NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.0511 8.3101 121.7860 56.4302 33.5059 174.6881 5 A 4.3826 7.5912 124.8280 49.8120 23.0343 170.1431 6 V 4.2638 8.2301 122.6759 62.4295 32.2264 173.9325 7 I 4.3746 8.7104 121.4153 61.3203 39.6503 175.9925 8 L 4.8859 7.7021 121.9579 52.9852 46.1090 175.7408 9 D 5.2044 8.4131 122.3771 51.5516 42.5496 176.2305 10 E 3.8746 8.9273 117.5960 59.8069 29.2301 178.6461 11 Q 3.8952 8.0227 118.5089 59.1436 29.2692 177.7076 12 A 3.9879 8.3768 121.7955 55.3102 18.3954 179.6980 13 I 3.6546 8.0700 118.5008 64.4896 37.1562 178.6010 14 R 3.8996 8.1704 119.6377 59.5208 29.9141 178.8072 15 R 3.8984 8.2479 117.6688 59.1684 30.0098 178.8268 16 A 4.0328 8.1196 120.5573 55.2731 18.3063 179.7417 17 L 3.9446 8.0993 117.4404 58.2397 41.7059 179.8790 18 T 3.8655 8.1602 115.8701 66.5340 68.3578 176.7343 19 R 3.9755 8.1779 120.6967 59.4298 30.0619 178.7153 20 I 3.7571 8.1083 119.6234 64.1941 37.1385 178.0797 21 A 3.8933 8.1308 121.7722 55.5599 18.1885 179.3011 22 H 4.0046 8.1134 114.3828 59.2600 28.8761 177.9121 23 E 4.3097 8.3879 120.1607 59.7704 29.3837 179.4815 24 M 4.1321 8.4245 119.1899 58.3939 31.8959 178.8866 25 I 3.7478 7.8445 119.9660 64.4589 37.0565 178.4324 26 E 3.9984 8.5568 118.8744 58.9548 29.4293 178.7772 27 R 4.4604 8.0508 115.6597 56.3510 31.1857 176.2407 28 N 5.0147 8.0264 116.8739 53.9845 39.8768 174.3045 29 K 3.7335 9.2682 112.6019 57.6772 29.8606 176.8133 30 G 3.9233 8.6639 103.2951 45.7922 0.0000 173.7176 31 M 3.1530 8.4156 117.9017 55.6730 29.9296 176.0437 32 N 4.5262 7.5992 115.9312 54.7101 37.3802 174.8422 33 N 4.3641 9.0174 118.9708 53.9791 36.0730 172.6655 34 C 5.1530 7.8354 115.4474 58.1206 30.4249 173.2899 35 I 4.6152 8.5792 124.0968 59.5615 39.4860 174.5690 36 L 4.8406 8.5625 127.2746 53.7095 43.4829 175.8762 37 V 4.7193 8.9525 123.9082 60.9198 34.2501 174.9239 38 G 4.2084 8.9117 116.3840 45.9417 0.0000 171.8475 39 I 5.1095 8.1128 115.2456 58.6280 41.0759 175.3877 40 K 4.4118 8.8100 121.5744 56.8928 31.2646 177.0210 41 T 3.7406 8.4825 117.0125 67.4477 68.3407 177.0021 42 R 4.3984 8.0855 118.5307 58.5276 30.1733 179.1622 43 G 4.1046 7.9418 107.1748 47.2280 0.0000 175.7672 44 I 3.6464 7.6455 122.0812 64.3258 36.9671 178.1914 45 Y 4.2882 7.4931 117.4528 61.0885 37.7386 178.4312 46 L 4.0159 8.3257 119.8773 57.7314 41.6470 179.3179 47 A 4.0184 8.2536 120.8586 55.2524 18.3066 179.9004 48 K 3.9597 7.9985 116.8213 59.5649 32.0305 179.8754 49 R 3.9520 8.3200 118.7348 59.2428 29.9304 179.1226 50 L 3.9253 8.4842 118.9157 57.7263 41.6219 179.3464 51 A 3.9606 8.3176 121.0998 55.0918 18.1778 179.3632 52 E 3.8639 8.2474 117.7161 59.4863 29.2623 179.2470 53 R 3.8929 8.1842 118.3007 59.4371 30.1346 179.1890 54 I 3.7295 8.0751 119.9564 64.1390 36.9450 178.2251 55 E 4.4052 8.5896 121.8784 58.7290 29.3985 178.5519 56 Q 4.0668 8.2260 115.5485 57.9735 28.6611 177.2662 57 I 4.2003 6.9999 119.9690 63.3085 38.2765 177.1387 58 E 4.2694 8.8947 118.9594 56.3997 29.2162 178.2974 59 G 4.3399 8.5967 106.3993 45.8291 0.0000 172.8931 60 N 5.0190 7.5065 116.1514 50.3309 41.9239 172.7433 61 P 4.7626 0.0000 0.0000 62.3207 32.2346 175.7648 62 V 4.3713 7.9084 119.7563 61.0544 33.9061 175.4137 63 T 4.1487 8.4039 123.8714 63.5787 69.5707 173.3477 64 V 4.8868 8.4666 125.5129 61.1566 34.3836 174.4034 65 G 4.4735 9.0619 114.0508 44.8336 0.0000 170.5918 66 E 5.3278 8.6053 115.3846 55.2455 33.2464 174.6046 67 I 4.6453 8.7012 121.6612 59.8409 40.7145 174.1197 68 D 4.8994 8.6523 128.6290 53.0573 41.7322 175.1071 69 I 4.5779 8.1695 125.7689 59.5682 40.6727 175.0950 70 T 4.4646 7.6618 116.1562 60.4543 68.4991 174.5204 71 L 4.0513 8.5161 129.0890 54.9304 42.7313 176.0357 72 Y 3.9728 8.1926 126.0444 59.3078 39.3814 176.7623 73 R 3.4116 7.9293 126.7124 57.0481 27.0720 175.6923 *84 E 4.4025 7.5850 115.4944 55.2976 31.2436 174.6715 85 P 4.4294 0.0000 0.0000 63.5639 30.9153 176.3326 86 L 4.5559 8.5130 127.1258 53.6414 42.7946 172.2751 87 V 4.0669 8.3584 124.4434 61.7725 31.6222 176.0703 88 K 4.1763 9.0975 126.9769 56.2351 32.7248 177.0307 89 G 4.1375 6.8739 106.1803 44.5916 0.0000 169.8189 90 A 5.3332 7.2538 121.5323 51.7511 21.8065 175.3061 91 D 4.6840 7.5283 108.2811 54.1799 42.3813 174.0905 92 I 4.3224 7.1805 123.0359 58.0271 38.5678 174.7613 93 P 4.4015 0.0000 0.0000 64.4092 31.0918 176.1151 94 V 4.4763 7.2479 111.0105 59.3342 35.5069 174.3114 95 D 4.5230 8.5272 121.1853 53.9571 41.4176 175.8441 96 I 4.1648 8.2790 119.1525 61.0182 38.1995 175.4453 97 T 4.0791 7.4428 117.9136 65.4532 68.3507 173.7280 98 D 4.5661 9.1094 125.6797 55.0687 39.0759 173.5155 99 Q 4.8173 7.7427 117.5755 53.8702 32.4019 174.9562 100 K 4.6613 8.0564 120.6506 56.1643 33.4961 176.2576 101 V 4.8653 8.8601 124.6167 61.0893 35.0751 174.2151 102 I 4.9488 8.7416 127.2366 59.4515 40.3719 174.8214 103 L 4.7550 8.9967 128.1611 54.4195 43.3330 176.1555 104 V 4.8564 8.7775 122.9486 61.2019 34.1269 173.8008 105 D 5.3783 9.0486 127.4712 52.6485 44.4195 176.2215 106 D 4.4362 8.8242 123.3388 55.7572 41.0163 176.1874 107 V 4.8498 7.5974 118.2645 60.3929 34.4161 174.0557 108 L 4.3206 9.3736 131.1526 55.9362 43.5055 173.8443 109 Y 5.0736 8.9949 123.8574 58.4258 39.1564 177.0380 110 T 3.7720 8.6986 113.5533 62.7052 70.1670 177.1900 111 G 3.9527 8.1743 110.0388 45.5075 0.0000 175.2233 112 R 3.8011 7.4428 118.4315 59.0643 29.7225 178.9252 113 T 4.0303 7.7499 115.5260 66.2844 68.7322 176.8982 114 V 3.5936 7.7129 119.7554 65.8553 31.4671 177.8812 115 R 3.8041 8.1352 118.2190 59.4528 30.0941 178.3586 116 A 4.0855 7.9153 120.2157 55.1530 18.3764 179.8869 117 G 3.5519 8.5312 104.7196 47.9433 0.0000 175.7050 118 M 4.0206 8.6286 120.8785 58.5177 32.0755 177.9049 119 D 4.3322 8.1644 117.8705 57.3422 41.2474 178.3548 120 A 4.1309 7.8383 120.6891 55.4632 18.3017 179.4358 121 L 3.9659 7.8053 117.1390 58.0419 41.3875 179.1094 122 V 4.2947 7.4005 115.5424 63.2961 31.6512 176.1641 123 D 4.7103 8.2851 116.3505 54.2149 44.5256 177.1689 124 V 3.7753 8.0312 118.0217 65.1884 31.8583 175.1416 125 G 4.1794 7.5463 105.7511 44.8923 0.0000 172.6735 126 R 4.7102 8.1048 115.4156 53.1911 30.8208 173.3427 127 P 4.9324 0.0000 0.0000 62.4382 32.0009 177.2845 128 S 4.4507 8.6742 117.0188 61.6094 63.5675 174.1849 129 S 4.7145 7.6811 112.3529 57.3340 66.1274 173.7004 130 I 5.0784 8.2343 120.5801 59.8839 40.4176 174.8327 131 Q 4.8963 9.1313 125.0831 53.9318 32.9792 173.9892 132 L 5.2270 9.2692 120.9379 53.5069 45.3558 174.7646 133 A 5.5181 9.3524 128.1564 50.3479 22.0097 175.2947 134 V 5.3144 8.9351 114.8043 58.4820 35.8525 176.5721 135 L 3.9797 8.8499 126.6605 57.8050 43.1343 176.6110 136 V 4.9380 8.1043 118.1571 60.9329 35.2374 173.4135 137 D 5.3450 9.0207 126.6675 52.6174 43.3655 175.8506 138 R 5.0198 8.3979 121.8969 54.9987 30.4579 177.6096 139 G 3.7366 8.7257 109.6073 46.2331 0.0000 172.5258 140 H 4.1346 8.6224 112.4471 56.6755 25.6158 175.7857 141 R 4.6877 7.9925 113.5122 56.1866 29.8685 175.9125 142 E 4.6281 8.7857 116.9407 55.8455 31.0595 175.8661 143 L 4.8062 7.3415 117.7071 52.2229 46.1308 174.6747 144 P 4.5916 0.0000 0.0000 62.7771 30.5755 176.5820 145 I 4.4907 7.3433 117.7475 60.2962 39.8095 176.0152 146 R 4.6696 8.2721 122.6480 54.0227 33.7488 174.8132 147 A 4.3777 8.3470 123.0893 52.1121 19.4075 177.5524 148 D 4.4842 8.8637 121.7913 55.9650 42.0084 176.7157 149 Y 4.8041 7.8042 115.6047 56.2743 42.2842 174.3112 150 I 5.0228 8.4641 123.6714 59.9170 40.5296 175.5735 151 G 3.8317 8.9655 114.7911 48.6740 0.0000 174.1260 152 K 4.7469 8.4026 122.4580 54.5797 36.0181 174.4129 153 N 5.2508 8.8058 124.7119 52.6345 40.1630 174.6403 154 I 4.6423 8.8359 123.9134 58.6800 40.8966 173.1863 155 P 4.6299 0.0000 0.0000 62.6539 31.8934 175.6285 156 T 4.8408 8.1937 111.3970 59.9646 71.9146 172.6780 157 S 4.7832 8.7811 116.7280 56.2670 65.1069 175.5187 158 K 3.8846 8.4171 120.0033 59.3742 31.7910 178.9079 159 S 4.3331 7.4048 112.2517 59.9314 63.4196 174.3302 160 E 4.5852 7.5298 120.5464 56.1695 30.3949 176.2888 161 K 4.6031 9.1677 121.4091 54.5918 35.7431 175.2767 162 V 4.9106 8.3806 123.5758 61.4275 33.9379 174.5460 163 M 4.9304 9.2084 126.5527 53.6690 36.0742 174.3496 164 V 4.6117 8.5429 122.9210 61.7947 33.4763 174.8732 165 Q 4.8865 9.2431 125.9151 54.1322 32.2894 174.3636 166 L 5.3126 9.0760 123.5628 52.6726 43.8584 177.5801 167 D 4.9060 9.3174 121.2810 55.0183 39.6124 178.1857 168 E 3.8972 7.7587 118.9369 58.1865 29.5657 177.6265 169 V 4.3591 7.0444 114.5946 60.5852 33.2614 174.1378 170 D 5.0729 8.2354 120.2377 52.1251 44.2264 176.1729 171 Q 3.9132 8.7409 119.8109 59.2031 29.0425 175.1171 172 N 5.1305 7.6876 111.4031 51.7426 43.3773 173.1733 173 D 5.1276 8.3399 119.5732 53.4304 42.0285 176.2172 174 L 4.5670 8.5772 122.7037 55.1083 44.4761 173.5953 175 V 4.9140 8.5692 119.3343 61.1207 34.3892 174.2073 176 A 5.1365 9.0725 128.5162 50.0033 22.8519 174.2922 177 I 4.8723 8.3394 119.1238 59.3561 41.3022 173.9849 178 Y 4.8465 9.3222 125.8129 56.3412 41.5777 174.9232 179 E 4.8675 8.8488 121.5960 55.4015 31.9835 176.0907 180 N 4.5501 8.2874 117.2269 53.8320 39.8186 174.7158 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 4 K 8.31 4.05 0.00 1.78 1.76 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.11 0.86 7.81 5 A 7.59 4.38 1.12 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 0.00 0.00 6 V 8.23 4.26 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.88 0.00 0.00 7 I 8.71 4.37 1.84 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 1.25 0.77 0.86 0.00 0.00 8 L 7.70 4.89 0.00 1.59 1.53 0.92 1.00 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 9 D 8.41 5.20 0.00 2.76 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 10 E 8.93 3.87 0.00 2.04 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 2.38 2.38 0.00 11 Q 8.02 3.90 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.66 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 12 A 8.38 3.99 1.42 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 0.00 0.00 13 I 8.07 3.65 2.01 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 1.42 0.86 0.92 0.00 0.00 14 R 8.17 3.90 0.00 1.92 2.17 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 15 R 8.25 3.90 0.00 2.05 1.97 0.00 3.19 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 16 A 8.12 4.03 1.41 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 0.00 0.00 17 L 8.10 3.94 0.00 1.85 1.73 0.93 0.62 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 18 T 8.16 3.87 4.41 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 1.29 0.00 0.00 19 R 8.18 3.98 0.00 2.04 2.14 0.00 3.12 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.71 0.00 20 I 8.11 3.76 1.99 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.74 0.80 0.00 0.00 21 A 8.13 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 22 H 8.11 4.00 0.00 3.38 3.58 0.00 5.63 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 23 E 8.39 4.31 0.00 2.39 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 2.42 2.63 0.00 24 M 8.42 4.13 0.00 1.85 2.10 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 1.65 0.00 25 I 7.84 3.75 2.02 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.70 0.97 0.00 0.00 26 E 8.56 4.00 0.00 1.96 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 2.38 2.51 0.00 27 R 8.05 4.46 0.00 2.00 2.04 0.00 3.11 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.94 0.00 28 N 8.03 5.01 0.00 2.95 2.77 0.00 0.00 7.03 6.97 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 29 K 9.27 3.73 0.00 1.92 1.81 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.43 7.81 30 G 8.66 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 M 8.42 3.15 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.73 0.00 32 N 7.60 4.53 0.00 2.74 2.77 0.00 0.00 6.94 7.88 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 33 N 9.02 4.36 0.00 2.93 2.94 0.00 0.00 6.99 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 C 7.84 5.15 0.00 2.85 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 35 I 8.58 4.62 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 1.22 0.73 0.95 0.00 0.00 36 L 8.56 4.84 0.00 1.59 1.55 0.89 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.95 4.72 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 1.07 0.00 0.00 0.92 0.00 0.00 38 G 8.91 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 0.00 0.00 0.00 0.00 39 I 8.11 5.11 1.88 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 1.37 1.52 0.91 0.00 0.00 40 K 8.81 4.41 0.00 2.05 1.95 0.00 1.93 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.43 1.47 7.81 41 T 8.48 3.74 4.30 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 1.34 0.00 0.00 42 R 8.09 4.40 0.00 2.10 2.08 0.00 3.20 0.00 0.00 3.43 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.83 0.00 43 G 7.94 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 0.00 0.00 0.00 0.00 44 I 7.65 3.65 1.71 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.85 0.71 0.00 0.00 45 Y 7.49 4.29 0.00 3.16 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 46 L 8.33 4.02 0.00 1.86 1.74 0.96 0.79 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 47 A 8.25 4.02 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 48 K 8.00 3.96 0.00 2.12 1.93 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.62 7.81 49 R 8.32 3.95 0.00 2.01 1.99 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 50 L 8.48 3.93 0.00 1.73 1.65 0.87 0.95 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 51 A 8.32 3.96 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 52 E 8.25 3.86 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 53 R 8.18 3.89 0.00 1.99 1.92 0.00 3.17 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 54 I 8.08 3.73 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.80 0.88 0.00 0.00 55 E 8.59 4.41 0.00 2.10 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 2.27 0.00 56 Q 8.23 4.07 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.53 0.00 0.00 0.00 0.00 0.00 2.55 2.39 0.00 57 I 7.00 4.20 1.95 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 1.51 0.79 0.91 0.00 0.00 58 E 8.89 4.27 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 2.39 2.64 0.00 59 G 8.60 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 N 7.51 5.02 0.00 2.52 2.66 0.00 0.00 7.04 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 61 P 0.00 4.76 0.00 2.03 1.97 0.00 3.61 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.22 0.00 62 V 7.91 4.37 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 0.86 0.00 0.00 0.91 0.00 0.00 63 T 8.40 4.15 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 1.20 0.00 0.00 64 V 8.47 4.89 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 0.77 0.00 0.00 0.92 0.00 0.00 65 G 9.06 4.47 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 0.00 0.00 0.00 66 E 8.61 5.33 0.00 1.99 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 2.26 2.25 0.00 67 I 8.70 4.65 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 1.10 0.85 0.91 0.00 0.00 68 D 8.65 4.90 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 69 I 8.17 4.58 1.89 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 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0.00 1.87 1.84 0.00 1.98 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.37 7.81 89 G 6.87 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 0.00 0.00 0.00 0.00 90 A 7.25 5.33 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 91 D 7.53 4.68 0.00 2.64 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 92 I 7.18 4.32 1.86 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 1.46 1.36 0.95 0.00 0.00 93 P 0.00 4.40 0.00 2.16 2.18 0.00 3.74 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 1.98 2.06 0.00 94 V 7.25 4.48 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.93 0.00 0.00 95 D 8.53 4.52 0.00 2.61 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.28 4.16 1.87 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 1.41 0.48 0.91 0.00 0.00 97 T 7.44 4.08 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 1.21 0.00 0.00 98 D 9.11 4.57 0.00 2.80 2.80 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 99 Q 7.74 4.82 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.11 7.00 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 100 K 8.06 4.66 0.00 1.75 1.74 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.39 7.81 101 V 8.86 4.87 2.09 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 1.07 0.00 0.00 0.93 0.00 0.00 102 I 8.74 4.95 1.82 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 1.27 0.56 0.91 0.00 0.00 103 L 9.00 4.76 0.00 1.61 1.59 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 104 V 8.78 4.86 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 0.98 0.00 0.00 0.90 0.00 0.00 105 D 9.05 5.38 0.00 2.75 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 D 8.82 4.44 0.00 2.81 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 0.00 107 V 7.60 4.85 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 0.83 0.00 0.00 0.97 0.00 0.00 108 L 9.37 4.32 0.00 1.82 1.57 1.01 0.77 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 0.00 109 Y 8.99 5.07 0.00 2.99 2.54 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 0.00 110 T 8.70 3.77 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 0.31 0.00 0.00 111 G 8.17 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 R 7.44 3.80 0.00 1.27 1.78 0.00 2.21 0.00 0.00 2.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.20 0.00 113 T 7.75 4.03 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 1.25 0.00 0.00 114 V 7.71 3.59 2.23 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 0.86 0.00 0.00 0.95 0.00 0.00 115 R 8.14 3.80 0.00 1.99 1.98 0.00 3.12 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 116 A 7.92 4.09 1.42 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 0.00 0.00 117 G 8.53 3.55 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 0.00 118 M 8.63 4.02 0.00 2.15 2.12 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 2.60 2.58 0.00 119 D 8.16 4.33 0.00 2.82 2.72 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 0.00 120 A 7.84 4.13 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 0.00 121 L 7.81 3.97 0.00 1.91 1.76 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 122 V 7.40 4.29 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 0.83 0.00 0.00 0.96 0.00 0.00 123 D 8.29 4.71 0.00 2.78 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 0.00 124 V 8.03 3.78 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.93 0.00 0.00 125 G 7.55 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 0.00 126 R 8.10 4.71 0.00 1.72 1.81 0.00 3.13 0.00 0.00 3.39 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 127 P 0.00 4.93 0.00 2.28 2.05 0.00 3.77 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 1.97 0.00 128 S 8.67 4.45 0.00 3.93 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 S 7.68 4.71 0.00 3.89 3.96 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 0.00 138 R 8.40 5.02 0.00 1.82 1.98 0.00 2.90 0.00 0.00 2.34 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.43 0.00 139 G 8.73 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 0.00 0.00 0.00 140 H 8.62 4.13 0.00 3.72 3.64 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 0.00 141 R 7.99 4.69 0.00 1.96 1.95 0.00 2.81 0.00 0.00 4.01 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 142 E 8.79 4.63 0.00 1.70 1.84 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 2.15 2.25 0.00 143 L 7.34 4.81 0.00 1.50 1.45 0.85 0.98 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 0.00 144 P 0.00 4.59 0.00 2.16 2.09 0.00 3.68 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 1.96 1.96 0.00 145 I 7.34 4.49 1.85 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 1.40 0.64 0.91 0.00 0.00 146 R 8.27 4.67 0.00 1.72 1.76 0.00 3.36 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 147 A 8.35 4.38 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 0.00 148 D 8.86 4.48 0.00 2.54 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 0.00 0.00 0.00 149 Y 7.80 4.80 0.00 2.92 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 0.00 150 I 8.46 5.02 1.90 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 1.31 0.62 0.97 0.00 0.00 151 G 8.97 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 0.00 152 K 8.40 4.75 0.00 1.84 1.61 0.00 1.52 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.47 7.81 153 N 8.81 5.25 0.00 2.63 2.73 0.00 0.00 6.83 7.45 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 0.00 154 I 8.84 4.64 1.87 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 1.29 1.06 0.90 0.00 0.00 155 P 0.00 4.63 0.00 2.18 2.06 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 156 T 8.19 4.84 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 1.19 0.00 0.00 157 S 8.78 4.78 0.00 4.01 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 K 8.42 3.88 0.00 1.76 1.93 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.14 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.35 1.36 7.81 159 S 7.40 4.33 0.00 4.18 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.53 4.59 0.00 1.84 1.90 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 2.41 2.29 0.00 161 K 9.17 4.60 0.00 1.73 1.68 0.00 1.54 0.00 0.00 1.54 0.00 0.00 2.75 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.35 7.81 162 V 8.38 4.91 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.89 0.00 0.00 163 M 9.21 4.93 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.51 0.00 164 V 8.54 4.61 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 0.83 0.00 0.00 0.97 0.00 0.00 165 Q 9.24 4.89 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.51 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 166 L 9.08 5.31 0.00 1.50 1.64 1.03 0.99 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 0.00 167 D 9.32 4.91 0.00 2.83 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 0.00 168 E 7.76 3.90 0.00 1.16 1.12 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 2.00 2.12 0.00 169 V 7.04 4.36 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 0.79 0.00 0.00 1.01 0.00 0.00 170 D 8.24 5.07 0.00 2.69 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 0.00 171 Q 8.74 3.91 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 172 N 7.69 5.13 0.00 2.58 2.67 0.00 0.00 6.80 8.06 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 0.00 173 D 8.34 5.13 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 0.00 174 L 8.58 4.57 0.00 1.80 1.70 0.92 0.82 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 0.00 175 V 8.57 4.91 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 1.09 0.00 0.00 0.94 0.00 0.00 176 A 9.07 5.14 0.96 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 0.00 177 I 8.34 4.87 1.80 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 1.19 1.58 0.87 0.00 0.00 178 Y 9.32 4.85 0.00 2.87 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 0.00 179 E 8.85 4.87 0.00 1.88 1.90 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 2.26 2.28 0.00 180 N 8.29 4.55 0.00 2.85 2.64 0.00 0.00 6.78 7.56 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 * Residues marked with a * may have inaccurate shift predictions.