NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.4726 8.3349 116.8002 58.4906 65.3131 174.4824 1 L 3.9154 7.4197 125.2857 57.2205 42.7078 175.7607 2 Y 5.0416 8.0619 114.1333 56.2347 43.6602 173.7065 3 K 5.0265 8.5189 122.2906 54.7524 34.8198 174.3805 4 L 5.2213 8.9225 129.8601 53.6393 44.4991 174.4754 5 Y 4.9445 9.1633 124.8836 57.6306 39.2901 173.9472 6 S 4.3901 8.9825 121.3791 57.7697 65.7836 173.9768 *8 Q 4.2628 8.8880 116.2328 56.1871 30.3315 177.0092 9 R 4.5016 7.8763 112.5223 56.0430 30.8145 176.5262 10 S 4.6938 7.9556 114.4216 57.8716 64.0005 174.8858 11 G 3.2238 8.9095 115.7229 47.7925 0.0000 175.5578 12 N 4.3104 8.1705 118.3198 56.2452 38.6131 177.5630 13 S 4.0180 7.9272 116.4674 61.6869 62.9186 176.0184 14 Y 4.2431 8.2935 122.3741 60.4246 38.4683 177.9443 15 K 3.4520 7.7893 119.5906 59.6445 32.2112 179.2846 16 V 3.4458 7.1685 117.6119 65.9809 31.4850 178.1258 17 R 3.7954 7.8733 117.8460 59.0941 29.8207 178.8583 18 L 3.5152 7.6783 119.8197 57.8498 42.0146 178.6446 19 A 3.8276 7.6333 120.6476 55.3536 18.2993 179.5883 20 L 3.7947 7.7848 117.0080 57.7297 41.5936 179.7405 21 A 3.8562 7.9272 120.6698 55.1975 18.0978 179.7810 22 L 3.9015 7.8775 116.6318 57.5761 41.7637 179.0287 23 L 4.1136 7.9304 116.6383 54.3274 42.2283 176.0146 24 D 4.3220 7.7349 117.4806 54.9554 40.1904 172.8730 25 A 4.7947 8.3578 119.4697 49.8653 20.6051 176.5722 26 P 4.7013 0.0000 0.0000 62.9765 32.7391 175.0198 27 Y 5.3464 8.2471 120.2882 56.2701 41.2992 173.3203 28 R 4.5050 9.2585 120.1712 54.4221 32.8111 173.9269 29 A 5.1839 8.5024 127.8939 50.6123 20.9442 176.0955 30 V 4.2418 8.8044 122.2886 60.8120 33.9733 174.2616 31 E 4.6759 8.8449 129.5809 56.0173 30.5156 175.8374 32 V 4.3308 8.5647 126.2917 61.3305 34.2604 174.8595 33 D 4.6200 10.0420 130.4172 52.7637 40.4840 176.3890 34 I 3.6127 8.4156 128.5723 64.7008 36.9289 177.8249 35 L 4.2348 8.0376 117.6001 56.4566 41.1194 178.5118 36 R 4.6146 8.0157 118.1218 55.3880 30.6416 177.1052 37 G 3.8730 7.8848 105.9184 46.4849 0.0000 176.2362 38 E 4.0315 7.4915 117.3585 58.2210 29.2564 178.0011 39 S 3.4348 7.7773 112.0339 58.6304 63.3683 175.0514 40 R 4.6455 7.7035 119.2549 56.2174 30.7041 176.8011 41 T 4.2074 7.6479 109.7735 60.7315 71.0506 173.0422 42 P 4.1597 0.0000 0.0000 66.3486 31.2040 178.1342 43 D 4.4024 8.1349 116.0591 57.7568 41.0478 178.7309 44 F 3.9137 8.0417 120.6834 61.1488 39.2272 177.3391 45 L 4.1737 8.4834 118.6249 57.3968 41.0747 179.1875 46 A 3.8966 7.7264 120.4362 54.7929 18.2887 178.6541 47 K 3.5036 7.2693 115.5939 57.5524 32.8382 176.7460 48 N 4.6879 6.6985 117.0412 50.8493 40.7814 172.9442 49 P 4.5131 0.0000 0.0000 64.6287 31.6380 177.4342 50 S 4.4274 8.2030 112.3239 57.9880 62.9658 174.4626 51 G 4.0622 8.1047 107.9976 46.1303 0.0000 173.7971 52 Q 4.2442 8.5144 119.0242 55.0358 29.2784 175.7957 53 V 4.5371 8.1715 122.2422 60.1899 34.0695 173.2464 54 P 5.5260 0.0000 0.0000 62.1669 32.8077 175.1540 55 L 4.9798 8.5557 121.5866 53.3855 45.9014 174.4732 56 L 5.1280 9.0076 128.7777 53.2843 43.6578 175.1736 57 E 4.1872 9.1084 127.7517 58.1797 30.0443 177.0580 58 T 3.9038 8.8444 124.6754 65.1870 67.3090 176.6904 59 A 4.1857 8.7077 129.1304 51.7390 20.0343 176.1730 60 P 4.5359 0.0000 0.0000 63.0625 31.7447 177.0033 61 G 3.9271 8.8597 110.4295 46.3070 0.0000 172.7519 62 R 4.3973 7.1793 119.6940 54.2222 32.7825 173.5201 63 Y 5.2246 8.6191 123.7695 56.0808 40.6568 174.7076 64 L 4.6756 9.0396 126.4490 53.4529 44.2503 175.3824 65 A 4.8819 8.5276 126.9976 50.9612 22.4815 171.8769 66 E 3.7433 8.8596 124.3430 56.2809 27.1213 175.6654 67 S 4.0880 8.6983 120.2707 61.8362 62.6908 176.1002 68 N 4.4459 8.1062 118.6662 55.4090 38.5137 177.1945 69 A 4.0911 7.9060 122.0987 55.0034 18.5801 179.3902 70 I 3.7360 8.1080 118.6987 64.5750 36.9801 178.5626 71 L 3.9312 7.6663 118.3293 57.5533 41.6993 178.9455 72 W 4.2507 8.0870 127.7354 60.7367 30.3978 177.1756 73 Y 4.0971 8.2159 118.0526 60.9384 38.3335 178.0152 74 L 3.8834 7.9072 118.0610 56.7072 42.1453 178.2815 75 A 4.2266 7.2445 119.1084 51.2068 19.4516 177.1813 76 V 3.2174 6.6222 117.4456 63.9000 31.9138 175.8671 77 G 3.7913 8.6999 113.9426 46.0637 0.0000 172.5339 78 T 4.6173 7.2507 109.1490 58.8430 71.5182 175.0593 79 S 4.1877 8.3647 115.3675 60.6574 63.1900 175.1614 80 L 4.0449 7.8109 119.9411 55.5277 41.6566 175.8471 81 A 4.5946 7.3953 122.6669 49.5138 20.1901 175.5728 82 P 4.6098 0.0000 0.0000 62.5386 33.0584 175.4616 83 D 4.6181 8.5744 116.6247 56.3957 41.9299 177.7645 84 T 4.2980 7.5008 108.2586 60.6785 70.2027 175.5950 85 R 3.7379 8.5050 119.8027 57.7009 30.1164 177.8464 *87 D 4.6764 8.2039 117.8641 54.0630 43.1468 177.8763 88 R 4.0123 8.1754 117.7817 59.5476 30.0493 179.0009 89 A 4.1611 8.0620 119.8298 55.0967 18.3551 179.5784 90 E 4.0757 8.3082 116.6589 59.3595 29.3885 179.0485 91 A 4.2319 7.9656 120.1260 55.4186 18.5524 179.4276 92 L 4.0886 7.7964 115.8147 57.7006 41.9000 178.9137 93 Q 4.2756 8.7154 120.0472 59.1556 28.8679 180.8534 94 W 4.4949 8.0587 119.2131 56.8522 29.1134 178.3463 *96 F 4.7257 8.1022 119.5914 57.6520 40.8275 177.4041 97 F 4.0769 8.7276 122.4162 61.3235 39.1684 176.7164 98 E 3.8261 8.6831 119.1545 59.2808 29.1561 178.5600 99 Q 3.9591 7.9652 118.4058 59.1532 29.3388 177.1288 100 H 4.5898 7.9000 113.3114 56.5950 29.2615 176.2056 101 A 4.2356 7.2187 122.2044 52.9639 20.0998 178.2916 102 L 4.0471 7.1453 116.4198 56.9512 42.2993 178.2370 103 E 3.5048 7.7583 119.3337 58.9558 29.4951 177.3345 104 P 4.3227 0.0000 0.0000 64.2305 31.7847 175.7837 105 N 4.6540 7.5403 112.8649 54.6403 41.2392 176.7412 106 I 3.8254 7.4182 118.3465 64.0537 37.1619 178.7737 107 G 2.7102 7.7497 108.4391 46.9097 0.0000 176.0338 108 S 3.8656 7.3558 116.9707 60.8856 62.7616 176.0854 109 A 4.0109 7.0579 123.4194 55.5883 18.1212 178.9021 110 Y 4.0403 8.1625 117.7923 60.8408 38.8060 178.2999 111 F 3.6625 8.2289 121.4137 61.0271 39.0368 177.2186 112 W 4.0749 8.4636 118.8970 59.6294 28.8503 178.6297 113 L 4.2812 8.4805 117.6942 56.4926 41.5579 177.5033 114 C 4.5241 7.7190 114.6191 59.7306 30.2999 174.4947 115 L 3.9588 7.1890 119.3323 56.0603 42.9942 176.6183 116 V 3.4522 6.9972 119.7862 61.3391 31.7039 175.0458 117 K 4.0993 8.6007 129.1629 57.7753 32.4568 176.3012 118 G 4.0776 8.7137 114.8918 46.5343 0.0000 174.8139 119 G 4.1568 7.9273 107.5357 45.3139 0.0000 175.7211 120 R 4.0392 8.0674 121.0644 59.8208 29.9390 178.0687 121 D 4.4140 8.0418 116.6833 56.9775 40.9456 178.0810 122 L 4.2232 7.4262 117.3494 56.2356 41.8892 177.1550 123 Q 4.3879 7.7999 118.8045 54.8458 29.9840 177.6521 124 T 3.6981 7.9785 111.1546 65.1979 68.7447 174.5744 125 H 4.2526 7.7794 117.1152 57.7000 29.1244 176.5166 126 A 3.7508 7.5316 122.7097 53.2250 18.8380 178.7960 127 L 3.6440 7.0705 118.6836 58.6255 42.1130 178.8108 128 E 4.0154 7.8771 117.4135 58.3177 29.5996 178.2008 129 D 4.3648 7.7800 118.9197 57.2371 41.0385 178.1395 130 W 4.7486 7.7216 118.9912 59.9834 29.1474 178.5207 131 L 3.6746 8.2700 118.7752 57.7811 41.0005 178.9747 132 E 4.1307 8.6483 119.5250 59.7550 29.6845 179.0954 133 R 4.2911 9.1515 118.8179 58.7740 30.3038 179.1220 134 G 3.6709 8.9314 106.0922 48.0444 0.0000 175.3787 135 Y 4.3391 8.5960 118.7974 60.6956 38.0567 177.9683 136 A 4.2110 8.2321 121.6973 54.9023 18.2122 179.6464 137 A 4.1661 7.8172 118.2444 55.6067 18.6634 179.5623 138 L 3.9012 7.7901 116.0038 57.9003 41.7272 179.3591 139 Q 4.4933 8.1416 119.3343 58.8414 28.8838 178.5053 140 V 3.8064 7.6636 115.7719 63.7000 30.9024 177.0757 *142 E 4.3244 8.0746 118.4982 55.8048 31.1340 177.2565 143 N 4.3646 8.5400 117.0114 56.9889 38.5981 176.2226 144 H 4.3325 8.0458 119.7672 58.8168 29.8336 176.4654 145 L 4.1115 7.0038 118.1933 54.6903 41.4822 178.9168 146 K 4.1421 7.4276 118.4815 59.1693 32.1700 178.3727 147 T 4.5424 6.9097 105.8812 60.9810 69.1092 173.7959 148 N 4.9264 7.3021 117.9639 52.5177 42.5237 175.1339 149 D 4.2349 8.5693 121.2645 55.9706 41.5936 176.1415 150 Y 4.9241 7.2885 113.9824 55.7999 41.9750 175.3059 151 F 3.6367 9.2353 120.6226 59.6439 39.1588 176.2417 152 A 4.7229 7.4905 121.2774 51.3657 21.9068 175.7100 153 A 3.8079 8.7339 119.3157 52.3673 16.8228 178.2131 154 G 4.0966 8.5243 103.5037 46.8923 0.0000 173.5773 155 Q 4.0295 7.5247 115.4156 53.8206 31.5785 173.7971 156 L 3.8404 7.2341 121.0729 55.2672 42.2814 175.9279 157 T 5.0731 9.0533 114.7625 57.7330 72.2362 174.5917 158 I 3.7268 8.2660 113.9059 63.6940 37.2938 177.7884 159 A 4.1040 7.8493 123.0696 55.3345 18.1207 179.3378 160 D 4.8958 8.1393 117.2429 57.8042 40.5182 179.0048 161 I 3.7169 7.9087 119.6031 64.2833 36.9275 178.1545 162 A 4.0173 8.2127 120.7174 55.3505 18.6653 179.4748 163 L 4.1339 8.1195 117.5061 57.9937 41.7096 179.0594 164 Y 4.2457 9.0228 120.3374 60.4507 38.4186 177.9716 165 G 3.7871 7.4913 104.8739 48.3836 0.0000 174.5530 166 Y 4.3088 7.4632 118.4415 59.9690 38.4709 177.7892 167 T 3.7961 7.7499 116.4771 67.0477 68.3723 175.6050 168 H 4.2710 7.7129 114.7336 57.0145 29.0990 176.8686 169 V 4.0538 7.2654 114.0035 60.8769 31.7297 177.2215 170 A 3.9535 7.6041 122.4796 55.3485 18.0945 179.6343 171 D 5.3514 8.1072 116.4967 55.5924 39.3217 177.6676 172 Q 4.4895 7.9236 117.9928 56.2917 29.2645 175.2630 173 C 4.9180 8.8639 115.8061 58.0939 30.1079 174.4966 174 D 4.8672 9.0085 117.7533 55.2534 38.0017 174.7908 175 F 4.6825 8.0323 117.9528 55.8467 40.7239 174.2040 176 D 5.2324 9.4278 123.5755 52.9488 42.6491 175.7016 177 L 5.0852 8.6755 125.7778 54.7655 42.1631 178.6202 178 S 4.2247 8.3525 115.1485 61.2867 62.9182 175.0738 179 T 4.0965 7.8241 113.0281 62.2697 67.7070 174.4743 180 F 5.1982 8.0831 118.9554 55.2162 39.4775 173.5358 181 P 4.3147 0.0000 0.0000 65.8378 31.6581 178.5908 182 A 3.9842 8.3783 120.7146 54.7467 18.2572 179.7986 183 V 3.6952 8.2000 116.7859 66.4520 31.8168 178.1469 184 N 4.5482 8.4032 116.0053 56.0584 38.2850 177.3993 185 A 4.0243 8.4453 122.8314 54.6545 18.3631 179.3483 186 W 3.9926 8.2754 126.9637 60.6347 30.7337 178.0312 187 L 3.6603 8.1254 118.7852 58.0175 40.8798 179.8984 188 R 4.0383 7.5368 117.5010 58.5170 30.3404 178.7648 189 R 3.8742 7.9040 118.7683 59.1877 29.9528 178.7141 190 V 3.3044 7.4293 118.1623 66.0311 31.0222 177.8547 191 E 2.0000 7.5965 117.7455 57.8657 28.8682 178.2431 192 Q 4.3546 6.9644 115.3890 54.7257 29.7761 175.8914 193 T 3.9657 7.0429 118.5986 62.6541 69.1064 172.2122 194 P 4.2986 0.0000 0.0000 63.9801 31.8402 176.8927 195 G 3.8184 8.8310 110.1627 45.2096 0.0000 173.3410 196 F 4.0503 7.6467 121.8693 57.7761 39.8902 174.4092 197 I 4.3770 6.5631 119.2670 58.9756 41.3604 175.3650 198 T 4.3301 7.9860 115.0109 61.9287 66.9366 177.2902 *200 D 4.5642 8.9847 120.4555 51.9855 41.1453 175.4425 201 W 4.1522 7.8737 130.2942 57.8171 31.1833 174.8353 202 T 4.3567 7.1561 114.9618 59.0969 70.3181 172.6248 203 P 3.9780 0.0000 0.0000 62.7345 31.4393 176.1681 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 S 8.33 4.47 0.00 3.97 3.79 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 1 L 7.42 3.92 0.00 0.94 0.79 0.72 0.38 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 2 Y 8.06 5.04 0.00 2.84 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.52 5.03 0.00 1.71 1.76 0.00 1.53 0.00 0.00 1.38 0.00 0.00 2.82 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.11 1.30 7.81 4 L 8.92 5.22 0.00 1.83 1.69 0.92 0.57 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 5 Y 9.16 4.94 0.00 3.12 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 6 S 8.98 4.39 0.00 3.95 3.73 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 *8 Q 8.89 4.26 0.00 2.38 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.77 0.00 0.00 0.00 0.00 0.00 2.25 2.48 0.00 9 R 7.88 4.50 0.00 1.88 2.04 0.00 3.26 0.00 0.00 3.14 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 10 S 7.96 4.69 0.00 4.01 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 11 G 8.91 3.22 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 0.00 12 N 8.17 4.31 0.00 2.81 2.91 0.00 0.00 7.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 S 7.93 4.02 0.00 4.10 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 14 Y 8.29 4.24 0.00 2.97 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 15 K 7.79 3.45 0.00 1.95 1.74 0.00 1.46 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.29 7.81 16 V 7.17 3.45 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 0.85 0.00 0.00 0.92 0.00 0.00 17 R 7.87 3.80 0.00 2.13 2.08 0.00 3.47 0.00 0.00 3.37 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.76 0.00 18 L 7.68 3.52 0.00 0.90 1.33 0.38 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.63 3.83 1.23 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 0.00 0.00 0.00 20 L 7.78 3.79 0.00 1.56 1.57 -0.07 0.37 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 21 A 7.93 3.86 1.09 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 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.88 3.90 0.00 1.59 1.65 0.80 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.93 4.11 0.00 1.62 1.68 0.84 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.73 4.32 0.00 2.73 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 25 A 8.36 4.79 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 26 P 0.00 4.70 0.00 2.16 2.23 0.00 3.81 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 27 Y 8.25 5.35 0.00 3.31 3.19 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 28 R 9.26 4.50 0.00 1.85 1.81 0.00 3.06 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.49 0.00 29 A 8.50 5.18 1.28 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 0.00 0.00 30 V 8.80 4.24 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.54 0.00 0.00 31 E 8.84 4.68 0.00 2.02 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 32 V 8.56 4.33 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 0.42 0.00 0.00 1.09 0.00 0.00 33 D 10.04 4.62 0.00 2.73 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.42 3.61 1.92 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 1.64 0.68 0.93 0.00 0.00 35 L 8.04 4.23 0.00 1.72 1.68 0.76 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 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 45 L 8.48 4.17 0.00 1.90 1.70 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.73 3.90 1.28 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 0.00 0.00 47 K 7.27 3.50 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.90 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.82 0.82 7.81 48 N 6.70 4.69 0.00 2.39 2.40 0.00 0.00 7.21 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.51 0.00 2.06 2.07 0.00 3.72 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 50 S 8.20 4.43 0.00 3.98 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 51 G 8.10 4.06 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 0.00 0.00 0.00 52 Q 8.51 4.24 0.00 2.21 2.11 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 0.00 113 L 8.48 4.28 0.00 1.75 1.79 1.15 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 114 C 7.72 4.52 0.00 2.48 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 0.00 115 L 7.19 3.96 0.00 0.81 1.04 0.78 0.90 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 0.00 116 V 7.00 3.45 1.75 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 0.89 0.00 0.00 -0.28 0.00 0.00 117 K 8.60 4.10 0.00 1.69 1.68 0.00 1.96 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.40 7.81 118 G 8.71 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 0.00 0.00 0.00 0.00 119 G 7.93 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 0.00 0.00 0.00 0.00 120 R 8.07 4.04 0.00 1.95 1.98 0.00 3.20 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 121 D 8.04 4.41 0.00 2.69 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 0.00 122 L 7.43 4.22 0.00 1.84 1.58 1.12 0.83 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 0.00 123 Q 7.80 4.39 0.00 1.98 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.79 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 124 T 7.98 3.70 4.09 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 0.00 0.00 0.00 1.18 0.00 0.00 125 H 7.78 4.25 0.00 2.99 3.24 0.00 5.69 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 A 7.53 3.75 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 L 7.07 3.64 0.00 1.57 1.62 1.01 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 128 E 7.88 4.02 0.00 2.01 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 129 D 7.78 4.36 0.00 2.73 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 0.00 130 W 7.72 4.75 0.00 3.68 3.40 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 0.00 0.00 0.00 0.00 131 L 8.27 3.67 0.00 1.87 1.82 0.88 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 132 E 8.65 4.13 0.00 2.12 2.41 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 2.37 2.50 0.00 133 R 9.15 4.29 0.00 2.03 2.08 0.00 3.41 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.91 0.00 134 G 8.93 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 0.00 135 Y 8.60 4.34 0.00 3.33 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 0.00 136 A 8.23 4.21 1.48 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 0.00 0.00 137 A 7.82 4.17 1.29 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 0.00 0.00 0.00 138 L 7.79 3.90 0.00 1.39 0.81 0.43 0.49 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 0.00 139 Q 8.14 4.49 0.00 2.69 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.05 0.00 0.00 0.00 0.00 0.00 2.52 2.57 0.00 140 V 7.66 3.81 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 0.94 0.00 0.00 1.24 0.00 0.00 *142 E 8.07 4.32 0.00 2.61 2.35 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 2.45 2.47 0.00 143 N 8.54 4.36 0.00 2.84 3.10 0.00 0.00 6.96 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 H 8.05 4.33 0.00 3.38 3.06 0.00 5.63 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 0.00 145 L 7.00 4.11 0.00 1.63 1.50 0.61 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 146 K 7.43 4.14 0.00 1.99 1.84 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.19 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.56 7.81 147 T 6.91 4.54 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 1.18 0.00 0.00 148 N 7.30 4.93 0.00 2.43 2.60 0.00 0.00 7.02 8.08 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 0.00 149 D 8.57 4.23 0.00 2.55 2.19 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 0.00 150 Y 7.29 4.92 0.00 2.94 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 0.00 151 F 9.24 3.64 0.00 2.83 2.21 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 0.00 152 A 7.49 4.72 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 0.00 153 A 8.73 3.81 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 0.00 154 G 8.52 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 0.00 155 Q 7.52 4.03 0.00 1.87 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.17 0.00 156 L 7.23 3.84 0.00 1.13 1.35 1.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 157 T 9.05 5.07 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 1.28 0.00 0.00 158 I 8.27 3.73 1.89 0.00 0.00 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 1.58 1.22 0.86 0.00 0.00 159 A 7.85 4.10 1.53 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 0.00 160 D 8.14 4.90 0.00 3.07 3.21 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 0.00 161 I 7.91 3.72 1.99 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.11 0.76 0.00 0.00 162 A 8.21 4.02 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 0.00 163 L 8.12 4.13 0.00 1.78 1.56 -0.26 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 164 Y 9.02 4.25 0.00 3.16 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 G 7.49 3.79 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 0.00 0.00 0.00 166 Y 7.46 4.31 0.00 2.98 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 0.00 167 T 7.75 3.80 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 1.34 0.00 0.00 168 H 7.71 4.27 0.00 2.81 2.03 0.00 5.54 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 V 7.27 4.05 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 0.38 0.00 0.00 0.75 0.00 0.00 170 A 7.60 3.95 1.03 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 0.00 0.00 171 D 8.11 5.35 0.00 2.95 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 0.00 172 Q 7.92 4.49 0.00 2.34 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.46 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 173 C 8.86 4.92 0.00 3.13 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 D 9.01 4.87 0.00 2.70 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 0.00 175 F 8.03 4.68 0.00 3.03 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 0.00 176 D 9.43 5.23 0.00 2.74 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 0.00 177 L 8.68 5.09 0.00 1.95 1.86 1.04 0.89 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 0.00 178 S 8.35 4.22 0.00 4.05 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 T 7.82 4.10 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 1.21 0.00 0.00 180 F 8.08 5.20 0.00 3.31 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 P 0.00 4.31 0.00 2.29 2.33 0.00 3.94 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.04 0.00 182 A 8.38 3.98 1.47 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 0.00 183 V 8.20 3.70 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 1.03 0.00 0.00 184 N 8.40 4.55 0.00 3.08 2.93 0.00 0.00 6.95 8.30 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 0.00 185 A 8.45 4.02 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 0.00 186 W 8.28 3.99 0.00 3.31 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 0.00 187 L 8.13 3.66 0.00 1.93 1.79 1.01 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 188 R 7.54 4.04 0.00 1.90 1.91 0.00 3.10 0.00 0.00 3.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.47 0.00 189 R 7.90 3.87 0.00 1.88 1.79 0.00 2.53 0.00 0.00 2.47 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 190 V 7.43 3.30 1.49 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 0.32 0.00 0.00 0.28 0.00 0.00 191 E 7.60 2.00 0.00 1.69 1.19 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 1.47 1.79 0.00 192 Q 6.96 4.35 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.82 0.00 0.00 0.00 0.00 0.00 2.45 2.35 0.00 193 T 7.04 3.97 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 194 P 0.00 4.30 0.00 2.00 1.96 0.00 3.66 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 1.99 2.05 0.00 195 G 8.83 3.82 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 0.00 0.00 0.00 196 F 7.65 4.05 0.00 2.89 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 0.00 197 I 6.56 4.38 1.29 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.48 -0.21 0.00 0.00 198 T 7.99 4.33 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 1.41 0.00 0.00 *200 D 8.98 4.56 0.00 2.85 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 0.00 201 W 7.87 4.15 0.00 3.29 3.31 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 0.00 202 T 7.16 4.36 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 1.08 0.00 0.00 203 P 0.00 3.98 0.00 1.92 1.99 0.00 3.59 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 2.11 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.