NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2946 8.1701 110.9406 61.2193 70.0940 173.8408 3 A 3.9316 8.7384 127.3169 52.7027 18.6651 176.1575 4 T 4.8679 8.4548 105.0913 60.0218 72.5698 171.3998 5 Q 4.9884 8.6269 120.2543 54.3260 33.7521 174.2296 6 I 5.1258 9.1650 121.0611 60.0588 40.8253 174.7386 7 T 5.0653 8.7468 123.3795 61.8121 71.2733 173.5804 8 G 3.2142 8.3594 113.2764 44.2322 0.0000 172.6564 9 V 4.7498 8.5340 123.9466 60.8505 34.5376 174.2383 10 V 4.6379 8.7871 129.1755 61.3356 33.3394 174.3681 11 L 4.6885 8.7984 129.2085 53.2677 43.0346 177.1658 12 A 4.9595 8.4302 127.4098 51.7469 19.0351 176.5845 13 A 4.3758 8.4404 123.0157 54.2650 19.9419 179.2639 14 G 3.6954 7.8974 104.8666 45.5576 0.0000 173.5535 15 R 4.3716 8.1623 118.5047 55.1729 31.7058 176.1081 16 S 4.6892 7.9001 111.3836 57.6415 63.3977 175.8535 17 N 4.2598 8.2257 119.7258 56.2280 39.2026 175.1761 18 R 4.5475 7.7876 114.0716 55.8423 30.6709 176.0631 19 L 3.8901 8.0138 118.8636 55.9841 42.7874 178.1853 20 G 4.0744 9.8494 103.7458 45.3542 0.0000 172.5992 21 T 4.5831 7.0518 111.5829 59.6744 70.4809 171.2625 22 P 4.2678 0.0000 0.0000 62.2795 31.8071 177.6944 23 K 3.7710 9.0486 123.8979 59.9897 32.8257 179.0774 24 Q 3.9691 8.0927 118.1099 57.9359 29.5385 177.9369 25 L 4.5691 7.5954 116.3268 54.1938 42.6474 177.2010 26 L 4.1175 7.6073 120.8483 54.1355 42.6537 175.2897 27 P 4.8354 0.0000 0.0000 62.9669 32.1636 175.6738 28 Y 4.6560 9.4182 123.3935 57.8268 42.1667 175.0284 29 R 3.3947 9.2398 127.7929 57.5195 27.5826 176.2489 30 D 4.6046 8.4418 111.4555 55.0590 39.2648 174.5134 31 T 4.4509 8.0373 114.4575 60.7159 69.8051 172.6188 32 T 5.0610 8.2603 109.9556 60.1848 72.4230 175.2762 33 V 3.4750 8.3768 121.1769 66.3197 31.3950 178.0505 34 L 4.1922 8.0327 119.9811 57.9568 41.9006 178.9544 35 G 3.6806 8.3171 105.5817 47.8404 0.0000 175.3489 36 A 4.1099 8.3351 123.7005 55.1592 18.3323 179.7058 37 T 3.8379 7.8002 113.9393 66.9749 68.5080 176.7872 38 L 4.1323 8.2592 121.0100 57.8669 41.3854 179.2588 39 D 4.3864 8.3792 118.3961 57.3330 41.0496 178.8220 40 V 3.7508 7.9998 118.3417 66.1034 31.6184 177.8375 41 A 4.2767 8.2655 120.5560 55.4983 17.9797 179.6644 42 R 4.1328 8.2378 115.2261 58.6075 30.2335 178.2990 43 Q 4.2808 7.8390 116.2683 56.8991 29.1543 176.7307 44 A 3.8789 7.6521 122.1512 53.2867 18.5683 178.2529 45 G 3.8182 8.0764 103.0459 45.8856 0.0000 173.7375 46 F 4.5309 7.7208 117.0712 57.4316 39.4842 175.4209 47 D 4.7129 8.8239 123.7303 56.6988 41.4788 176.5936 48 Q 4.6662 8.0072 118.2381 54.4031 33.1633 173.0718 49 L 5.0072 8.5003 125.9606 53.3916 45.5134 174.7095 50 I 4.9405 8.8285 127.3724 59.3651 40.1778 174.2878 51 L 5.2280 8.9528 128.6525 53.4167 44.7643 174.9785 52 T 5.0184 8.6212 116.8847 60.3476 70.6011 173.9554 53 L 5.0467 9.0248 123.5672 52.1477 46.4424 176.9547 54 G 4.4218 8.4242 109.5417 44.9231 0.0000 176.2294 55 G 3.6179 9.0833 111.6474 48.5185 0.0000 173.4495 56 A 4.2128 7.9364 119.8492 52.3552 19.0271 178.4948 57 A 3.9801 8.2886 120.5701 55.6667 18.3691 180.4252 58 S 4.0971 8.0447 111.6719 61.5523 62.7066 176.3174 59 A 3.9710 7.9088 123.9329 54.7577 18.2123 179.6306 60 V 3.5434 8.2113 117.1916 66.3007 31.4311 178.4996 61 R 3.9286 8.3561 116.6556 59.1475 29.9657 178.5074 62 A 4.1679 8.1406 118.9240 53.7372 18.6256 178.3785 63 A 4.5068 7.4541 117.0697 51.6623 20.5777 176.8122 64 M 4.6747 7.5193 115.7068 53.2774 35.5886 174.8524 65 A 4.3799 8.5881 125.7557 51.6984 19.3842 177.2619 66 L 4.7780 8.2933 123.3951 54.2633 42.6642 176.2708 67 D 4.4189 8.0109 117.9901 54.7581 39.6570 176.8684 68 G 4.0031 8.9327 108.9576 45.7209 0.0000 173.1851 69 T 4.8082 7.3440 115.9823 61.6658 71.4607 173.5704 70 D 4.6209 9.1544 126.6736 53.6953 41.9984 175.4613 71 V 4.6666 8.3177 124.1935 61.3486 33.1817 175.0579 72 V 4.4352 8.6862 127.2472 61.0161 34.5275 173.9960 73 V 4.8192 8.4757 127.1532 61.2790 33.5271 174.9305 74 V 4.5237 8.6201 120.3499 59.7659 34.9289 176.1987 75 E 4.2024 8.7703 120.1079 57.0215 29.7864 177.2218 *80 G 3.6599 7.6948 107.4270 46.2326 0.0000 172.3602 81 C 3.6665 8.4129 127.2613 60.3822 25.2864 174.8515 82 A 3.9273 7.9694 124.4879 55.5407 18.4257 179.2821 83 A 3.8887 7.8626 118.4323 55.1524 18.5456 179.6382 84 S 3.9331 7.9010 111.1666 61.4340 62.5325 175.9951 85 L 3.8041 7.9088 123.0141 57.9555 41.9316 178.5138 86 R 3.7406 7.9449 118.8157 59.7792 29.7377 178.4969 87 V 3.7126 7.5562 115.5358 65.0876 31.7225 177.5664 88 A 4.0375 7.9071 121.0142 55.1248 18.2126 179.3749 89 L 3.5505 7.9745 117.4376 57.9028 41.3855 179.6547 90 A 4.0252 7.3621 118.7412 54.5150 18.3338 178.3823 91 R 4.2100 7.7006 114.5956 56.5073 30.9517 177.1954 92 V 3.7442 7.2897 118.9306 62.7793 31.9947 175.1329 93 H 4.1335 9.3236 127.1335 55.9396 30.2068 174.1928 94 P 4.2764 0.0000 0.0000 65.7127 31.4880 177.4158 95 R 4.2636 8.3660 114.5804 56.3962 30.5349 175.8786 96 A 4.6219 8.0873 123.1313 52.4934 18.8837 177.5586 97 T 4.3546 8.7808 112.3526 61.2495 70.4187 174.5220 98 G 3.9364 7.0541 109.2249 46.5014 0.0000 171.4174 99 I 5.1099 7.5491 112.4735 58.9770 41.1748 174.6416 100 V 4.8880 8.9165 124.4110 61.4547 33.6504 173.9774 101 L 5.0921 9.3981 130.7090 53.9038 43.8241 174.9766 102 M 5.0692 9.1382 125.4389 53.5230 36.5393 174.2745 103 L 4.8463 8.1353 120.8818 52.9664 43.5776 178.2315 104 G 3.6346 9.1634 112.9702 47.9338 0.0000 173.8641 105 D 4.8108 7.8664 117.9987 53.2731 40.0073 177.0104 106 Q 4.5650 7.5661 116.3556 54.7006 28.5849 174.6389 107 P 4.5321 0.0000 0.0000 63.6702 32.2106 178.0134 108 Q 4.3264 7.7919 117.2425 56.4119 29.1940 176.3865 109 V 3.7326 7.2253 117.8922 61.4419 32.1910 175.8716 110 A 4.3395 8.5325 126.7549 50.9930 19.4760 176.3958 111 P 4.2857 0.0000 0.0000 65.7231 31.2691 178.9754 112 A 3.9797 8.0148 119.0693 55.4304 18.2827 179.6648 113 T 3.8044 7.7524 113.7253 66.8043 68.5705 176.9384 114 L 4.0532 7.8835 120.4021 57.8871 41.7569 179.6621 115 R 3.8444 8.1644 118.1314 59.1183 29.9570 179.3697 116 R 3.8467 8.1678 118.1155 59.3046 30.0464 179.0004 117 I 3.6924 7.9189 118.3911 63.9408 37.7175 177.9798 118 I 3.6614 7.5909 120.2368 64.0104 36.8814 177.7259 119 D 4.2938 7.6214 118.0624 57.2691 41.3972 178.0674 120 V 4.0114 7.7096 111.8371 62.2815 32.0929 178.4097 121 G 3.0370 7.6889 106.1806 47.3241 0.0000 173.8506 122 P 3.5008 0.0000 0.0000 64.0320 31.1832 176.7389 123 A 4.4647 7.0072 119.7135 51.9527 18.4502 176.6363 124 T 4.7807 7.6863 107.4862 60.8160 72.2434 173.7836 125 E 4.3743 8.8653 123.0351 58.9407 31.0711 176.4241 126 I 5.0982 7.6608 118.8773 59.8103 41.9139 173.8955 127 M 5.2467 9.0712 125.5266 53.8925 35.6999 174.4553 128 V 4.9102 8.5931 117.5881 59.7239 36.3329 174.0120 129 C 4.8776 8.6959 119.2772 58.7427 30.0771 173.0676 130 R 4.7634 8.9638 124.6710 55.2882 31.2467 175.1497 131 Y 5.4030 9.2867 124.9136 55.4270 40.3665 176.9428 132 A 4.0724 8.7944 123.1241 54.7821 18.4396 178.3228 133 D 4.8745 9.4400 112.6788 52.1507 40.1845 176.7706 134 G 3.8144 6.9118 107.4995 44.8560 0.0000 172.4069 135 V 4.8021 8.2782 120.5146 62.0939 32.7629 176.0100 136 G 4.7483 9.4358 113.0762 45.5306 0.0000 171.6269 137 H 4.1637 8.7138 117.0253 54.5773 29.3581 174.2043 138 P 4.6164 0.0000 0.0000 63.0411 32.3644 175.4503 139 F 5.3514 8.5447 119.5597 55.7305 42.2090 174.2682 140 W 5.2417 9.0419 131.7478 55.7146 33.3572 174.5205 141 F 4.8960 8.1138 124.8410 55.2979 42.0711 174.6979 142 S 4.1363 8.8034 119.2160 57.7253 63.2676 174.8608 143 R 2.0000 8.3993 125.4933 58.8972 29.7366 178.7313 144 T 3.9085 7.4894 106.5534 63.5800 68.9201 175.2435 145 V 4.3425 7.7253 114.8689 61.1482 32.4344 177.3666 146 F 4.4091 8.3678 122.1753 60.6701 38.3833 177.6464 147 G 3.7083 8.1484 103.7534 48.0356 0.0000 175.0705 148 E 4.1396 8.1326 120.7104 59.0412 29.4268 179.1988 149 L 3.8138 8.1267 118.9643 57.6931 41.4164 179.2806 150 A 4.0814 7.9318 119.1791 53.8148 18.3887 178.7293 151 R 4.4225 7.2577 114.7312 54.8652 30.9951 176.4396 152 L 4.1398 7.0425 120.2246 55.3093 42.0971 176.0188 153 H 4.7529 8.3096 116.5904 55.3433 31.5942 174.1405 154 G 3.8124 8.4935 108.1060 44.7759 0.0000 172.6639 155 D 4.5837 8.4713 118.0219 54.8756 41.8538 176.1345 156 K 4.0774 8.8951 119.7959 57.1863 30.2478 178.1278 157 G 3.6977 8.4942 106.0142 48.1532 0.0000 175.6732 158 V 3.5854 7.9024 120.5641 65.2843 31.7107 177.8701 159 W 4.2173 8.2856 118.2123 59.6922 28.7796 177.9521 160 K 3.9492 8.4852 118.5899 59.5754 31.8975 178.0038 161 L 4.1530 8.0297 120.2264 58.4632 41.9068 179.1955 162 V 3.7253 7.9213 109.6225 63.0778 31.5492 177.0135 163 H 4.7053 7.7697 114.1234 54.5268 29.6502 174.7257 164 S 4.3243 7.5914 117.0933 57.9573 62.7204 174.0801 165 G 3.8989 8.6097 114.8625 46.4407 0.0000 174.5401 166 R 4.0810 7.9412 119.0946 57.9139 30.3827 176.3479 167 H 5.0112 7.7217 113.8532 52.9739 32.3227 172.5700 168 P 4.4964 0.0000 0.0000 62.4912 29.0988 174.0249 169 V 3.9215 7.8303 125.0739 63.7114 32.2344 175.3285 170 R 4.5851 9.1101 127.7182 55.1745 32.5716 175.1075 171 E 5.0740 8.4865 119.0399 54.5651 33.0324 175.1615 172 L 4.5996 8.8066 126.2553 53.0490 44.1236 175.2127 173 A 4.5473 8.5450 128.8845 51.9590 19.0929 176.6125 174 V 4.3427 8.4713 122.3128 60.8028 34.9411 175.1922 175 D 4.6603 8.7869 127.0290 55.5120 42.9313 179.2332 176 G 3.9201 8.1725 111.8448 46.3876 0.0000 176.6003 *178 V 2.9028 8.3682 122.4431 60.9051 32.0062 172.7309 179 P 4.1548 0.0000 0.0000 62.8230 31.7287 175.9267 180 L 4.0997 7.5144 123.0944 54.6557 42.0320 177.2206 181 D 4.5400 8.3826 123.2126 53.7737 41.7408 176.3445 182 V 4.2526 8.3575 119.6065 61.5541 32.4983 174.2723 183 D 4.7328 9.3171 127.1547 53.8211 43.4688 176.8894 184 T 4.5520 7.5235 107.8512 58.8077 73.1043 174.7343 185 W 4.4914 8.4459 120.5667 60.0524 29.0682 178.5094 186 D 4.4724 8.2928 118.5504 57.4212 40.3071 178.2113 187 D 4.3928 8.1099 119.2225 57.6495 40.7578 178.3422 188 Y 4.2348 8.0366 119.8589 60.6326 38.7755 177.8243 189 R 3.7684 8.5393 120.0310 59.5857 29.9583 178.5583 190 R 3.9304 7.7051 116.4229 59.1475 30.1109 178.5588 191 L 4.1055 7.6500 118.9397 58.2957 42.2678 178.6387 192 L 4.1039 7.7238 117.7263 57.2924 42.6346 178.6026 193 E 4.4286 8.2466 119.6216 55.3097 27.0007 176.8407 194 S 4.2095 7.4760 118.5910 58.9438 64.1476 174.7363 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 2 T 8.17 4.29 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 1.21 0.00 0.00 3 A 8.74 3.93 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 4 T 8.45 4.87 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 1.24 0.00 0.00 5 Q 8.63 4.99 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.79 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 6 I 9.17 5.13 2.11 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.20 1.40 0.00 0.00 7 T 8.75 5.07 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 1.21 0.00 0.00 8 G 8.36 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 0.00 0.00 0.00 9 V 8.53 4.75 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 0.89 0.00 0.00 0.79 0.00 0.00 10 V 8.79 4.64 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 0.94 0.00 0.00 0.88 0.00 0.00 11 L 8.80 4.69 0.00 1.57 1.53 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.43 4.96 1.21 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 13 A 8.44 4.38 1.25 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 0.00 0.00 14 G 7.90 3.70 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 0.00 0.00 0.00 15 R 8.16 4.37 0.00 1.89 1.92 0.00 2.96 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 16 S 7.90 4.69 0.00 3.76 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 17 N 8.23 4.26 0.00 2.62 2.82 0.00 0.00 7.17 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 18 R 7.79 4.55 0.00 1.90 1.89 0.00 3.20 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 19 L 8.01 3.89 0.00 1.55 1.06 0.45 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 20 G 9.85 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 0.00 0.00 0.00 21 T 7.05 4.58 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 1.33 0.00 0.00 22 P 0.00 4.27 0.00 2.18 1.93 0.00 3.65 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 2.09 2.05 0.00 23 K 9.05 3.77 0.00 1.72 1.87 0.00 1.26 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.33 7.81 24 Q 8.09 3.97 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.89 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 25 L 7.60 4.57 0.00 1.52 1.67 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.61 4.12 0.00 1.45 1.24 0.30 0.77 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 27 P 0.00 4.84 0.00 2.24 2.09 0.00 3.86 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 2.16 2.16 0.00 28 Y 9.42 4.66 0.00 3.05 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 29 R 9.24 3.39 0.00 1.61 1.70 0.00 2.92 0.00 0.00 2.95 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.50 0.00 30 D 8.44 4.60 0.00 2.83 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 31 T 8.04 4.45 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 1.41 0.00 0.00 32 T 8.26 5.06 4.45 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 1.25 0.00 0.00 33 V 8.38 3.47 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 0.87 0.00 0.00 1.03 0.00 0.00 34 L 8.03 4.19 0.00 1.80 1.75 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.32 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.34 4.11 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 T 7.80 3.84 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 1.20 0.00 0.00 38 L 8.26 4.13 0.00 1.83 1.74 0.92 1.12 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 39 D 8.38 4.39 0.00 2.85 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 40 V 8.00 3.75 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.04 0.00 0.00 41 A 8.27 4.28 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 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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 2.24 2.28 0.00 *80 G 7.69 3.66 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 0.00 81 C 8.41 3.67 0.00 3.16 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 A 7.97 3.93 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.86 3.89 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 84 S 7.90 3.93 0.00 3.86 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 85 L 7.91 3.80 0.00 1.70 1.61 0.71 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 86 R 7.94 3.74 0.00 2.06 2.06 0.00 3.10 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 87 V 7.56 3.71 2.03 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 0.89 0.00 0.00 0.85 0.00 0.00 121 G 7.69 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 0.00 0.00 0.00 122 P 0.00 3.50 0.00 1.77 1.94 0.00 3.30 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.40 0.00 123 A 7.01 4.46 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 T 7.69 4.78 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 1.13 0.00 0.00 125 E 8.87 4.37 0.00 2.15 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 0.00 2.40 2.39 0.00 126 I 7.66 5.10 1.81 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 1.26 0.48 0.55 0.00 0.00 127 M 9.07 5.25 0.00 2.13 1.84 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.48 0.00 128 V 8.59 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 -0.01 0.00 0.00 0.92 0.00 0.00 129 C 8.70 4.88 0.00 3.12 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 R 8.96 4.76 0.00 1.87 1.76 0.00 3.17 0.00 0.00 3.24 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 131 Y 9.29 5.40 0.00 3.08 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 0.00 132 A 8.79 4.07 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 0.00 133 D 9.44 4.87 0.00 2.79 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 0.00 134 G 6.91 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 0.00 135 V 8.28 4.80 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 1.12 0.00 0.00 1.06 0.00 0.00 136 G 9.44 4.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 H 8.71 4.16 0.00 3.02 3.01 0.00 5.90 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 P 0.00 4.62 0.00 2.18 2.13 0.00 3.86 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 139 F 8.54 5.35 0.00 2.87 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 0.00 140 W 9.04 5.24 0.00 3.42 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 0.00 141 F 8.11 4.90 0.00 2.81 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 0.00 142 S 8.80 4.14 0.00 4.25 3.80 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 0.00 143 R 8.40 2.00 0.00 1.26 1.56 0.00 2.99 0.00 0.00 3.09 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.79 0.00 144 T 7.49 3.91 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 1.17 0.00 0.00 145 V 7.73 4.34 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 0.70 0.00 0.00 1.09 0.00 0.00 146 F 8.37 4.41 0.00 3.05 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 0.00 147 G 8.15 3.71 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 0.00 148 E 8.13 4.14 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 149 L 8.13 3.81 0.00 1.68 1.45 0.48 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 150 A 7.93 4.08 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 0.00 151 R 7.26 4.42 0.00 1.80 1.95 0.00 3.33 0.00 0.00 3.21 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.78 0.00 152 L 7.04 4.14 0.00 1.63 1.58 0.80 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 153 H 8.31 4.75 0.00 3.18 3.23 0.00 5.79 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 0.00 154 G 8.49 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 0.00 155 D 8.47 4.58 0.00 2.69 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 0.00 156 K 8.90 4.08 0.00 1.99 2.02 0.00 1.78 0.00 0.00 1.90 0.00 0.00 2.73 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.34 7.81 157 G 8.49 3.70 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 0.00 0.00 0.00 158 V 7.90 3.59 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 1.26 0.00 0.00 0.91 0.00 0.00 159 W 8.29 4.22 0.00 3.66 3.29 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 0.00 160 K 8.49 3.95 0.00 1.98 2.08 0.00 1.82 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.52 7.81 161 L 8.03 4.15 0.00 1.91 1.88 0.99 0.75 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 0.00 162 V 7.92 3.73 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 0.22 0.00 0.00 0.49 0.00 0.00 163 H 7.77 4.71 0.00 3.28 3.41 0.00 5.85 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 S 7.59 4.32 0.00 4.00 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 0.00 165 G 8.61 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 0.00 166 R 7.94 4.08 0.00 1.72 1.87 0.00 3.25 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 167 H 7.72 5.01 0.00 3.11 3.30 0.00 5.70 0.00 0.00 0.00 0.00 6.72 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 4.50 0.00 2.19 2.11 0.00 4.02 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 169 V 7.83 3.92 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 0.69 0.00 0.00 1.04 0.00 0.00 170 R 9.11 4.59 0.00 1.70 1.79 0.00 3.26 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 171 E 8.49 5.07 0.00 1.77 1.78 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 2.17 2.23 0.00 172 L 8.81 4.60 0.00 1.67 1.46 0.86 0.79 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 0.00 173 A 8.55 4.55 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 0.00 0.00 0.00 0.00 0.00 174 V 8.47 4.34 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 0.96 0.00 0.00 0.71 0.00 0.00 175 D 8.79 4.66 0.00 2.75 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.17 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 *178 V 8.37 2.90 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 0.84 0.00 0.00 1.10 0.00 0.00 179 P 0.00 4.15 0.00 2.14 1.92 0.00 3.46 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 180 L 7.51 4.10 0.00 1.63 1.58 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 181 D 8.38 4.54 0.00 2.62 2.57 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 0.00 0.00 0.00 0.00 182 V 8.36 4.25 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.92 0.00 0.00 183 D 9.32 4.73 0.00 2.59 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 0.00 184 T 7.52 4.55 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 1.18 0.00 0.00 185 W 8.45 4.49 0.00 3.49 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 D 8.29 4.47 0.00 2.75 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 0.00 187 D 8.11 4.39 0.00 2.95 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 0.00 188 Y 8.04 4.23 0.00 3.04 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 0.00 189 R 8.54 3.77 0.00 1.98 2.09 0.00 3.18 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 190 R 7.71 3.93 0.00 2.07 1.99 0.00 3.23 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.87 0.00 191 L 7.65 4.11 0.00 1.64 1.88 0.79 0.98 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 0.00 192 L 7.72 4.10 0.00 1.61 1.59 0.58 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 193 E 8.25 4.43 0.00 1.89 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 2.30 2.31 0.00 194 S 7.48 4.21 0.00 4.00 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 * Residues marked with a * may have inaccurate shift predictions.