NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.4128 8.3493 120.1556 53.3109 41.3454 173.9473 6 Y 4.4668 6.7327 118.2180 55.3961 40.1481 173.2467 7 D 4.3697 9.6548 123.1073 56.7596 42.6165 177.6880 8 Y 5.1713 8.0143 114.0074 55.9936 42.4948 174.8202 9 L 5.0268 8.8392 123.3990 53.7006 44.1465 175.2861 10 I 4.4576 8.4505 127.6831 59.5287 39.7790 175.1135 11 K 4.9178 8.4851 124.7182 54.7577 34.0966 175.4731 12 L 4.9268 8.5991 124.7892 52.9543 45.5183 175.4232 13 L 5.2587 8.3195 121.5207 53.7685 46.0877 174.1931 14 A 5.3601 9.5805 128.1788 49.3294 21.3045 175.4937 15 L 5.1706 8.7986 121.5170 52.2203 44.1585 175.6480 16 G 3.7158 6.9003 106.0317 42.8903 0.0000 172.3013 17 D 5.0141 8.5421 120.0018 54.2273 41.4092 176.0107 18 S 4.4549 8.6593 116.0297 59.4190 63.0003 174.0783 19 G 3.9797 9.3162 116.0132 45.5887 0.0000 175.4491 20 V 3.6971 6.9476 111.5650 63.1468 31.7735 177.0899 21 G 4.1790 8.3743 108.8600 45.3399 0.0000 175.3895 22 K 3.7778 7.7004 116.9591 60.1020 32.1378 178.1774 23 T 4.2861 7.8837 115.9403 66.7349 68.7963 176.4793 24 T 3.9173 8.0370 116.6314 66.7444 68.6808 176.2176 25 F 4.3473 8.8049 122.7358 60.9419 39.2805 177.1689 26 L 4.0037 7.8686 118.5593 57.6112 41.7880 178.3745 27 Y 4.2100 8.1059 118.7803 60.4859 38.5093 178.2412 28 R 4.0149 7.8050 120.6778 59.1876 30.0978 177.9083 29 Y 3.9572 7.0816 116.4528 60.5029 38.7023 177.8203 30 T 3.9476 7.6419 115.8905 65.4418 69.0554 175.4052 31 D 4.4381 7.3804 116.3266 52.8824 42.1482 175.6034 32 N 4.0759 7.8421 117.1988 54.0490 37.7295 171.5685 33 K 4.6425 6.9188 116.8776 55.4450 36.9524 175.1380 34 F 4.8227 8.6208 120.4580 56.8563 41.9915 173.0573 35 N 4.7889 7.9468 125.5913 51.0368 40.8766 172.4233 36 P 4.2495 0.0000 0.0000 64.3235 31.9073 177.1159 37 K 4.1004 7.6860 118.4991 56.5204 32.3708 177.1911 38 F 4.9471 8.5709 125.9476 56.2547 38.7026 174.4252 39 I 3.8956 7.2723 118.3234 58.7468 36.6507 174.4835 40 T 3.4101 5.9859 119.1975 60.8223 68.7141 173.0388 41 T 3.7961 8.3677 126.1019 63.5740 69.0053 174.5867 42 V 3.2906 8.0648 126.2647 62.2010 32.4009 176.8176 43 G 3.5122 7.4523 121.6100 45.0606 0.0000 173.2543 44 I 4.7240 8.2434 114.9283 58.8271 41.7770 174.9267 45 D 4.7155 7.6383 119.8493 53.9650 45.0068 175.1906 46 F 5.3415 8.2434 119.4293 55.1248 41.0941 173.9616 47 R 4.6786 8.6467 119.1223 54.4802 33.5021 174.5068 48 E 5.1194 8.6157 120.6062 54.4977 32.3634 175.4740 49 K 4.4926 8.4506 124.3102 54.7922 36.0288 174.8984 50 R 4.8072 8.5642 126.3501 55.3796 31.2098 175.8393 51 V 4.4541 9.1154 123.3043 61.1015 35.8227 174.5185 52 V 4.7533 8.2710 123.9832 60.9970 32.1677 173.8066 53 Y 4.3441 8.5891 128.8118 57.4735 39.4130 175.3878 54 D 4.4307 8.4455 127.5228 58.1785 41.2976 178.8589 55 T 3.4826 6.6545 113.0758 64.7317 68.9669 173.3743 *66 F 4.6277 7.9158 120.7548 57.2853 41.0559 173.8478 67 K 4.8840 9.4391 124.0000 55.1987 33.7537 175.7651 68 V 4.7716 9.2100 125.9899 61.6422 34.1963 174.0191 69 H 4.9160 9.1728 127.2596 54.4459 31.7140 172.7459 70 L 4.9200 8.3957 126.5736 53.5915 43.9563 175.9469 71 Q 4.2840 8.5646 124.1750 54.2776 31.0966 174.1839 72 L 4.6217 8.7911 128.1916 53.1202 42.5537 176.0186 73 W 4.6304 9.6837 126.7569 56.4365 30.4853 175.1581 74 D 5.2375 9.8405 126.5807 53.0330 41.9753 175.5729 75 T 4.7812 8.3583 117.0384 60.6017 71.3573 173.5523 76 A 4.6316 8.3406 125.0541 51.3088 19.2303 178.1305 77 G 3.8872 9.0991 112.1269 48.4262 0.0000 174.5840 78 L 4.0061 8.3375 120.3064 55.1322 41.8944 177.8177 79 E 4.3558 8.9245 120.9071 57.3223 29.2618 177.1993 80 R 3.9430 8.0013 119.3283 58.0402 30.3571 176.9983 81 F 4.9073 7.8898 113.9144 56.9132 40.0447 176.5979 82 R 4.1749 8.2376 121.9651 60.0586 29.3666 177.8670 83 S 4.1104 8.1344 112.9963 61.9935 63.0246 176.4827 84 L 4.2257 8.0076 121.9722 58.2255 41.7786 178.6748 85 T 3.9958 8.8363 114.5937 65.1203 67.4367 176.0158 86 T 3.1639 8.3385 110.5502 62.8142 68.7582 175.7068 87 A 4.1886 7.5338 122.5271 53.5152 18.6247 177.9974 88 F 4.3357 8.0641 115.6080 57.0115 39.9135 177.2945 89 F 4.3385 8.6487 118.7183 60.4892 38.4474 177.4498 90 R 4.1958 8.0696 113.7693 58.7414 29.6623 176.9575 91 D 4.4175 8.0415 116.5112 54.7842 41.0849 175.7192 92 A 4.4574 7.4681 122.7617 50.1968 21.7683 175.9686 *94 G 3.6746 8.1716 101.8526 46.3256 0.0000 172.2705 95 F 5.3303 9.5817 121.4100 55.5455 42.8040 174.6177 96 L 4.9431 8.8701 123.7176 53.1630 41.7359 174.7725 97 L 4.2764 8.2379 125.4726 54.0891 43.9836 175.3130 *99 F 4.9942 8.4127 119.2662 56.8763 39.9816 172.6867 100 D 4.9816 8.8373 119.5180 52.9514 41.3726 176.3572 101 L 4.3579 9.0938 127.0344 56.8453 42.7140 178.1315 102 T 4.7206 7.6387 110.0485 57.9698 67.8259 176.4766 103 S 6.2300 7.1759 121.0339 57.7289 64.2283 176.7338 104 Q 4.2194 9.0290 128.7300 57.8267 28.5728 177.2608 105 Q 4.0837 7.6161 118.7773 59.3729 29.3854 177.5447 106 S 4.5307 8.1141 114.9569 61.6166 63.2181 175.9416 107 F 3.8205 8.5394 124.5484 60.9738 38.7438 176.8819 108 L 4.0292 7.7976 116.0183 56.8472 41.8846 178.1711 109 N 4.5893 8.3379 115.9011 53.7875 38.5801 176.9968 110 V 3.8542 7.1921 119.9715 66.0856 31.6101 177.1708 111 R 4.1393 7.9253 116.7699 59.8433 29.6936 177.6046 112 N 4.4454 7.9665 115.7810 55.8707 38.3973 176.4113 113 W 4.3528 7.7993 119.6910 57.1296 29.0866 178.0811 *115 S 4.5964 8.0746 115.6628 58.3247 64.5536 175.3749 116 Q 4.0747 7.8176 121.2733 59.0352 28.7075 177.1955 117 L 4.3508 9.3691 121.9452 58.5068 41.9481 178.7975 118 Q 3.9252 7.9915 117.1614 57.8521 28.8707 177.6431 119 A 4.6114 7.5302 119.7994 51.8914 20.0611 176.5144 120 N 4.8160 7.8736 111.4687 52.3231 40.6974 174.3102 121 A 4.8548 8.3392 121.4673 50.5247 19.6830 177.2722 122 Y 4.2899 9.0618 117.2155 59.5152 38.2701 175.8405 123 C 4.5441 6.1616 117.7688 56.4615 34.4314 173.3428 124 E 4.0188 8.6753 123.4085 59.0642 29.1990 177.7255 125 N 4.7618 7.5825 116.7478 50.6358 38.3432 172.1890 126 P 4.6698 0.0000 0.0000 61.2523 33.6054 175.9685 127 D 4.6926 8.6818 118.0331 54.4913 41.3122 176.0551 128 I 5.2135 8.3866 123.3714 59.7641 41.7363 175.8480 129 V 4.4607 8.5430 123.9848 61.6611 34.3290 173.4835 130 L 4.7309 9.0147 131.7363 55.4544 43.2409 175.7620 131 I 4.8865 8.8798 126.2152 59.4439 40.8577 175.0959 132 G 3.2904 9.3546 115.2607 44.4753 0.0000 172.1286 133 N 5.6107 8.1210 125.4383 51.8289 41.0889 173.2702 134 K 4.0875 8.5829 120.2728 57.3028 28.1589 175.7183 135 A 4.6093 7.7977 117.6448 51.9850 19.9612 177.4343 136 D 4.8142 7.9010 116.0899 54.2744 40.5845 176.4355 137 L 4.9735 7.2468 118.7148 52.5712 42.5686 174.7917 138 P 4.2811 0.0000 0.0000 65.7902 32.0730 178.9750 139 D 4.3454 8.1894 116.4497 57.0378 40.7313 177.2312 140 Q 4.2603 8.1039 116.0723 55.6385 29.3907 174.5452 141 R 4.1395 7.8216 118.9502 57.0472 29.2358 175.3541 142 E 4.4674 8.7210 122.2977 55.5741 30.2517 175.5479 143 V 4.5478 7.3007 119.1860 59.9812 33.0616 174.6773 144 N 4.2778 8.3356 126.2532 53.4652 39.0826 175.1059 145 E 3.9992 8.8174 126.0483 59.2687 29.4697 178.4372 146 R 4.0894 8.0178 116.4934 57.6988 30.2215 178.2769 147 Q 3.9777 7.8245 118.4208 58.2002 29.1312 177.5496 148 A 4.0676 7.6629 121.2308 55.5438 18.4333 179.8396 149 R 3.8050 7.4211 115.6330 59.0354 29.9029 179.3640 150 E 3.8576 7.4618 118.4976 59.2366 29.4521 178.8226 151 L 3.5357 7.9055 120.1208 58.0614 42.0612 178.5587 152 A 4.0477 7.9435 120.6700 55.5299 17.7109 179.2926 153 E 3.8995 7.9535 117.0398 59.1118 29.5516 178.6160 154 K 3.8391 8.0012 119.0921 59.1848 32.0644 177.2358 155 Y 4.9191 7.7048 115.1875 57.4261 39.0963 176.5038 156 G 4.0154 7.9171 105.8021 45.6682 0.0000 172.6041 157 I 4.6807 8.0646 119.8159 58.2924 39.5141 174.3845 158 P 4.5996 0.0000 0.0000 62.9330 32.5270 174.5562 159 Y 6.1189 8.4713 123.6041 55.2234 41.6432 174.5655 160 F 4.3423 7.9809 122.2637 55.6423 44.0107 173.2409 161 E 5.0348 8.5174 121.7810 55.1238 30.5288 175.4514 162 T 5.5054 9.2998 115.5079 58.8561 72.6462 173.1945 163 S 4.9859 8.5246 116.6432 56.4289 64.4846 174.2062 164 A 4.0968 8.8938 131.2228 55.1425 18.5860 178.7160 165 A 3.3518 8.1054 118.2194 55.0869 18.6174 178.7891 166 T 3.9699 7.6893 104.6056 62.3303 69.4591 176.1576 167 G 3.8286 9.5120 110.5151 45.0135 0.0000 172.2637 168 Q 4.0200 8.0128 121.5244 57.1105 29.0269 176.0068 169 N 4.4690 8.9485 122.7896 54.5936 36.5408 177.0170 170 V 3.7947 7.6518 120.2666 66.2696 31.5236 176.9546 171 E 4.1848 8.2767 118.2468 58.7591 29.4967 178.6359 172 K 3.8955 7.9269 118.8954 59.8643 32.5430 178.5192 173 S 2.7900 7.5098 113.5231 60.9097 62.8705 176.2400 174 V 3.3383 6.9985 121.6560 65.7052 31.3286 177.9199 175 E 4.1518 8.5344 118.1275 59.3901 29.1898 179.6673 176 T 3.9259 7.4356 115.9584 66.2135 68.3338 176.4996 177 L 3.8725 7.5891 122.0687 58.2096 42.0130 178.7529 178 L 3.8142 7.9535 119.0538 57.9804 41.8778 178.0512 179 D 4.3677 7.6168 116.9633 56.9001 41.4084 177.9384 180 L 4.1483 7.7924 118.4521 57.1406 41.8807 177.7299 181 I 4.0380 7.3221 119.9482 61.6296 38.0879 177.7312 *183 K 4.1060 8.0503 122.2520 56.4860 33.6588 175.7709 184 R 4.1352 7.8206 119.2253 56.6446 29.6686 177.1422 *186 E 4.2650 8.1936 112.5595 55.3916 31.1657 175.5544 187 K 4.4690 7.7363 118.2222 56.5501 32.3137 176.3496 188 C 4.3467 7.9325 119.9127 58.3094 29.7842 173.4118 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 5 D 8.35 4.41 0.00 2.61 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 6 Y 6.73 4.47 0.00 3.31 2.90 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 7 D 9.65 4.37 0.00 2.22 2.24 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 8 Y 8.01 5.17 0.00 3.05 2.78 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 0.00 0.00 0.00 0.00 9 L 8.84 5.03 0.00 1.69 1.65 0.86 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.45 4.46 1.79 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 1.20 0.62 0.79 0.00 0.00 11 K 8.49 4.92 0.00 1.57 1.92 0.00 1.71 0.00 0.00 2.01 0.00 0.00 3.29 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.43 7.81 12 L 8.60 4.93 0.00 1.51 1.44 0.77 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.32 5.26 0.00 1.77 1.32 0.89 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 14 A 9.58 5.36 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 15 L 8.80 5.17 0.00 0.96 1.25 0.72 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 16 G 6.90 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 17 D 8.54 5.01 0.00 3.06 2.83 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 18 S 8.66 4.45 0.00 4.02 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 19 G 9.32 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 6.95 3.70 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.94 0.00 0.00 21 G 8.37 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 7.70 3.78 0.00 1.79 1.87 0.00 1.87 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.57 7.81 23 T 7.88 4.29 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 1.22 0.00 0.00 24 T 8.04 3.92 4.37 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 1.16 0.00 0.00 25 F 8.80 4.35 0.00 3.17 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 26 L 7.87 4.00 0.00 1.99 1.71 0.98 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.11 4.21 0.00 2.96 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 7.80 4.01 0.00 2.17 2.04 0.00 3.24 0.00 0.00 3.53 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.51 0.00 29 Y 7.08 3.96 0.00 2.65 2.92 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 0.00 30 T 7.64 3.95 4.08 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 1.12 0.00 0.00 31 D 7.38 4.44 0.00 1.71 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 0.00 0.00 0.00 32 N 7.84 4.08 0.00 2.62 2.66 0.00 0.00 6.88 6.29 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 33 K 6.92 4.64 0.00 1.66 1.74 0.00 1.64 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.41 1.53 7.81 34 F 8.62 4.82 0.00 2.93 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 35 N 7.95 4.79 0.00 2.56 2.39 0.00 0.00 7.21 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.25 0.00 2.10 2.20 0.00 3.68 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 2.14 2.35 0.00 37 K 7.69 4.10 0.00 1.62 1.71 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.43 7.81 38 F 8.57 4.95 0.00 2.87 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 7.27 3.90 1.72 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.95 0.79 0.00 0.00 40 T 5.99 3.41 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 1.16 0.00 0.00 41 T 8.37 3.80 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 1.17 0.00 0.00 42 V 8.06 3.29 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 0.69 0.00 0.00 0.84 0.00 0.00 43 G 7.45 3.51 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 0.00 0.00 0.00 44 I 8.24 4.72 1.70 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 0.36 0.32 0.14 0.00 0.00 45 D 7.64 4.72 0.00 2.81 2.47 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 46 F 8.24 5.34 0.00 2.29 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 0.00 0.00 0.00 47 R 8.65 4.68 0.00 1.76 1.81 0.00 3.14 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 48 E 8.62 5.12 0.00 1.79 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 2.24 2.40 0.00 49 K 8.45 4.49 0.00 1.70 1.56 0.00 1.15 0.00 0.00 1.36 0.00 0.00 2.13 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.18 1.21 7.81 50 R 8.56 4.81 0.00 1.73 1.86 0.00 3.27 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 51 V 9.12 4.45 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 1.04 0.00 0.00 0.96 0.00 0.00 52 V 8.27 4.75 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 0.89 0.00 0.00 0.96 0.00 0.00 53 Y 8.59 4.34 0.00 2.96 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 54 D 8.45 4.43 0.00 2.50 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 55 T 6.65 3.48 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 1.22 0.00 0.00 *66 F 7.92 4.63 0.00 3.29 3.32 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 67 K 9.44 4.88 0.00 1.77 1.82 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.39 7.81 68 V 9.21 4.77 2.17 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 0.84 0.00 0.00 1.12 0.00 0.00 69 H 9.17 4.92 0.00 2.09 2.23 0.00 5.82 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 8.40 4.92 0.00 1.72 1.49 1.01 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 8.56 4.28 0.00 1.86 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.65 4.34 0.00 3.33 3.25 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 90 R 8.07 4.20 0.00 1.97 2.23 0.00 2.90 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 91 D 8.04 4.42 0.00 2.39 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 A 7.47 4.46 0.81 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 *94 G 8.17 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 95 F 9.58 5.33 0.00 2.91 2.81 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 96 L 8.87 4.94 0.00 1.60 1.58 1.11 0.60 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 97 L 8.24 4.28 0.00 1.94 1.62 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 107 F 8.54 3.82 0.00 2.96 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 0.00 108 L 7.80 4.03 0.00 1.68 1.71 0.95 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 109 N 8.34 4.59 0.00 3.15 2.89 0.00 0.00 6.44 7.65 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 0.00 110 V 7.19 3.85 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 0.90 0.00 0.00 1.04 0.00 0.00 111 R 7.93 4.14 0.00 1.81 1.93 0.00 3.28 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 112 N 7.97 4.45 0.00 2.72 2.47 0.00 0.00 7.17 7.95 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 0.00 113 W 7.80 4.35 0.00 3.71 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 S 8.07 4.60 0.00 3.97 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 0.00 116 Q 7.82 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0.00 2.32 2.28 0.00 141 R 7.82 4.14 0.00 1.76 2.10 0.00 3.49 0.00 0.00 3.31 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 142 E 8.72 4.47 0.00 2.11 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 2.29 2.22 0.00 143 V 7.30 4.55 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 0.19 0.00 0.00 0.96 0.00 0.00 144 N 8.34 4.28 0.00 2.73 2.52 0.00 0.00 6.82 7.65 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 0.00 145 E 8.82 4.00 0.00 2.05 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 2.56 2.52 0.00 146 R 8.02 4.09 0.00 1.82 1.91 0.00 3.31 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 147 Q 7.82 3.98 0.00 1.92 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.23 0.00 148 A 7.66 4.07 0.66 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 0.00 0.00 0.00 0.00 0.00 149 R 7.42 3.81 0.00 1.82 1.98 0.00 3.14 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.87 0.00 150 E 7.46 3.86 0.00 1.99 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 2.28 2.55 0.00 151 L 7.91 3.54 0.00 1.48 1.60 0.49 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 152 A 7.94 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 153 E 7.95 3.90 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 2.29 2.31 0.00 154 K 8.00 3.84 0.00 1.56 1.53 0.00 1.64 0.00 0.00 1.30 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.41 7.81 155 Y 7.70 4.92 0.00 3.07 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 0.00 156 G 7.92 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 0.00 0.00 0.00 157 I 8.06 4.68 2.07 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 1.41 1.12 1.13 0.00 0.00 158 P 0.00 4.60 0.00 2.38 2.26 0.00 3.84 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 2.25 2.21 0.00 159 Y 8.47 6.12 0.00 3.01 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 0.00 160 F 7.98 4.34 0.00 2.80 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 0.00 161 E 8.52 5.03 0.00 1.77 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 2.33 2.37 0.00 162 T 9.30 5.51 4.46 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 1.35 0.00 0.00 163 S 8.52 4.99 0.00 3.96 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 0.00 164 A 8.89 4.10 1.60 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 0.00 0.00 165 A 8.11 3.35 0.56 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 0.00 166 T 7.69 3.97 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 167 G 9.51 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 0.00 168 Q 8.01 4.02 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.22 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 169 N 8.95 4.47 0.00 3.06 3.03 0.00 0.00 6.73 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 V 7.65 3.79 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.05 0.00 0.00 171 E 8.28 4.18 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 2.43 2.32 0.00 172 K 7.93 3.90 0.00 1.87 1.85 0.00 1.90 0.00 0.00 2.36 0.00 0.00 3.48 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.77 1.69 7.81 173 S 7.51 2.79 0.00 3.60 3.50 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 0.00 174 V 7.00 3.34 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 0.28 0.00 0.00 0.59 0.00 0.00 175 E 8.53 4.15 0.00 2.00 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 2.43 2.56 0.00 176 T 7.44 3.93 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 1.33 0.00 0.00 177 L 7.59 3.87 0.00 1.72 1.83 1.01 0.39 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 0.00 178 L 7.95 3.81 0.00 1.71 1.76 0.85 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 179 D 7.62 4.37 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 0.00 180 L 7.79 4.15 0.00 1.80 1.96 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 181 I 7.32 4.04 1.83 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.76 0.75 0.00 0.00 *183 K 8.05 4.11 0.00 1.89 1.85 0.00 1.67 0.00 0.00 1.78 0.00 0.00 3.22 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.49 7.81 184 R 7.82 4.14 0.00 1.91 1.92 0.00 3.28 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 *186 E 8.19 4.26 0.00 2.10 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 2.24 2.31 0.00 187 K 7.74 4.47 0.00 1.92 1.85 0.00 1.67 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.53 7.81 188 C 7.93 4.35 0.00 3.06 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 * Residues marked with a * may have inaccurate shift predictions.