NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 70 E 4.3661 8.4293 120.2258 56.9700 30.0041 175.2753 71 T 4.4624 7.9181 117.6577 60.7234 69.7398 175.7081 72 I 3.6994 8.3116 127.4433 65.2930 37.9370 178.3199 73 A 3.9836 8.0960 121.4175 55.6321 18.0999 179.5567 74 S 4.0509 7.8766 112.7756 61.9196 62.7716 176.4145 75 E 3.9877 8.0301 121.3955 59.0372 29.4667 178.2672 76 L 3.9356 8.1365 118.7905 58.2101 41.7297 179.8795 77 K 3.8336 8.2782 117.7295 59.3221 31.9609 178.8798 78 A 4.1498 7.5283 119.1812 54.4186 19.0426 179.2940 79 I 3.7652 8.1230 117.5605 64.0169 37.8396 178.3044 80 G 3.5327 8.3231 107.3208 47.4475 0.0000 175.7780 81 K 3.8328 7.6382 121.7056 59.9816 32.4764 177.4328 82 E 3.9054 8.2128 121.0563 59.1513 29.4419 178.2096 83 L 4.0655 8.2450 120.3596 58.1394 40.6303 178.3093 84 E 4.1941 8.4903 119.8392 57.5862 29.6084 177.6017 85 D 4.4077 8.2373 119.0213 57.5095 41.4448 178.1659 86 Q 4.0169 8.1304 118.0458 59.3518 28.6618 179.6458 87 K 4.1768 7.9264 118.5309 59.4430 31.9477 179.6705 88 K 4.0075 7.5288 118.7263 59.4758 31.9632 179.2972 89 E 4.0265 8.3197 119.1114 58.9235 29.4678 179.0253 90 E 4.0853 8.6719 118.3599 59.3711 29.4125 178.8349 91 N 4.3842 8.1465 116.8426 56.4498 38.8853 177.0777 92 I 3.8345 7.4757 121.1609 64.4506 36.7785 178.2145 93 Q 3.9927 8.1940 118.7727 59.4890 28.2892 179.6819 94 I 3.9675 8.3294 119.7347 63.7624 37.4532 177.9840 95 A 4.1533 8.5425 122.7415 54.5812 18.2610 179.4663 96 K 3.8157 8.0185 116.9526 60.6356 32.6819 179.0633 97 I 3.1504 7.3375 120.3509 63.3192 36.3559 178.3212 98 A 3.9471 7.7806 121.6542 55.0847 18.0850 179.4874 99 K 4.0581 7.8567 115.6888 58.7988 32.5473 177.8360 100 E 4.2529 8.0915 116.5522 55.9559 30.2988 176.4601 101 K 3.9447 7.5944 118.1446 57.6044 30.2081 174.5351 102 F 5.1076 7.4586 105.0645 56.9054 38.9047 175.8205 103 D 4.6583 7.8497 122.4754 53.6595 39.8597 176.0739 104 F 4.4282 8.6109 119.7509 59.3588 38.2344 177.3453 105 L 3.5946 7.0156 119.6267 57.1718 41.0201 179.2503 106 S 4.3490 7.7243 113.5324 60.4888 62.9117 174.8584 107 T 4.5433 7.8643 109.7950 60.8185 69.9083 173.3508 108 F 4.4346 8.0365 125.6113 57.8328 39.1996 174.6797 109 K 4.4433 7.7637 127.4432 54.4487 34.3030 176.9691 110 V 3.2675 8.3024 122.7935 65.3727 31.7304 176.4220 111 G 3.7176 7.7600 107.0360 42.3976 0.0000 170.8894 112 P 3.8306 0.0000 0.0000 66.1911 31.9592 177.3283 *113 Y 4.5471 7.3148 119.6877 54.7681 36.8641 177.5848 114 D 4.7897 7.4603 121.5913 52.9780 42.8596 177.2962 115 L 4.1661 8.1372 123.1448 55.3458 41.4438 176.4408 116 I 4.2890 8.0928 121.3884 59.6427 39.0572 174.4773 117 D 4.7113 8.4544 126.0898 52.3545 42.0756 176.0790 118 E 3.9861 9.1658 125.5236 59.8504 29.4377 178.2713 119 D 4.5735 8.3083 118.1736 56.7864 41.2266 178.0525 120 I 4.2140 8.6083 120.2768 64.5597 37.3391 178.3372 121 Q 4.2698 8.3246 120.3387 55.9714 28.3714 178.6288 *123 K 4.2535 8.2708 118.3167 56.6928 34.3874 178.5713 124 I 3.6651 7.5396 119.5290 64.3875 36.7999 178.7146 125 K 3.1831 8.2003 119.5501 58.9219 31.2798 179.3704 126 R 3.9101 7.8123 117.9784 59.8998 30.0566 178.7907 127 T 3.9811 7.7294 112.0768 64.5378 67.1764 176.6458 128 L 3.8780 7.6769 121.0832 57.9093 41.7550 178.9579 129 Y 4.2133 7.7577 116.7520 60.6920 37.5381 178.8537 130 S 3.7109 7.4638 115.3603 61.6066 62.9146 176.6670 131 S 4.2829 7.6618 115.0429 60.1377 62.6430 174.9622 132 L 4.6242 7.1022 121.5855 55.1764 41.9013 176.4808 133 D 4.8025 9.1009 116.0309 55.8778 38.8449 173.6306 134 Y 3.4881 7.6274 114.2506 58.7352 36.3172 172.2399 135 K 4.3280 9.0770 121.7378 56.2982 32.5602 177.5714 136 K 4.2699 7.8053 126.6712 58.9778 33.1656 176.4944 137 E 3.8656 8.1501 119.3111 59.7173 29.5303 178.6078 138 N 4.4197 8.3001 116.1029 56.1963 38.5231 177.5672 139 I 3.8855 7.8153 121.0263 64.3252 37.2888 178.0173 140 E 3.8856 8.2308 119.3784 59.4638 29.3393 179.5252 141 K 4.0613 8.1123 118.4009 59.3118 32.0471 179.1299 142 L 3.7366 8.0106 120.6547 57.9493 41.9620 178.7966 143 K 2.9377 7.5073 119.4443 59.2959 31.8699 178.4927 144 E 3.8594 7.9288 118.6272 59.3636 29.4776 179.4383 145 I 3.4837 7.2228 119.7404 64.1243 37.1100 178.4233 146 L 4.0021 7.8474 119.7688 57.7973 41.2980 178.8335 147 E 3.9978 8.1273 117.9603 59.7890 29.8220 178.5838 148 I 3.8831 7.8561 119.3681 64.6003 37.0218 178.2721 149 L 4.2355 7.9935 118.6055 57.0084 41.3222 179.4425 150 K 4.3755 7.9416 118.1241 59.1690 31.9657 178.7092 151 K 4.0545 7.4855 117.8081 57.7067 32.4155 176.5210 152 N 4.7415 7.3718 116.8776 51.4364 40.3434 175.6934 153 S 2.7900 8.2547 120.8936 60.9402 62.7562 175.9613 154 E 4.0609 8.0563 120.2185 58.2664 29.5672 177.3922 155 H 4.8589 7.8560 115.6448 55.9606 29.3480 176.2702 156 Y 4.4899 7.6970 120.1387 61.3429 37.8002 177.8236 157 N 4.2872 8.3665 117.0880 57.0672 38.9508 176.3936 158 I 3.7425 7.8646 119.2180 64.2385 37.9853 177.7308 159 I 3.8877 8.0112 120.8799 64.1947 36.5846 178.6523 160 G 3.6856 8.1513 106.6970 47.8389 0.0000 175.7848 161 R 4.1104 8.1015 120.6456 59.1227 30.2349 178.9526 162 L 3.9765 7.7307 119.9781 58.1651 42.2747 179.0826 163 I 3.5719 7.9328 119.8903 64.5488 36.9784 176.2222 164 Y 4.6800 8.9047 117.1156 59.1897 38.4583 176.9660 165 H 4.1767 8.4201 123.8804 59.6622 30.4200 175.9027 166 I 4.2715 7.7537 119.3996 63.3089 36.9436 178.0143 167 S 4.1272 8.2126 115.2459 61.1724 62.8074 176.7907 168 W 4.3740 8.0455 129.9072 60.3208 30.6542 178.2310 169 G 3.7081 8.6698 105.9751 47.9910 0.0000 175.3701 170 I 3.6217 7.7220 120.5148 64.1485 38.1983 178.1415 171 Q 3.9550 7.4456 118.8816 58.5304 28.3488 178.2341 172 F 3.8517 8.0454 122.3050 61.2160 39.2114 177.2453 173 Q 3.8311 7.8890 117.5336 59.1024 28.5585 178.8158 174 I 3.6802 7.5858 120.6105 64.0818 36.9087 178.2118 175 E 3.8083 7.7374 120.1062 59.1993 29.5291 178.5307 176 Q 3.7933 7.5165 119.5182 58.9286 28.8654 178.0321 177 N 4.2431 8.0658 117.6371 56.2484 38.6702 177.1018 178 L 3.9303 7.6985 120.3799 57.8746 41.6665 179.2218 179 E 3.8455 8.4218 119.1644 59.4737 29.4122 178.5939 180 L 3.8986 7.5677 117.5112 58.1985 41.9148 179.7021 181 I 3.8634 7.5399 119.3636 64.4844 36.9903 178.2413 182 Q 3.9279 7.8356 118.7853 59.0263 28.8601 177.4179 183 N 4.6470 8.3309 117.0862 53.0646 38.9736 175.0121 184 G 4.3197 7.7820 109.3130 46.6712 0.0000 175.2408 185 V 3.7745 8.3412 119.6308 63.7402 32.1450 177.7230 186 E 4.0942 8.2425 118.0221 59.4820 29.4787 178.7396 187 N 4.8065 7.7156 112.3585 53.0456 37.9133 174.2190 188 L 4.8750 7.8530 120.2812 52.7125 44.8917 176.4734 189 S 4.4328 8.8471 120.3140 58.0326 63.7442 174.9219 190 Q 4.0537 8.4423 118.2118 58.8954 28.8019 177.4080 191 E 4.0366 8.0596 120.7323 59.1562 29.8246 178.2627 192 E 3.9213 8.3690 118.7262 59.8670 29.3278 179.5474 193 S 4.1413 7.9981 114.7875 61.5746 62.5569 177.3432 194 K 4.0133 7.6610 119.8758 59.6003 32.0435 178.8699 195 S 4.2007 8.1118 113.3043 61.8103 63.0382 175.9406 196 L 4.0742 7.9980 122.3705 58.2688 41.7754 179.4509 197 L 3.9085 7.2913 115.1625 56.4871 42.4197 178.3891 *199 Q 4.2659 8.1790 117.3176 55.8502 30.8414 177.4976 200 I 3.6717 8.2236 118.8196 64.4401 37.1109 178.4720 201 K 3.9180 8.0489 119.1351 59.6969 31.8503 179.4463 202 S 4.1337 8.0176 114.6816 61.6898 62.7314 176.3094 203 N 4.3144 7.9961 118.6339 56.4576 38.1343 177.4576 204 L 4.0324 7.7828 118.4428 56.8813 41.9670 178.9488 205 E 4.0792 8.1007 119.9922 59.1856 29.5930 178.5494 206 I 3.6522 8.1462 120.2099 64.5878 36.7339 178.4107 207 K 3.7937 8.1950 119.3822 59.5582 31.8035 178.8521 208 Q 3.9919 7.9456 119.4451 59.0267 29.1641 177.6943 209 R 3.9262 8.0577 118.6351 59.4259 30.0634 178.4500 210 L 3.9036 8.1652 119.9021 58.0525 41.9634 178.8884 211 K 3.9024 7.5938 118.4335 59.3280 31.9812 178.6355 212 K 3.9612 8.5677 120.1315 59.9399 32.1972 178.4424 213 T 3.8573 8.4878 116.2278 66.9926 68.3944 176.0419 214 L 3.9728 8.0968 120.2893 58.3496 41.6902 179.5548 215 N 4.3250 7.9333 116.0416 56.3789 38.4230 177.0822 216 E 3.9518 7.9678 120.7196 59.3280 29.6419 178.9619 217 T 3.8413 7.8920 115.8295 66.7268 68.5636 176.2907 218 L 4.0264 8.5312 121.0824 57.9985 41.5864 179.8154 219 K 3.9354 8.2101 118.1966 59.4698 32.0291 179.3193 220 V 3.5827 8.0935 118.6966 66.3000 31.4905 177.2552 221 Y 4.1896 8.2333 119.1527 60.9308 38.5532 177.8988 222 N 4.1969 8.6901 117.6867 56.4632 38.6434 177.2101 223 Q 3.9319 8.3819 121.0458 58.9944 28.9593 178.1600 224 N 4.2557 7.9700 117.6729 56.6406 38.8670 177.1975 225 T 3.6631 7.5608 116.9564 67.1753 68.6105 176.1051 226 Q 3.9134 8.1602 119.5911 59.0736 28.6958 178.3274 227 D 4.3859 8.3512 119.5855 57.6700 40.9572 178.7057 228 N 4.1991 8.3045 117.3093 56.7782 38.8570 175.9678 229 E 3.7919 7.8573 120.0145 59.5425 29.5335 178.4596 230 K 3.7815 7.8682 118.6540 59.8453 32.1926 178.1459 231 I 3.7022 8.0918 119.9201 64.7805 37.1533 178.1214 232 L 4.0761 8.4226 119.3384 57.9535 41.4665 179.6321 233 A 3.9321 8.2649 120.7572 55.0419 18.4610 179.1031 234 E 3.8730 8.5115 118.2065 59.7383 29.6084 178.4367 235 H 4.1974 8.3466 118.0217 59.4421 29.8991 176.8016 236 F 4.1512 8.7643 119.4985 61.1421 38.6862 177.6871 237 N 3.9101 8.3738 114.0972 55.7750 38.2756 177.3659 238 K 3.8148 7.5264 120.2952 59.5266 32.4225 177.8555 239 Y 4.5232 7.3799 116.1393 58.4419 38.3441 176.0724 240 Y 4.7378 7.9140 115.9702 57.5537 38.4111 176.2888 241 K 3.9771 8.0625 122.6312 59.1976 32.5500 175.4480 242 D 4.4721 8.3892 115.8874 53.0973 44.5266 175.4237 243 F 4.4866 8.5958 118.0840 60.7463 38.8803 177.4174 244 D 4.5678 8.1538 118.6352 56.2876 40.9625 177.0449 245 T 4.1589 7.7001 108.5376 62.3773 69.4126 174.9969 246 L 4.2524 7.3317 122.6030 54.1868 42.3122 176.8654 247 K 4.2543 8.2045 119.4987 55.5328 31.2412 175.7751 248 P 4.3316 0.0000 0.0000 62.8394 31.7905 177.4187 249 A 3.8117 8.2493 122.5145 53.8750 18.7601 177.9190 250 F 4.5410 7.2805 118.1413 57.7174 39.9790 174.5588 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 70 E 8.43 4.37 0.00 1.97 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 2.21 2.30 0.00 71 T 7.92 4.46 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 1.21 0.00 0.00 72 I 8.31 3.70 1.86 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 1.57 0.55 0.90 0.00 0.00 73 A 8.10 3.98 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 74 S 7.88 4.05 0.00 3.88 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 75 E 8.03 3.99 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 2.37 2.39 0.00 76 L 8.14 3.94 0.00 1.71 1.71 0.96 0.89 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 77 K 8.28 3.83 0.00 1.91 1.87 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.77 7.81 78 A 7.53 4.15 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 79 I 8.12 3.77 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.32 0.95 0.00 0.00 80 G 8.32 3.53 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 0.00 0.00 0.00 81 K 7.64 3.83 0.00 1.87 1.98 0.00 1.68 0.00 0.00 1.62 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.70 7.81 82 E 8.21 3.91 0.00 2.16 2.13 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 2.35 2.32 0.00 83 L 8.24 4.07 0.00 1.87 1.91 0.95 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.49 4.19 0.00 2.08 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 0.00 2.29 2.38 0.00 85 D 8.24 4.41 0.00 2.89 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 86 Q 8.13 4.02 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.64 0.00 87 K 7.93 4.18 0.00 1.78 1.86 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.73 1.62 7.81 88 K 7.53 4.01 0.00 1.88 1.85 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.52 7.81 89 E 8.32 4.03 0.00 1.97 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 2.29 2.41 0.00 90 E 8.67 4.09 0.00 2.39 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 2.55 2.46 0.00 91 N 8.15 4.38 0.00 2.89 2.95 0.00 0.00 7.06 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 I 7.48 3.83 2.08 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.79 0.88 0.00 0.00 93 Q 8.19 3.99 0.00 1.64 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.82 0.00 0.00 0.00 0.00 0.00 2.03 2.46 0.00 94 I 8.33 3.97 2.21 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.93 0.99 0.00 0.00 95 A 8.54 4.15 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 96 K 8.02 3.82 0.00 2.01 2.09 0.00 1.52 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.71 1.59 7.81 97 I 7.34 3.15 1.62 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.93 -0.34 0.00 0.00 98 A 7.78 3.95 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.86 4.06 0.00 1.76 1.86 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.48 7.81 100 E 8.09 4.25 0.00 2.31 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 2.44 2.64 0.00 101 K 7.59 3.94 0.00 1.92 1.88 0.00 1.68 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.60 1.48 7.81 102 F 7.46 5.11 0.00 3.18 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 0.00 103 D 7.85 4.66 0.00 2.50 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 0.00 104 F 8.61 4.43 0.00 3.35 3.27 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 0.00 105 L 7.02 3.59 0.00 1.23 1.39 -0.02 0.14 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 0.00 106 S 7.72 4.35 0.00 3.99 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 0.00 107 T 7.86 4.54 4.31 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 1.26 0.00 0.00 108 F 8.04 4.43 0.00 3.22 2.96 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 0.00 109 K 7.76 4.44 0.00 1.62 1.58 0.00 1.83 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.27 1.30 7.81 110 V 8.30 3.27 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 0.40 0.00 0.00 0.98 0.00 0.00 111 G 7.76 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 0.00 112 P 0.00 3.83 0.00 2.17 2.15 0.00 3.65 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 *113 Y 7.31 4.55 0.00 2.34 2.16 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 0.00 114 D 7.46 4.79 0.00 2.54 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 0.00 115 L 8.14 4.17 0.00 1.70 1.60 0.85 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 116 I 8.09 4.29 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 1.29 0.66 0.92 0.00 0.00 117 D 8.45 4.71 0.00 2.70 2.50 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 0.00 118 E 9.17 3.99 0.00 2.13 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 0.00 2.30 2.39 0.00 119 D 8.31 4.57 0.00 2.91 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 0.00 120 I 8.61 4.21 2.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.95 0.84 0.00 0.00 121 Q 8.32 4.27 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.39 0.00 0.00 0.00 0.00 0.00 2.67 2.49 0.00 *123 K 8.27 4.25 0.00 2.21 1.91 0.00 1.34 0.00 0.00 1.62 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.46 1.77 7.81 124 I 7.54 3.67 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.22 0.75 0.00 0.00 125 K 8.20 3.18 0.00 1.69 1.65 0.00 1.85 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.07 1.61 7.81 126 R 7.81 3.91 0.00 2.10 1.99 0.00 3.12 0.00 0.00 3.58 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 0.00 127 T 7.73 3.98 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 128 L 7.68 3.88 0.00 1.39 1.42 0.69 0.51 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 0.00 129 Y 7.76 4.21 0.00 2.81 2.46 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 0.00 130 S 7.46 3.71 0.00 4.18 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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180 L 7.57 3.90 0.00 1.82 1.73 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 181 I 7.54 3.86 2.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.72 0.89 0.00 0.00 182 Q 7.84 3.93 0.00 2.03 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 183 N 8.33 4.65 0.00 2.69 2.98 0.00 0.00 7.42 7.52 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 0.00 184 G 7.78 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.34 3.77 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 0.92 0.00 0.00 186 E 8.24 4.09 0.00 2.10 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 0.00 2.35 2.27 0.00 187 N 7.72 4.81 0.00 2.90 2.87 0.00 0.00 6.76 7.73 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 0.00 188 L 7.85 4.88 0.00 1.71 1.48 0.91 0.83 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 0.00 189 S 8.85 4.43 0.00 4.04 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 Q 8.44 4.05 0.00 2.41 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 7.09 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 191 E 8.06 4.04 0.00 2.09 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 2.37 2.46 0.00 192 E 8.37 3.92 0.00 2.02 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 2.33 2.36 0.00 193 S 8.00 4.14 0.00 4.08 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 0.00 194 K 7.66 4.01 0.00 1.88 1.85 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.80 7.81 195 S 8.11 4.20 0.00 3.93 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 0.00 196 L 8.00 4.07 0.00 1.82 1.68 0.90 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 197 L 7.29 3.91 0.00 1.79 1.76 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 *199 Q 8.18 4.27 0.00 2.48 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.67 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 200 I 8.22 3.67 2.03 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.88 0.89 0.00 0.00 201 K 8.05 3.92 0.00 1.80 1.86 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.59 7.81 202 S 8.02 4.13 0.00 3.85 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 0.00 203 N 8.00 4.31 0.00 2.95 2.84 0.00 0.00 7.08 6.02 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 0.00 204 L 7.78 4.03 0.00 1.60 1.73 0.91 0.84 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 0.00 205 E 8.10 4.08 0.00 2.27 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 0.00 2.30 2.34 0.00 206 I 8.15 3.65 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 1.53 0.62 0.91 0.00 0.00 207 K 8.19 3.79 0.00 2.04 1.91 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.48 7.81 208 Q 7.95 3.99 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 209 R 8.06 3.93 0.00 1.95 2.00 0.00 3.19 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.72 0.00 210 L 8.17 3.90 0.00 1.73 1.80 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 211 K 7.59 3.90 0.00 1.91 1.94 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.66 7.81 212 K 8.57 3.96 0.00 1.91 1.91 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.49 7.81 213 T 8.49 3.86 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 214 L 8.10 3.97 0.00 1.69 1.74 0.89 0.58 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 0.00 215 N 7.93 4.33 0.00 3.00 2.88 0.00 0.00 6.67 7.55 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 0.00 216 E 7.97 3.95 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 217 T 7.89 3.84 4.32 0.00 0.00 0.00 0.00 0.00 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 0.00 218 L 8.53 4.03 0.00 1.82 1.79 0.96 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 219 K 8.21 3.94 0.00 2.03 1.88 0.00 1.58 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.51 7.81 220 V 8.09 3.58 2.28 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 1.03 0.00 0.00 1.04 0.00 0.00 221 Y 8.23 4.19 0.00 2.99 3.08 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 0.00 0.00 0.00 0.00 222 N 8.69 4.20 0.00 3.00 2.84 0.00 0.00 6.70 7.58 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 0.00 223 Q 8.38 3.93 0.00 2.14 2.26 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 2.35 2.43 0.00 224 N 7.97 4.26 0.00 2.91 2.77 0.00 0.00 6.89 7.09 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 0.00 225 T 7.56 3.66 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 1.06 0.00 0.00 226 Q 8.16 3.91 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.71 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 227 D 8.35 4.39 0.00 2.69 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 0.00 228 N 8.30 4.20 0.00 2.90 2.89 0.00 0.00 6.81 7.84 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 0.00 229 E 7.86 3.79 0.00 2.30 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 2.25 2.29 0.00 230 K 7.87 3.78 0.00 1.88 1.96 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.50 7.81 231 I 8.09 3.70 2.15 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 1.54 0.39 0.94 0.00 0.00 232 L 8.42 4.08 0.00 1.97 1.66 1.01 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 233 A 8.26 3.93 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 0.00 234 E 8.51 3.87 0.00 2.05 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 0.00 2.36 2.36 0.00 235 H 8.35 4.20 0.00 3.45 3.70 0.00 5.86 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 236 F 8.76 4.15 0.00 3.42 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 237 N 8.37 3.91 0.00 2.82 2.89 0.00 0.00 7.09 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 0.00 238 K 7.53 3.81 0.00 1.62 1.49 0.00 1.52 0.00 0.00 1.22 0.00 0.00 2.54 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.30 1.01 7.81 239 Y 7.38 4.52 0.00 1.98 2.28 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 0.00 240 Y 7.91 4.74 0.00 2.97 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 0.00 241 K 8.06 3.98 0.00 1.69 1.81 0.00 1.79 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.37 7.81 242 D 8.39 4.47 0.00 2.60 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 0.00 0.00 0.00 0.00 243 F 8.60 4.49 0.00 3.19 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 0.00 244 D 8.15 4.57 0.00 2.70 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 0.00 245 T 7.70 4.16 4.33 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 1.15 0.00 0.00 246 L 7.33 4.25 0.00 1.82 1.70 1.20 0.98 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 0.00 247 K 8.20 4.25 0.00 1.66 1.69 0.00 1.47 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.08 7.81 248 P 0.00 4.33 0.00 2.31 2.01 0.00 3.61 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 249 A 8.25 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 250 F 7.28 4.54 0.00 3.02 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 * Residues marked with a * may have inaccurate shift predictions.