 1.87 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.82 0.00 0.00 0.00 0.00 0.00 2.14 2.30 0.00 145 V 8.56 4.47 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 0.59 0.00 0.00 0.95 0.00 0.00 146 F 8.91 5.44 0.00 3.27 3.01 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 0.00 147 W 9.70 5.29 0.00 3.50 3.21 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 0.00 148 I 8.82 4.41 1.63 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.73 0.72 0.00 0.00 149 A 8.07 2.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 P 0.00 4.56 0.00 2.11 2.21 0.00 2.68 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.91 0.00 151 P 0.00 4.76 0.00 2.10 2.01 0.00 3.60 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 152 A 8.54 4.24 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 0.00 153 G 9.26 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 0.00 154 T 7.53 3.92 4.45 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 1.36 0.00 0.00 155 G 8.49 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 0.00 156 C 8.61 4.89 0.00 2.96 3.10 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 0.00 0.00 0.00 157 V 9.05 4.99 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 0.88 0.00 0.00 1.04 0.00 0.00 158 I 9.02 4.77 1.86 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 1.24 0.90 0.89 0.00 0.00 159 L 8.92 4.94 0.00 1.58 1.49 -0.03 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 160 K 9.18 5.07 0.00 1.66 1.66 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.37 7.81 161 A 8.84 5.41 1.14 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 0.00 0.00 162 S 9.00 5.05 0.00 3.99 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 0.00 163 I 8.54 5.07 1.56 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.38 -0.16 0.00 0.00 164 V 8.73 4.84 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 1.20 0.00 0.00 1.01 0.00 0.00 165 Q 9.08 4.27 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.92 0.00 0.00 0.00 0.00 0.00 2.11 1.95 0.00 166 K 7.33 4.58 0.00 1.78 1.69 0.00 1.81 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.51 7.81 167 R 7.88 4.44 0.00 1.75 1.91 0.00 3.22 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 168 I 7.56 3.64 1.68 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.73 0.14 0.00 0.00 169 I 7.99 4.61 1.79 0.00 0.00 0.79 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 0.86 0.88 0.00 0.00 170 Y 8.94 5.14 0.00 2.88 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 0.00 171 F 8.58 5.30 0.00 3.07 3.07 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 0.00 172 Q 8.44 4.65 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.96 0.00 0.00 0.00 0.00 0.00 2.18 2.31 0.00 173 D 9.47 4.75 0.00 2.67 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 0.00 174 E 8.62 4.64 0.00 1.96 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 2.22 2.24 0.00 175 G 8.32 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 0.00 0.00 0.00 176 S 7.76 4.00 0.00 4.06 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 0.00 177 L 8.17 4.67 0.00 1.70 1.83 0.96 0.45 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 0.00 178 T 7.59 5.07 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 1.25 0.00 0.00 179 K 9.12 4.43 0.00 1.75 1.51 0.00 1.50 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.25 1.33 7.81 180 K 8.72 4.95 0.00 1.80 1.69 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.48 7.81 181 L 8.95 4.94 0.00 1.66 1.77 0.75 1.04 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 0.00 182 C 8.75 5.45 0.00 2.87 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 0.00 183 E 8.24 3.96 0.00 1.76 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 0.00 1.81 1.96 0.00 184 Q 8.40 3.15 0.00 0.93 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.66 0.00 0.00 0.00 0.00 0.00 1.80 1.16 0.00 185 D 7.59 4.61 0.00 2.61 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 * Residues marked with a * may have inaccurate shift predictions.