NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 G 3.8026 8.3431 109.7362 43.9597 0.0000 173.3591 9 G 3.9573 7.7801 111.7651 45.3184 0.0000 174.4604 10 G 3.6975 8.7231 105.7940 47.0113 0.0000 173.8196 11 G 3.6054 7.9625 106.6976 47.5699 0.0000 175.4849 12 I 3.8878 7.5751 121.6468 64.1961 37.3878 178.2514 13 L 3.9848 8.0998 119.9751 57.9497 41.2329 179.1639 14 D 4.4125 8.2267 117.2233 56.8501 41.1934 177.8254 15 S 4.3492 7.7371 113.4297 59.5426 63.6305 174.6208 16 M 4.1999 6.9412 121.6681 54.7608 32.6231 176.1644 17 V 3.5353 8.0988 121.1551 63.0016 32.0766 175.1904 *140 E 4.3741 8.3506 125.4186 56.3450 30.4692 176.7206 141 K 4.2943 8.3298 121.6136 55.6514 30.4723 176.4457 142 L 4.4848 8.2631 119.1446 53.9594 42.4605 177.2777 143 G 4.0534 8.8376 106.7078 44.5771 0.0000 172.3167 144 K 5.2480 8.8346 116.2265 55.0701 36.5341 175.0958 145 L 5.3433 9.1613 123.2920 53.5087 45.4634 174.6248 146 Q 4.6715 9.0666 127.8269 54.5461 30.7396 173.8304 147 Y 5.4372 8.4328 123.6222 55.4812 41.9355 173.8673 148 S 5.0164 9.2443 113.8620 56.8531 67.0962 172.6086 149 L 5.1692 8.9467 122.0539 54.1608 46.0147 174.1281 150 D 5.0977 9.2664 123.9929 53.4965 45.4229 173.0761 151 Y 4.3008 9.0022 127.3198 56.4080 40.4785 173.9113 152 D 4.6879 8.1383 127.8379 52.9890 40.2437 176.6161 153 F 4.4588 8.5596 125.7952 59.8382 39.5670 177.5470 154 Q 4.1816 8.4689 119.2795 58.5680 28.5819 176.6958 155 N 4.6284 8.2215 111.8068 52.2161 39.8857 174.1312 156 N 4.3416 8.6038 115.4187 52.6556 36.2843 173.2078 157 Q 4.7507 6.2077 115.1365 54.6549 32.9811 174.9003 158 L 4.5725 9.0202 124.3094 54.3881 43.8305 175.0619 159 L 5.2603 9.0704 126.7400 53.0705 44.3766 175.5351 160 V 5.0029 9.1700 123.5619 61.1027 34.8586 174.1329 161 G 4.4417 9.2594 115.5350 43.9970 0.0000 172.4354 162 I 4.5839 9.0267 128.1575 60.5915 37.9359 176.4914 163 I 4.1698 8.7937 129.0836 62.2468 37.8214 176.0365 164 Q 5.1213 7.5129 116.7033 55.6522 31.5486 171.7357 165 A 5.6757 9.0080 121.1030 50.4686 23.0240 174.9251 166 A 4.8237 9.0310 119.6951 50.8391 23.3902 176.2037 167 E 3.9070 9.4937 117.5976 57.2475 27.7391 175.2555 168 L 4.3257 7.7525 117.6984 54.0138 42.3677 175.7622 169 P 4.4450 0.0000 0.0000 62.2039 32.3361 175.5775 170 A 4.4178 8.3878 123.0451 51.5432 19.0434 177.3908 171 L 4.5414 8.5488 122.4773 55.2627 43.0165 177.1389 172 D 4.6415 8.1545 117.1353 55.1539 42.6968 176.8045 *175 G 3.8056 7.7096 105.5460 45.4054 0.0000 171.5496 176 T 4.7838 7.9984 109.8498 59.7217 72.7460 173.5719 177 S 4.9394 8.5256 118.8168 58.0243 65.5624 173.2848 178 D 5.8500 9.5200 120.4805 51.2046 40.4019 173.8266 179 P 5.3882 0.0000 0.0000 63.0035 33.3725 175.7968 180 Y 5.5255 9.0383 119.2729 55.8105 42.3344 173.5711 181 V 4.7580 8.7295 119.7773 61.0682 34.5777 174.2862 182 K 5.0264 9.1850 127.5813 55.2759 34.3530 175.7786 183 V 4.8441 8.8215 124.2560 61.2771 34.8734 174.1639 184 F 5.1422 8.0865 120.6984 56.4784 41.5537 172.4166 185 L 4.9528 8.3582 118.6653 53.0310 44.2655 175.6839 186 L 5.0665 8.7948 122.6602 52.4228 44.4540 175.4776 187 P 4.5336 0.0000 0.0000 62.7423 31.8994 175.8899 188 D 4.2865 6.9335 120.1649 55.4669 41.0838 176.5764 189 K 4.3789 8.4486 122.9583 56.0034 32.3098 176.4689 190 K 4.1834 7.6631 116.1706 55.5788 32.5979 176.9302 191 K 3.9508 8.2406 120.6598 56.5070 32.5129 177.3293 192 K 4.0861 8.1341 122.6113 56.3495 32.8914 176.9073 193 F 4.9113 8.5453 122.3977 57.4937 40.4934 174.5547 194 E 5.3686 8.5281 119.5524 54.9521 33.4527 175.5151 195 T 5.0152 8.7583 114.2098 60.3192 70.2113 174.4717 196 K 4.1609 9.3881 122.0472 56.4399 32.5950 177.0477 197 V 4.3182 8.0258 121.2569 62.9674 32.5079 174.8639 198 H 4.7926 9.2963 125.3916 54.0548 30.4072 174.3513 199 R 4.1897 8.6749 123.3025 56.4791 30.6345 177.2731 200 K 4.1731 9.0980 121.7336 55.9024 30.0506 174.7962 201 T 4.6455 8.1906 110.5794 60.9942 71.1878 173.0978 202 L 4.6114 8.5523 126.1068 55.1114 42.9230 175.9533 203 N 5.7829 8.2350 115.5376 50.6158 38.3717 172.7751 204 P 4.2213 0.0000 0.0000 62.5030 33.7070 177.3334 205 V 4.2021 7.8209 121.9119 61.6843 32.1855 175.1076 206 F 4.3259 8.8781 127.2785 58.9934 39.5912 176.5950 207 N 4.1948 7.9265 113.4399 54.8305 36.5225 173.5000 208 E 4.7536 8.3864 116.2854 54.4754 33.9040 176.6778 209 Q 4.7995 8.0500 122.1009 54.3544 32.1238 174.3892 210 F 4.6725 9.3048 123.1478 55.8358 43.4269 173.9272 211 T 5.0518 7.9770 116.7769 61.8035 71.7862 173.3683 212 F 4.8716 9.4018 125.1989 55.5884 41.6483 175.0461 213 K 4.5093 8.9239 124.7472 56.0412 31.7536 175.2141 214 V 4.5131 8.0532 123.1673 60.8558 34.6335 173.1377 215 P 4.5420 0.0000 0.0000 62.6123 32.3463 176.3877 216 Y 3.3252 8.9501 122.8994 60.9412 38.3132 179.0227 217 S 4.1207 8.2054 112.8745 61.0987 62.9659 175.2939 218 E 4.2582 7.7409 119.9186 57.0702 29.8950 177.6256 219 L 4.0474 7.5345 121.3995 57.6561 41.8471 178.7012 220 G 3.5731 7.8653 107.0463 48.0522 0.0000 173.9931 221 G 3.8114 7.8613 105.8439 45.5894 0.0000 173.3238 222 K 4.7121 7.9190 120.0982 55.2591 35.2150 175.5011 223 T 4.9188 8.6348 117.8586 61.7451 72.4382 173.0744 224 L 4.3576 8.7076 129.1926 54.2278 43.7563 175.3356 225 V 4.2861 8.0587 126.3622 61.0104 34.4515 173.9523 226 M 4.9387 7.7702 126.1433 53.2582 35.2745 174.3865 227 A 4.9582 8.8259 124.9763 50.0793 22.7403 174.5765 228 V 4.5638 8.7159 123.4833 61.7696 33.4239 174.5331 229 Y 4.9272 8.6703 124.9071 56.1424 42.0612 174.2529 230 D 5.3360 8.9637 121.8445 52.4822 42.0969 175.8554 231 F 4.2091 9.5275 130.2450 58.4949 40.0484 174.3686 232 D 4.4850 7.0482 124.4303 52.4482 44.4030 175.7028 233 R 3.4983 8.1331 123.4463 57.8678 30.2771 176.6927 234 F 4.8924 7.5683 113.2476 57.2824 39.9905 174.4343 235 S 4.6784 7.5264 115.6360 56.3710 66.9574 173.5376 236 K 3.9059 8.4895 120.4891 57.8331 32.4053 176.1273 237 H 4.6901 8.6160 118.7169 55.6805 29.3902 174.9282 238 D 4.6430 8.8452 124.0774 54.1114 42.0488 175.6052 239 I 3.5727 8.3040 123.5019 61.2863 38.3549 175.3561 240 I 4.0103 8.5430 131.1432 62.2928 37.8085 176.0122 241 G 4.1056 7.4411 106.5690 46.3526 0.0000 170.8096 242 E 5.3272 8.6511 117.5298 55.6300 33.6572 173.7002 243 F 5.1522 8.2441 113.6577 56.0457 41.5940 173.0648 244 K 4.8019 8.6917 117.9330 54.5990 35.7603 176.6188 245 V 4.2926 8.7209 123.1821 60.1578 33.4535 172.6862 246 P 4.5337 0.0000 0.0000 62.5241 31.7196 178.0489 247 M 4.2764 8.8426 123.0497 57.8502 32.0656 177.7672 248 N 4.6561 8.1532 114.4774 54.0869 37.8839 175.4072 249 T 4.4997 7.5962 108.3333 61.3181 69.3048 173.8763 250 V 3.7844 7.2693 121.6952 61.9539 32.3345 175.5240 251 D 4.5532 8.1368 126.3480 53.1125 40.1210 175.7823 252 F 4.7598 8.3686 124.9737 57.2415 40.1973 176.3446 253 G 4.2679 9.9268 110.5608 45.6596 0.0000 173.6412 254 H 4.9464 7.7308 115.0536 53.4697 32.4357 173.1280 255 V 3.9800 8.5027 123.6861 63.5419 32.0910 175.1549 256 T 4.5130 8.9644 125.2228 62.4966 70.3805 173.6843 257 E 4.8058 8.3651 126.2973 54.8977 32.7008 173.6494 258 E 4.6670 8.2207 123.5371 55.1546 33.6196 173.7667 259 W 5.1568 8.6849 120.4528 55.7582 30.7157 176.1304 260 R 4.5389 8.9885 123.1317 54.0385 32.9941 174.7138 261 D 4.8502 8.6360 123.9431 54.1829 41.5661 176.1724 262 L 4.3722 8.8273 124.5071 54.9932 42.4131 176.6133 263 Q 4.6747 9.1320 122.8462 53.9882 31.2709 175.2390 264 S 4.4214 8.7322 116.6535 58.6447 63.3341 173.9871 265 A 4.3117 8.3957 127.2855 52.3129 19.0318 176.7614 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 8 G 8.34 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 9 G 7.78 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 10 G 8.72 3.70 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 0.00 0.00 0.00 11 G 7.96 3.61 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 0.00 0.00 0.00 12 I 7.58 3.89 2.00 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 1.64 0.98 0.91 0.00 0.00 13 L 8.10 3.98 0.00 1.83 1.72 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.23 4.41 0.00 2.76 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 15 S 7.74 4.35 0.00 4.09 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 16 M 6.94 4.20 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.47 0.00 17 V 8.10 3.54 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 1.01 0.00 0.00 0.93 0.00 0.00 *140 E 8.35 4.37 0.00 2.03 1.91 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 2.21 2.30 0.00 141 K 8.33 4.29 0.00 1.74 1.77 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.39 7.81 142 L 8.26 4.48 0.00 1.77 1.66 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 143 G 8.84 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 0.00 144 K 8.83 5.25 0.00 2.14 1.92 0.00 0.61 0.00 0.00 0.85 0.00 0.00 2.51 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.23 1.44 7.81 145 L 9.16 5.34 0.00 2.01 1.86 1.17 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 146 Q 9.07 4.67 0.00 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.43 0.00 0.00 0.00 0.00 0.00 1.69 1.20 0.00 147 Y 8.43 5.44 0.00 3.26 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 0.00 148 S 9.24 5.02 0.00 3.88 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 0.00 149 L 8.95 5.17 0.00 2.04 1.64 1.16 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 150 D 9.27 5.10 0.00 2.91 2.51 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 0.00 151 Y 9.00 4.30 0.00 2.49 2.31 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 0.00 152 D 8.14 4.69 0.00 2.49 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 0.00 153 F 8.56 4.46 0.00 3.16 3.14 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 0.00 154 Q 8.47 4.18 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 155 N 8.22 4.63 0.00 2.78 2.79 0.00 0.00 7.11 7.99 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 0.00 156 N 8.60 4.34 0.00 3.00 3.00 0.00 0.00 6.75 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 0.00 157 Q 6.21 4.75 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.02 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 158 L 9.02 4.57 0.00 1.95 1.80 1.19 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 159 L 9.07 5.26 0.00 1.72 1.70 0.94 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 160 V 9.17 5.00 2.48 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 1.24 0.00 0.00 1.25 0.00 0.00 161 G 9.26 4.44 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 0.00 162 I 9.03 4.58 2.07 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.26 0.78 0.00 0.00 163 I 8.79 4.17 1.87 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.62 0.92 0.00 0.00 164 Q 7.51 5.12 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 165 A 9.01 5.68 1.55 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 0.00 166 A 9.03 4.82 1.20 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 0.00 0.00 167 E 9.49 3.91 0.00 2.17 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 2.19 2.20 0.00 168 L 7.75 4.33 0.00 1.71 1.66 1.05 1.16 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 0.00 169 P 0.00 4.45 0.00 2.19 2.06 0.00 3.79 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 170 A 8.39 4.42 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 0.00 171 L 8.55 4.54 0.00 1.88 1.76 0.94 1.15 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 0.00 172 D 8.15 4.64 0.00 2.95 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 *175 G 7.71 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 T 8.00 4.78 4.28 0.00 0.00 0.00 0.00 0.00 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 0.00 177 S 8.53 4.94 0.00 3.89 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 0.00 178 D 9.52 5.85 0.00 2.96 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 0.00 179 P 0.00 5.39 0.00 2.49 2.36 0.00 4.08 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.19 0.00 180 Y 9.04 5.53 0.00 3.25 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 0.00 181 V 8.73 4.76 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 0.99 0.00 0.00 0.28 0.00 0.00 182 K 9.19 5.03 0.00 1.99 1.91 0.00 1.63 0.00 0.00 1.47 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.53 1.41 7.81 183 V 8.82 4.84 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 1.10 0.00 0.00 0.70 0.00 0.00 184 F 8.09 5.14 0.00 3.03 2.95 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 0.00 185 L 8.36 4.95 0.00 1.49 1.43 0.70 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 186 L 8.79 5.07 0.00 1.48 1.54 0.94 1.09 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 0.00 187 P 0.00 4.53 0.00 2.16 2.14 0.00 3.78 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 1.95 1.96 0.00 188 D 6.93 4.29 0.00 2.92 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 0.00 189 K 8.45 4.38 0.00 1.68 1.75 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.39 7.81 190 K 7.66 4.18 0.00 1.72 1.65 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.46 7.81 191 K 8.24 3.95 0.00 1.68 1.69 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.42 7.81 192 K 8.13 4.09 0.00 1.48 1.67 0.00 1.31 0.00 0.00 0.89 0.00 0.00 2.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.62 1.04 7.81 193 F 8.55 4.91 0.00 2.61 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 0.00 0.00 0.00 0.00 194 E 8.53 5.37 0.00 1.86 1.94 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 2.36 2.36 0.00 195 T 8.76 5.02 4.61 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 1.24 0.00 0.00 196 K 9.39 4.16 0.00 1.85 1.80 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.60 7.81 197 V 8.03 4.32 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 0.77 0.00 0.00 0.45 0.00 0.00 198 H 9.30 4.79 0.00 3.13 3.20 0.00 5.67 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 R 8.67 4.19 0.00 1.71 1.90 0.00 3.57 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 200 K 9.10 4.17 0.00 1.83 1.84 0.00 1.70 0.00 0.00 1.53 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.52 7.81 201 T 8.19 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 1.27 0.00 0.00 202 L 8.55 4.61 0.00 1.76 1.83 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 203 N 8.24 5.78 0.00 2.57 2.73 0.00 0.00 6.99 7.30 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 0.00 204 P 0.00 4.22 0.00 0.80 1.87 0.00 3.82 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 1.84 1.97 0.00 205 V 7.82 4.20 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 0.82 0.00 0.00 0.91 0.00 0.00 206 F 8.88 4.33 0.00 3.25 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 0.00 207 N 7.93 4.19 0.00 2.85 2.84 0.00 0.00 6.90 7.18 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 0.00 208 E 8.39 4.75 0.00 1.94 1.39 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 2.19 2.54 0.00 209 Q 8.05 4.80 0.00 1.90 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.77 0.00 0.00 0.00 0.00 0.00 2.10 2.46 0.00 210 F 9.30 4.67 0.00 2.95 2.42 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 0.00 211 T 7.98 5.05 4.10 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 1.20 0.00 0.00 212 F 9.40 4.87 0.00 2.99 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 0.00 213 K 8.92 4.51 0.00 1.81 1.89 0.00 1.55 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.50 7.81 214 V 8.05 4.51 2.18 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 0.79 0.00 0.00 1.04 0.00 0.00 215 P 0.00 4.54 0.00 2.25 2.02 0.00 3.85 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 216 Y 8.95 3.33 0.00 2.52 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 0.00 217 S 8.21 4.12 0.00 4.07 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 0.00 218 E 7.74 4.26 0.00 2.05 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 2.27 2.28 0.00 219 L 7.53 4.05 0.00 1.40 1.14 0.84 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 220 G 7.87 3.57 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 0.00 221 G 7.86 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 222 K 7.92 4.71 0.00 1.72 1.72 0.00 1.53 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.46 7.81 223 T 8.63 4.92 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 1.15 0.00 0.00 224 L 8.71 4.36 0.00 1.54 1.46 0.62 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 225 V 8.06 4.29 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 0.62 0.00 0.00 0.58 0.00 0.00 226 M 7.77 4.94 0.00 1.58 0.71 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.20 0.00 227 A 8.83 4.96 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 0.00 228 V 8.72 4.56 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 1.01 0.00 0.00 1.00 0.00 0.00 229 Y 8.67 4.93 0.00 1.81 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 0.00 230 D 8.96 5.34 0.00 2.70 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 0.00 231 F 9.53 4.21 0.00 3.17 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 0.00 232 D 7.05 4.48 0.00 2.62 2.39 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 0.00 233 R 8.13 3.50 0.00 1.50 0.72 0.00 2.89 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.36 0.00 234 F 7.57 4.89 0.00 3.07 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 0.00 235 S 7.53 4.68 0.00 3.83 3.76 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 0.00 236 K 8.49 3.91 0.00 1.89 1.85 0.00 1.60 0.00 0.00 1.75 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.52 7.81 237 H 8.62 4.69 0.00 3.15 3.59 0.00 5.72 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 238 D 8.85 4.64 0.00 2.66 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 0.00 239 I 8.30 3.57 1.52 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 1.05 0.39 0.82 0.00 0.00 240 I 8.54 4.01 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.68 0.93 0.00 0.00 241 G 7.44 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 0.00 0.00 0.00 242 E 8.65 5.33 0.00 2.02 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 2.15 2.27 0.00 243 F 8.24 5.15 0.00 3.17 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 0.00 244 K 8.69 4.80 0.00 1.57 1.60 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.65 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.15 1.44 7.81 245 V 8.72 4.29 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 1.13 0.00 0.00 0.89 0.00 0.00 246 P 0.00 4.53 0.00 2.28 1.95 0.00 3.66 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 247 M 8.84 4.28 0.00 2.17 2.37 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.66 0.00 248 N 8.15 4.66 0.00 2.82 3.16 0.00 0.00 5.85 7.71 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 0.00 249 T 7.60 4.50 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 0.00 250 V 7.27 3.78 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 -0.24 0.00 0.00 0.90 0.00 0.00 251 D 8.14 4.55 0.00 2.63 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 0.00 252 F 8.37 4.76 0.00 3.38 3.20 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 0.00 253 G 9.93 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 0.00 0.00 0.00 0.00 254 H 7.73 4.95 0.00 3.13 3.18 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 255 V 8.50 3.98 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 0.82 0.00 0.00 0.98 0.00 0.00 256 T 8.96 4.51 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 1.12 0.00 0.00 257 E 8.37 4.81 0.00 1.79 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 0.00 1.98 2.09 0.00 258 E 8.22 4.67 0.00 2.03 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 1.84 2.19 0.00 259 W 8.68 5.16 0.00 3.14 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 0.00 260 R 8.99 4.54 0.00 0.67 0.66 0.00 3.15 0.00 0.00 3.46 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.33 0.00 261 D 8.64 4.85 0.00 2.51 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 262 L 8.83 4.37 0.00 1.57 1.67 1.04 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 263 Q 9.13 4.67 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.96 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 264 S 8.73 4.42 0.00 4.04 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 0.00 265 A 8.40 4.31 1.17 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.