NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1133 8.2644 123.5831 52.2283 20.9264 176.2944 *2 T 4.2234 7.4203 109.5966 62.1570 69.1502 172.3904 3 I 5.2091 8.1692 124.4152 59.4874 40.3226 175.0793 4 R 4.6932 8.8298 121.7617 54.2432 33.5851 174.2231 5 F 4.7319 8.7185 118.0782 57.4642 39.4100 175.6106 6 A 4.6882 9.2766 125.4894 52.1544 19.5014 176.0440 7 D 5.2700 9.2630 118.1065 49.5582 42.8438 176.9875 8 K 3.4720 8.3243 116.8625 59.1446 31.5491 179.2039 9 A 4.0798 7.8878 120.1759 54.5094 18.5049 178.5259 10 D 4.5174 8.0769 116.4825 55.8331 40.9623 178.1902 11 C 4.0532 7.9801 118.4703 62.4766 28.1895 175.6124 12 A 3.9322 7.9501 121.7158 55.1299 18.1805 179.3284 13 A 3.9771 7.9217 118.6701 55.3867 18.4486 179.7069 14 I 3.4793 7.8571 118.3466 64.7061 36.8926 178.5921 15 T 3.7918 8.1535 117.1849 66.8166 68.2975 176.4345 16 E 4.0537 8.1271 118.7089 59.1762 29.7068 179.2306 17 I 3.7275 7.7926 120.6567 64.3041 37.1301 177.4249 18 Y 3.9188 8.4518 120.7271 60.9949 38.5815 178.1585 19 N 4.1726 8.4305 117.2498 56.3956 38.4648 176.8433 20 H 4.0130 8.4162 119.5243 59.2084 29.9894 177.0864 21 A 3.8340 7.7561 122.4617 55.2100 17.8746 179.8191 22 V 3.2185 7.2398 115.7368 65.7293 31.5805 177.7179 23 L 4.1202 7.5344 117.1219 57.1009 42.1308 177.3069 24 H 5.0055 7.8281 117.3697 56.1683 29.4126 175.0046 25 T 4.3718 8.5001 114.1648 62.8327 69.8807 176.0421 26 A 4.0570 8.1398 124.9858 54.7066 19.0240 178.0086 27 A 4.6317 7.2799 120.0853 50.5380 17.7733 177.1588 28 I 3.4056 7.1760 120.9237 62.0334 38.6091 176.4368 29 W 5.1077 7.5893 117.5588 56.8113 29.5876 175.4142 30 N 5.2139 7.7939 115.8980 51.4381 41.4764 173.8636 31 D 4.6674 8.5481 117.3366 52.4951 41.0481 175.6389 32 R 4.5227 7.7196 119.4398 54.3374 31.7934 176.2044 33 T 4.2948 8.2655 112.5782 61.7033 69.6053 173.4524 34 V 4.5218 8.7536 115.3019 59.0984 35.5087 175.5526 35 D 4.8169 8.1573 121.7325 52.2322 42.5753 177.4268 36 T 3.9399 8.1151 110.8069 64.4656 68.5543 175.8875 37 D 4.3640 8.1327 121.2524 57.1847 40.8895 178.1166 38 N 4.2931 8.5574 117.2992 57.0481 38.9950 177.1817 39 R 4.0392 7.8205 118.9823 58.7462 29.9936 178.6954 40 L 4.0072 8.4754 120.7470 58.2181 42.0846 178.9528 41 A 4.0429 8.3126 120.7503 54.7995 18.2942 179.3962 42 W 4.0951 8.4734 126.9535 60.7095 30.6855 177.4793 43 Y 3.5215 8.8786 119.8210 60.8163 38.2824 178.0210 44 E 3.9497 8.7295 119.4947 59.3320 29.3312 179.3096 45 A 3.8898 8.0496 120.8523 55.0092 18.4150 179.8844 46 R 3.5672 7.4212 116.5215 59.4399 30.0987 179.2582 47 Q 3.7231 7.5857 117.6892 58.8051 28.3966 178.7386 48 L 3.8559 7.4889 120.4021 57.9070 42.1830 178.4632 49 L 3.9185 7.0912 116.8754 54.5557 41.5804 177.6293 50 G 3.8115 7.4024 106.5995 46.3113 0.0000 172.8263 51 Y 4.9039 7.4416 116.8185 55.7999 39.2593 174.0135 52 P 4.5989 0.0000 0.0000 62.6203 33.5772 175.0289 53 V 4.5585 8.4229 121.1144 61.3536 34.1855 174.0759 54 L 5.2399 9.3105 128.0547 53.1567 44.8916 175.9328 55 V 5.1322 8.7674 114.6744 59.6805 35.6599 175.1953 56 S 5.1394 8.8760 118.5492 57.8144 65.0611 172.6205 57 E 5.1577 8.8107 121.3072 55.1488 33.3210 174.3507 58 E 4.4735 9.0444 125.1495 55.7655 32.4506 174.8246 59 N 4.2439 10.0643 126.3835 54.7784 37.4359 174.4789 60 G 3.9007 8.3832 101.0591 45.5974 0.0000 173.4230 61 V 4.2954 7.4957 119.6899 60.2647 33.3668 175.1357 62 V 4.1631 8.4245 127.4221 63.3241 31.8962 175.3494 63 T 4.3901 9.0495 116.9124 60.7953 70.4699 173.9382 64 G 4.5384 7.5959 110.4812 47.0812 0.0000 170.8355 65 Y 5.6401 8.3166 117.0861 56.0500 42.0807 173.6370 66 A 5.0162 9.3008 120.5504 51.1669 23.3224 175.2220 67 S 4.9442 9.1801 114.2298 58.5581 66.7514 172.7618 68 F 5.5733 7.9597 115.4734 55.5516 41.0964 173.3535 69 G 4.6743 9.2010 106.0731 44.4495 0.0000 171.4961 70 D 4.9848 9.0999 119.6317 54.0131 41.4084 176.7845 71 W 4.5730 8.9584 134.4178 60.0484 30.9123 176.2805 72 R 4.4145 7.5832 113.7995 54.4127 33.8306 175.4278 73 S 4.5443 8.2287 115.7930 56.7856 61.4399 173.8737 74 F 4.9802 7.6601 120.3207 55.7847 43.4679 176.2306 75 D 4.5377 9.0075 123.5539 56.0205 39.5251 178.6890 76 G 3.3948 8.0769 107.9287 47.7435 0.0000 173.8294 77 F 4.9655 7.9922 118.6695 57.4338 38.9191 177.6263 78 R 4.2179 7.9037 117.8681 58.2702 29.4415 176.4997 79 Y 4.5876 8.2366 115.8434 58.1183 39.7374 174.6344 80 T 5.1640 8.6262 118.0628 61.8490 71.4167 173.6791 81 V 5.0311 8.5574 118.9097 59.4273 35.6513 174.5654 82 E 5.4021 9.4833 123.8737 54.0171 31.7913 175.1665 83 H 5.6173 8.9175 122.7548 54.8927 30.9863 174.5155 84 S 4.5976 9.1109 113.1541 56.5967 66.4623 173.0659 85 V 4.4850 7.6416 121.5957 61.2721 34.1305 173.9421 86 Y 4.9067 8.2404 124.9001 56.1695 41.5702 174.5462 87 V 4.6445 8.4073 123.1387 60.9847 34.0560 174.7171 88 H 4.3863 9.1719 128.1266 55.6497 30.1715 174.6210 89 P 4.1934 0.0000 0.0000 65.3399 31.2158 176.9223 90 A 4.2678 8.1956 119.7472 53.4212 18.6894 176.9849 91 H 4.9146 8.2411 113.1907 55.3237 29.7595 174.2194 92 Q 4.1662 8.0770 117.8513 56.7982 29.2207 176.7731 93 G 3.9381 8.8441 107.2237 45.8546 0.0000 174.1526 94 K 4.3374 7.8521 117.5717 55.5777 32.8561 177.2120 95 G 3.8583 8.1673 106.6468 46.6877 0.0000 176.0524 96 L 4.1111 7.5265 120.2768 57.2415 41.4290 179.4531 97 G 3.6504 8.0837 105.3349 47.9072 0.0000 175.5162 98 R 3.8454 7.8521 120.8742 58.9378 30.2344 178.4835 99 K 3.9578 8.0593 118.2725 59.4536 31.9637 179.3732 100 L 3.9504 8.3001 119.5896 57.7027 41.5920 179.3123 101 L 3.8962 8.0274 120.3634 58.0603 41.8741 178.8074 102 S 4.0909 8.4352 113.5302 61.5860 62.3316 176.2479 103 R 3.8819 8.0103 121.3045 59.2557 29.6975 178.1564 104 L 4.0787 8.2162 120.5464 58.1096 42.0394 179.0747 105 I 3.6965 7.9503 119.8246 64.3812 37.0478 177.8668 106 D 4.3994 7.8210 119.8332 57.7617 40.6506 179.0193 107 E 4.1257 8.3498 118.5698 59.3035 29.4569 179.2723 108 A 3.9108 8.5512 121.2540 55.1970 18.3340 179.8977 109 R 3.8751 8.0522 116.5788 59.5416 29.9208 179.5608 110 R 4.0267 7.8190 116.8387 59.1807 30.1344 178.0448 111 C 4.5966 8.2328 114.1202 59.6505 28.2201 174.2898 112 G 3.9739 8.0069 108.7784 45.9402 0.0000 174.2315 113 K 4.3645 7.7402 118.4247 56.3255 32.9353 176.4499 114 H 4.8009 9.2953 121.8375 57.1677 31.6490 174.2459 115 V 4.6280 6.9979 115.8525 60.6820 35.3085 173.4518 *117 V 4.0515 8.3130 117.3704 62.9084 32.9949 174.9380 118 A 4.8380 8.6552 128.4483 50.0321 21.6689 175.1039 119 G 4.5091 8.9428 110.0291 44.8221 0.0000 173.0402 120 I 4.9056 9.0561 126.8958 58.9404 41.5408 174.7495 121 E 4.6026 8.7607 127.6835 56.5005 29.8594 177.6423 122 S 4.3776 8.9231 123.3440 61.0813 63.0817 175.4656 123 Q 4.3078 8.1714 115.8973 56.4355 29.0497 176.8697 124 N 4.6251 8.4211 119.5361 52.0893 36.3666 174.6843 125 A 3.9652 8.0118 126.4836 54.5212 18.9225 179.0031 126 A 3.9097 7.9159 118.9203 55.4578 18.4810 179.6899 127 S 4.0698 8.3210 111.6263 61.3379 62.4636 176.2791 128 I 3.7143 7.9981 122.7687 64.4909 36.8421 178.4156 129 R 3.9188 8.2019 118.9488 59.2029 29.7158 178.6828 130 L 3.9115 7.7473 118.4591 58.7258 42.3942 178.5138 131 H 4.1250 8.3708 116.0999 59.0608 28.5900 177.3208 132 H 4.6022 8.8030 121.7894 58.9246 29.4792 177.4462 133 S 4.3501 8.3566 115.8980 60.3889 62.5919 175.4883 134 L 4.6912 7.8188 120.3462 54.2285 41.9505 177.2846 135 G 3.9121 8.0115 107.5598 44.8128 0.0000 174.4326 136 F 4.4652 8.1576 118.6999 57.7688 40.2483 174.3268 137 T 4.7882 8.4781 118.5507 61.3629 71.5672 174.2069 138 V 4.1121 8.6305 125.9445 63.4981 31.7958 175.6227 139 T 4.6307 9.1320 115.9379 60.9751 70.2789 173.5889 140 A 4.7881 7.7028 124.5923 51.0333 22.3129 174.8275 141 Q 5.0695 8.0720 120.1715 53.0591 32.4696 172.3649 *143 P 4.2670 0.0000 0.0000 63.6580 32.4173 176.9431 144 Q 3.9394 9.1916 120.7271 57.2056 26.6447 175.3869 145 V 3.7794 7.3536 112.7565 62.4598 32.1575 176.2425 146 G 4.4970 8.0376 108.0647 43.6783 0.0000 172.1785 147 V 5.0378 7.9922 110.9697 59.8248 35.7475 174.8753 148 K 4.0391 8.9023 121.6365 56.6941 35.2238 175.0268 149 F 3.6254 9.0572 120.6264 58.5119 36.3957 176.4972 150 G 3.8722 8.4710 106.6349 45.3804 0.0000 173.8285 151 R 4.5098 7.6056 115.3073 53.1892 32.4859 174.7574 152 W 5.0271 8.3087 118.8433 57.0771 29.9665 175.6116 153 L 5.0699 9.4240 123.4523 53.1931 45.0872 175.1074 154 D 5.1677 8.7922 121.3919 52.9504 43.1887 174.9481 155 L 5.0552 8.3677 124.0715 53.8257 44.1513 174.8315 156 T 4.8100 9.0650 122.4188 62.0793 71.6450 173.9706 157 F 6.0399 8.5925 125.0696 55.3061 42.4189 174.5069 *159 Q 4.4622 8.3188 115.9509 56.5322 30.5077 174.1609 160 L 4.3973 7.5802 120.8160 52.9112 44.3890 175.1864 161 Q 4.3723 8.3564 127.3116 55.5685 29.6922 175.2129 162 L 4.3422 8.4472 124.7505 55.0897 42.9275 175.4330 163 D 4.5101 7.3075 116.9272 52.8930 41.7850 174.7893 164 E 4.5809 8.3324 116.9759 55.9570 29.4132 175.1824 165 H 4.2744 8.6611 114.9591 55.3567 29.2010 176.6816 166 A 4.1719 8.5918 125.9788 55.0381 18.5150 177.2162 167 A 4.4855 7.1181 116.5687 49.9939 22.4161 174.1860 168 P 3.9172 0.0000 0.0000 63.2061 31.4607 175.9692 169 D 4.9590 8.6813 118.3468 53.0715 39.8119 176.2899 170 A 4.6287 8.2870 122.4251 51.8241 19.4544 176.7611 171 C 4.1829 8.5266 123.2910 61.7094 28.0035 173.6868 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 0 A 8.26 4.11 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 *2 T 7.42 4.22 4.25 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 1.22 0.00 0.00 3 I 8.17 5.21 1.83 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 1.39 0.78 0.83 0.00 0.00 4 R 8.83 4.69 0.00 1.90 2.00 0.00 2.84 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 5 F 8.72 4.73 0.00 3.03 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 6 A 9.28 4.69 1.51 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 7 D 9.26 5.27 0.00 2.85 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 8 K 8.32 3.47 0.00 1.68 1.72 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.97 1.24 7.81 9 A 7.89 4.08 1.30 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 0.00 0.00 10 D 8.08 4.52 0.00 2.86 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 11 C 7.98 4.05 0.00 2.99 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 12 A 7.95 3.93 1.30 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 0.00 0.00 13 A 7.92 3.98 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 0.00 0.00 0.00 0.00 0.00 14 I 7.86 3.48 1.79 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 1.15 0.71 -0.19 0.00 0.00 15 T 8.15 3.79 4.39 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 1.23 0.00 0.00 16 E 8.13 4.05 0.00 2.25 2.22 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 2.55 2.39 0.00 17 I 7.79 3.73 2.30 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.00 1.17 0.00 0.00 18 Y 8.45 3.92 0.00 3.07 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 19 N 8.43 4.17 0.00 2.93 2.83 0.00 0.00 6.72 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 20 H 8.42 4.01 0.00 3.15 3.38 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.76 3.83 0.71 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 0.00 0.00 22 V 7.24 3.22 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.04 0.00 0.00 23 L 7.53 4.12 0.00 1.60 1.43 0.87 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 24 H 7.83 5.01 0.00 2.97 2.96 0.00 5.63 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.50 4.37 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 1.17 0.00 0.00 26 A 8.14 4.06 1.38 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 0.00 0.00 27 A 7.28 4.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.18 3.41 1.53 0.00 0.00 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 0.80 0.21 -1.05 0.00 0.00 29 W 7.59 5.11 0.00 3.42 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 30 N 7.79 5.21 0.00 2.62 2.66 0.00 0.00 6.69 7.91 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 31 D 8.55 4.67 0.00 2.56 2.52 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 32 R 7.72 4.52 0.00 1.82 1.89 0.00 3.21 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 33 T 8.27 4.29 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 34 V 8.75 4.52 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 0.87 0.00 0.00 0.94 0.00 0.00 35 D 8.16 4.82 0.00 2.94 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 36 T 8.12 3.94 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 1.19 0.00 0.00 37 D 8.13 4.36 0.00 2.86 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 38 N 8.56 4.29 0.00 2.84 3.01 0.00 0.00 7.28 7.22 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 39 R 7.82 4.04 0.00 1.77 1.90 0.00 2.35 0.00 0.00 2.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.52 0.00 40 L 8.48 4.01 0.00 1.79 1.90 1.02 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.31 4.04 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.47 4.10 0.00 3.40 3.39 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 43 Y 8.88 3.52 0.00 3.33 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 44 E 8.73 3.95 0.00 2.21 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 2.45 2.66 0.00 45 A 8.05 3.89 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 46 R 7.42 3.57 0.00 1.32 1.72 0.00 3.27 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.72 0.00 47 Q 7.59 3.72 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.79 0.00 0.00 0.00 0.00 0.00 1.88 2.06 0.00 48 L 7.49 3.86 0.00 1.68 1.71 0.84 0.96 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 49 L 7.09 3.92 0.00 0.84 0.13 0.68 0.65 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 50 G 7.40 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 51 Y 7.44 4.90 0.00 2.58 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 52 P 0.00 4.60 0.00 2.16 2.40 0.00 2.37 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.91 0.00 53 V 8.42 4.56 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 1.40 0.00 0.00 0.50 0.00 0.00 54 L 9.31 5.24 0.00 1.59 1.47 0.84 0.11 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 55 V 8.77 5.13 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 0.93 0.00 0.00 1.10 0.00 0.00 56 S 8.88 5.14 0.00 3.91 3.99 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 57 E 8.81 5.16 0.00 1.97 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 2.22 2.29 0.00 58 E 9.04 4.47 0.00 1.96 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.24 0.00 59 N 10.06 4.24 0.00 2.81 2.81 0.00 0.00 7.27 7.98 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 60 G 8.38 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 61 V 7.50 4.30 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 0.92 0.00 0.00 0.98 0.00 0.00 62 V 8.42 4.16 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 1.00 0.00 0.00 0.96 0.00 0.00 63 T 9.05 4.39 4.14 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 0.92 0.00 0.00 64 G 7.60 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Y 8.32 5.64 0.00 3.34 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 66 A 9.30 5.02 1.22 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 0.00 0.00 0.00 67 S 9.18 4.94 0.00 4.28 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 F 7.96 5.57 0.00 3.09 3.06 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 69 G 9.20 4.67 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 70 D 9.10 4.98 0.00 2.87 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 W 8.96 4.57 0.00 3.20 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 72 R 7.58 4.41 0.00 1.27 1.45 0.00 2.21 0.00 0.00 2.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 73 S 8.23 4.54 0.00 3.71 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 74 F 7.66 4.98 0.00 3.37 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 75 D 9.01 4.54 0.00 2.94 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 76 G 8.08 3.39 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 0.00 0.00 0.00 77 F 7.99 4.97 0.00 3.41 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 R 7.90 4.22 0.00 1.85 2.21 0.00 3.01 0.00 0.00 3.36 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.47 0.00 79 Y 8.24 4.59 0.00 3.01 3.06 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 80 T 8.63 5.16 4.77 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 1.13 0.00 0.00 81 V 8.56 5.03 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 0.26 0.00 0.00 0.18 0.00 0.00 82 E 9.48 5.40 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 2.36 2.40 0.00 83 H 8.92 5.62 0.00 3.36 3.47 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 A 7.92 3.91 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 0.00 127 S 8.32 4.07 0.00 3.94 3.99 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 0.00 128 I 8.00 3.71 2.03 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.51 0.94 0.00 0.00 129 R 8.20 3.92 0.00 1.99 2.00 0.00 3.14 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 130 L 7.75 3.91 0.00 1.71 1.79 0.87 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 131 H 8.37 4.12 0.00 3.18 3.08 0.00 5.87 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 H 8.80 4.60 0.00 3.39 3.48 0.00 5.83 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 S 8.36 4.35 0.00 4.06 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 0.00 134 L 7.82 4.69 0.00 1.92 1.81 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 135 G 8.01 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 0.00 0.00 0.00 136 F 8.16 4.47 0.00 3.12 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 0.00 137 T 8.48 4.79 4.25 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 1.24 0.00 0.00 138 V 8.63 4.11 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 0.84 0.00 0.00 0.99 0.00 0.00 139 T 9.13 4.63 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 1.26 0.00 0.00 140 A 7.70 4.79 1.51 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 0.00 141 Q 8.07 5.07 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.44 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 *143 P 0.00 4.27 0.00 2.18 1.98 0.00 3.76 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.10 0.00 144 Q 9.19 3.94 0.00 1.85 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.96 0.00 0.00 0.00 0.00 0.00 2.32 2.22 0.00 145 V 7.35 3.78 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 0.60 0.00 0.00 0.71 0.00 0.00 146 G 8.04 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 V 7.99 5.04 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 0.64 0.00 0.00 0.97 0.00 0.00 148 K 8.90 4.04 0.00 1.56 1.31 0.00 1.64 0.00 0.00 1.03 0.00 0.00 2.19 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.30 0.71 7.81 149 F 9.06 3.63 0.00 3.21 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 0.00 150 G 8.47 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 0.00 0.00 0.00 151 R 7.61 4.51 0.00 1.98 1.97 0.00 2.82 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 152 W 8.31 5.03 0.00 3.23 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 L 9.42 5.07 0.00 1.97 1.79 1.04 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 154 D 8.79 5.17 0.00 2.67 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 0.00 155 L 8.37 5.06 0.00 1.35 1.11 -0.06 0.56 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 0.00 156 T 9.06 4.81 4.42 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 1.26 0.00 0.00 157 F 8.59 6.04 0.00 3.06 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 *159 Q 8.32 4.46 0.00 1.96 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.86 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 160 L 7.58 4.40 0.00 0.27 0.41 0.64 0.07 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 0.00 161 Q 8.36 4.37 0.00 1.87 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.62 0.00 0.00 0.00 0.00 0.00 2.25 2.05 0.00 162 L 8.45 4.34 0.00 1.70 1.59 0.82 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 163 D 7.31 4.51 0.00 2.62 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 0.00 164 E 8.33 4.58 0.00 1.87 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 2.16 2.33 0.00 165 H 8.66 4.27 0.00 3.18 3.26 0.00 5.70 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 A 8.59 4.17 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 0.00 167 A 7.12 4.49 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 0.00 168 P 0.00 3.92 0.00 1.92 1.09 0.00 3.56 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.74 0.00 169 D 8.68 4.96 0.00 2.76 2.71 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 0.00 170 A 8.29 4.63 1.34 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 0.00 0.00 0.00 171 C 8.53 4.18 0.00 3.19 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 * Residues marked with a * may have inaccurate shift predictions.