NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 A 4.3204 8.2649 123.5806 51.6600 19.8151 176.4136 6 K 4.2333 8.4934 123.3034 55.2640 32.9466 175.2562 7 R 4.2591 9.0974 126.4572 55.1806 31.2090 174.1507 8 P 4.3931 0.0000 0.0000 62.6671 31.8334 176.1709 9 R 3.9780 8.5490 123.0509 57.2437 30.5956 175.2736 10 T 4.5901 8.0472 116.6780 61.0464 70.2943 172.6024 11 R 4.6534 8.4297 124.4677 54.3781 31.9159 175.7694 12 L 4.8766 8.1710 121.9865 51.7582 45.9167 177.1640 13 S 4.3634 8.4054 116.4527 57.7725 65.1215 173.4584 14 P 4.7012 0.0000 0.0000 65.3283 31.0992 178.7490 15 L 4.0271 7.9148 118.4658 58.0262 42.0406 179.0155 16 K 4.0172 7.6237 119.0644 59.1589 31.9374 179.4081 17 R 3.7092 8.0818 119.1716 59.0637 29.7828 178.2499 18 K 3.3614 7.3856 118.1088 59.4694 32.2041 177.8247 19 Q 4.1130 7.6963 118.1193 59.4349 29.2077 178.0113 20 Q 4.1466 8.1653 120.3416 58.9911 29.1215 179.4732 21 L 3.9851 8.1885 120.6459 54.7557 41.7493 179.1064 *23 E 4.3127 8.2291 120.1168 56.6286 31.7845 178.6689 24 I 3.7015 7.8155 119.3102 64.1708 37.0595 178.2022 25 A 3.5337 8.0229 121.7636 55.0327 18.0775 179.7506 26 L 4.1648 7.6595 117.0105 57.7454 41.8207 179.1461 27 E 3.5656 7.9718 118.8575 59.0726 29.6247 178.8554 28 V 3.4695 7.8520 118.6130 66.1609 31.4611 178.0060 29 F 4.7646 8.2528 117.5084 60.7637 38.5657 177.6132 30 A 4.0873 8.4953 119.6087 54.7265 18.1574 179.3763 31 R 4.1950 7.8484 115.6181 58.7695 30.8260 178.6014 32 R 4.2846 8.3101 116.1545 55.8767 31.2927 177.3025 33 G 4.4113 7.8087 106.2447 45.3164 0.0000 174.9174 34 I 2.5783 8.3217 121.9329 63.6103 37.0424 177.7657 35 G 3.6268 7.5983 106.3909 46.5511 0.0000 173.9123 36 R 4.3578 7.6457 117.6158 57.6488 31.5940 177.3483 37 G 4.0381 8.1618 104.6229 45.5967 0.0000 173.4557 38 G 4.0140 8.2321 107.8243 44.2046 0.0000 173.6338 39 H 3.8962 9.1623 115.3013 58.8167 28.6487 177.1770 40 A 4.0226 8.0080 121.9249 55.5454 18.3551 179.3539 41 D 4.3096 7.9878 116.7645 57.3271 40.8718 179.0501 42 I 3.5395 7.5368 119.7293 64.2639 37.2879 177.9806 43 A 3.9991 8.3159 122.0685 55.4425 18.1568 179.3181 44 E 3.8924 8.2722 117.4216 59.6079 29.6553 179.1585 45 I 3.7815 7.7730 119.5423 64.0237 36.9836 177.9765 46 A 3.6992 8.1288 120.4248 52.2609 19.0248 176.9325 47 Q 3.5001 7.6501 114.2895 57.6927 26.2880 173.2130 48 V 4.5916 7.4379 108.7916 58.5855 35.6068 176.9223 49 S 4.3768 8.3242 115.9467 58.4238 64.8316 175.3954 50 V 3.7234 8.5114 122.2350 66.2606 31.0509 178.2215 51 A 4.1849 8.0835 119.3791 55.4157 18.6566 179.2513 52 T 4.0644 8.0672 114.2182 66.8338 68.5111 176.8701 53 V 3.8546 7.7733 119.8760 66.3954 31.4375 178.1247 54 F 4.6223 8.5492 118.2973 59.5859 38.4276 177.1219 55 N 4.2502 7.9778 116.4496 56.7830 38.9117 175.8909 56 Y 4.1709 7.8544 117.1445 58.5428 39.2028 174.4200 57 F 5.1318 8.4040 119.4122 53.8231 39.3254 173.2131 58 P 4.8089 0.0000 0.0000 64.6519 31.5963 177.9087 59 T 5.0132 7.9208 106.2293 58.7407 73.2062 174.5534 60 R 4.0183 8.7791 121.4977 59.9992 30.0355 178.3859 61 E 4.1029 8.3736 117.6528 59.6767 29.4551 179.0269 62 D 4.4781 8.2057 118.3733 57.1925 40.9418 178.5134 63 L 3.8013 8.0192 120.6094 58.1466 42.1344 179.1376 64 V 3.7780 8.3054 118.5452 66.1618 31.4997 177.3215 65 D 4.4019 8.3768 117.7242 57.6696 41.0646 178.2161 66 E 4.1135 8.4058 118.9801 59.1642 29.3938 179.5087 67 V 3.7522 8.1261 118.5421 65.8542 31.6770 177.6697 68 L 3.3472 8.0390 120.0158 58.3104 41.8149 178.8149 69 N 4.2911 8.2366 116.2198 56.3069 38.3752 176.9613 70 H 4.0547 8.3285 119.7281 59.5142 30.0259 177.8624 71 V 3.8627 8.2141 114.3686 64.3498 31.3815 178.7246 72 V 3.7990 8.0973 118.1694 66.0803 31.4476 178.0508 73 R 3.7970 7.9143 118.3635 59.5314 29.9043 178.4757 74 Q 3.4013 7.7960 117.8051 58.6622 28.3907 178.6369 75 F 3.9490 8.1536 122.0088 61.1148 39.2142 177.3635 76 S 4.4282 8.1368 116.3608 61.0993 62.6075 176.4124 77 N 4.2029 7.7975 118.5999 56.0886 38.1344 177.0526 78 F 4.0249 8.0183 121.9911 61.4486 39.3597 177.2226 79 L 3.5473 7.8544 118.7296 57.7511 41.1266 179.7350 80 S 3.9995 7.9853 114.5479 61.6308 62.8086 176.2196 81 D 4.4010 7.9678 120.5192 56.1964 40.6144 176.8666 82 N 4.6701 7.1014 114.8397 53.2454 40.8012 175.1363 83 I 3.8313 7.5615 119.8943 60.8752 37.7494 175.1454 84 D 4.5970 9.5484 124.6515 52.0040 41.9551 175.9360 85 L 4.0982 8.3287 126.7388 56.9162 41.8429 178.5436 86 D 4.4548 8.3774 118.1651 56.1087 41.0909 176.9297 87 L 4.2458 7.3799 118.6164 53.8605 42.6402 176.9528 88 H 4.2546 8.6308 117.2638 56.4846 30.0717 176.1066 89 A 3.9111 8.7183 127.6791 55.4298 18.2730 179.8958 90 K 3.8683 8.1113 117.3368 59.7636 32.1647 178.4271 91 E 3.9679 8.1281 119.0391 59.1535 29.7113 178.0499 92 N 4.2634 8.2236 117.1511 56.8522 39.0523 176.9768 93 I 3.8863 8.0315 121.0551 64.2067 37.1743 178.3540 94 A 4.0990 8.2723 121.8000 55.1198 18.2060 179.3728 95 N 4.2997 8.5542 115.3766 56.5561 38.4520 177.5659 96 I 3.7462 7.6435 119.7812 64.7499 37.3703 178.3017 97 T 4.2354 8.0397 109.0323 65.1399 68.6977 175.9542 98 N 4.5771 8.5211 119.1901 55.5738 38.3487 177.5514 99 A 4.1968 8.2088 120.4918 52.5842 18.3143 179.3686 *101 I 4.0499 7.7196 122.9343 63.1254 39.4534 178.0987 102 E 3.9653 8.1345 119.2318 59.5436 29.2525 179.4041 103 L 4.2126 7.6495 120.3308 57.3085 41.7575 179.8833 104 V 3.5690 7.6532 117.6557 65.9027 31.3300 178.1505 105 V 3.6118 7.9560 117.6892 65.7574 31.4871 177.4437 106 Q 4.0602 8.3709 115.9656 55.7346 29.5019 174.9503 107 D 4.2147 7.6628 118.1611 55.1169 39.9267 174.3051 108 N 4.4942 8.1325 117.8699 53.1326 39.2785 176.5609 109 H 4.4517 8.9147 122.0471 58.6245 28.8339 177.6726 110 W 4.4944 8.3174 118.1311 59.6944 27.8355 177.9679 111 L 3.4172 6.5930 120.6369 57.2795 41.3510 178.6130 112 K 4.1433 7.7772 119.4113 59.6440 32.2104 178.9227 113 V 3.7481 8.0299 118.4876 65.7350 31.4402 177.6025 114 W 4.3335 8.9485 128.5314 60.6844 30.3604 177.8065 115 F 3.8359 8.3233 117.6386 59.9074 38.4363 176.8321 116 E 4.1683 8.5232 119.1380 59.2213 29.5094 178.7480 117 W 3.9035 8.2841 128.5466 60.2728 30.9054 178.1168 118 S 2.7900 7.5491 114.0934 59.7547 61.7986 175.2445 119 A 4.2199 6.7808 122.2281 50.7119 19.3379 176.9735 120 S 4.1400 7.2053 113.3727 58.7910 62.9046 174.0501 121 T 4.4509 8.2225 114.5814 61.1482 69.8230 174.1539 122 R 4.1748 8.0042 123.7249 56.2634 30.4101 177.1083 123 D 4.4989 8.8666 123.6620 57.3020 40.9305 177.7189 124 E 4.3245 7.9863 114.8262 56.4276 30.3250 176.2795 125 V 4.2877 7.9177 117.7138 64.3502 33.0509 177.3475 126 W 4.4504 8.0727 115.8243 59.3592 27.8971 176.2059 127 P 3.9343 0.0000 0.0000 64.8916 30.6305 178.5662 128 L 3.9058 7.5666 118.0504 57.7363 41.5830 179.1515 129 F 3.7201 8.2691 120.0351 61.2307 39.0983 177.0580 130 V 3.6105 8.0676 116.7667 66.2481 31.7518 177.8257 131 T 3.9621 7.9552 115.3363 67.1547 68.1417 176.8665 132 T 3.8235 7.4777 116.0575 66.3335 68.8105 175.8073 133 N 4.3731 7.9582 117.2539 54.0956 38.8026 176.2247 134 R 3.8749 7.6366 119.9947 61.0100 30.0045 178.3008 135 T 3.9507 7.8408 114.6481 66.4995 68.3516 176.2697 136 N 4.4403 8.1912 118.0386 56.4018 38.6100 176.8901 137 Q 4.1233 8.2713 120.7897 59.4411 29.1168 178.4309 138 L 4.0167 8.3989 120.3211 57.6702 41.3713 179.3147 139 L 3.9362 8.0051 119.7179 58.1197 42.1151 178.9847 140 V 3.7174 7.6490 116.8769 66.0272 31.3572 177.5072 141 Q 4.3876 8.4680 118.1455 59.0079 28.7024 179.5671 142 N 4.1742 8.2782 117.0165 54.0654 39.2962 176.3895 *144 F 4.6549 8.1316 119.2091 57.0516 41.4830 177.5402 145 I 3.7445 8.2257 121.7557 64.3311 36.8387 178.2502 146 K 3.8712 7.8825 118.4784 59.5679 31.9291 179.1558 147 A 4.2593 7.8204 121.4878 54.7435 18.3541 179.3896 148 I 3.7392 8.3607 118.6730 64.8586 37.0022 178.5816 149 E 4.0683 8.2070 118.0278 59.1094 29.3746 178.7030 150 R 4.3806 7.9534 115.3663 55.4537 30.3185 176.9200 151 G 4.0469 7.6460 106.0956 45.7989 0.0000 175.2456 152 E 4.2491 8.3213 121.8306 58.1324 29.8775 177.2153 153 V 4.6468 7.5407 110.5415 58.6766 35.6320 174.1365 154 C 3.8184 8.9541 120.6572 60.3305 31.3534 174.0720 155 D 4.7257 8.8018 124.6312 54.7356 39.0098 176.5013 156 Q 4.4367 7.6734 117.6163 56.2058 29.6081 175.5775 157 H 4.3707 7.9205 115.7562 55.7865 29.4459 174.5688 158 N 4.9497 8.4657 119.8253 51.3536 41.1338 174.1843 159 P 4.3020 0.0000 0.0000 65.7309 31.5810 178.6412 160 E 4.2141 8.2427 119.5196 59.0750 29.5471 178.7309 161 D 4.3533 7.5353 119.2680 57.4486 40.7973 178.9658 162 L 3.6652 8.1097 119.4265 57.3901 41.4077 179.4502 163 A 4.1682 7.9475 120.9691 55.0803 18.2262 179.5105 164 N 4.3591 8.1382 114.7930 56.2754 38.6147 177.0419 165 L 3.9132 7.9151 121.8093 58.3605 42.0212 178.6201 166 F 4.2750 8.4595 120.4959 61.8396 39.3325 176.5267 167 H 4.2268 8.7922 117.7527 59.2156 29.8152 177.2107 168 G 3.7391 8.4283 107.7506 48.0541 0.0000 175.6858 169 I 3.8214 8.2070 122.7379 64.2232 37.1282 178.0663 170 C 4.0336 8.1867 117.9776 63.2706 27.9926 175.6985 171 Y 3.8114 8.6111 121.1439 60.7620 38.4560 178.1575 172 S 4.2267 8.2271 113.6957 61.3463 62.4217 176.1685 173 L 3.9434 8.0402 121.8787 57.3953 41.3473 178.8827 174 F 3.7420 8.2714 121.1628 61.2064 38.8448 177.2116 175 V 2.9717 7.1829 115.9572 66.1274 31.6038 177.4899 176 Q 3.9937 7.7738 117.0615 59.0629 28.3427 179.0077 177 A 3.9716 7.8665 120.6008 54.5815 18.4429 178.8972 178 N 4.2355 7.3982 113.9059 55.1182 38.7103 176.6618 179 R 4.3439 7.4304 117.8127 55.8752 31.2113 175.8615 180 T 4.6319 6.8911 111.0011 60.6214 70.4928 172.7643 181 N 4.6839 8.4092 121.0710 53.1567 39.8710 176.0056 182 N 4.5065 7.8460 117.7896 53.8866 37.8888 174.8275 183 T 3.9825 8.2346 118.2841 63.8371 69.3636 176.3392 184 A 4.0364 7.9770 123.8560 55.1646 18.4972 179.2502 185 E 3.9464 8.4629 117.2056 59.3356 29.4663 179.5552 186 L 3.9155 7.9112 119.1900 57.8067 41.7166 179.5971 187 S 4.3823 8.3740 116.8421 60.9373 62.6813 176.6954 188 K 3.9109 7.9197 121.8940 59.3457 31.8717 178.6197 189 L 3.7212 7.9004 120.6559 57.8364 41.9050 178.7451 190 V 3.4950 7.7380 118.3417 66.3923 31.3538 178.1433 191 S 4.1484 7.9580 114.2733 61.7574 62.4900 176.9031 192 S 4.1766 8.0397 116.6097 61.8943 62.6751 176.1463 193 Y 4.4438 8.2623 118.4445 61.3047 37.7450 178.4230 194 L 4.2711 8.0825 118.6072 57.4873 42.0855 179.3139 195 D 4.5801 8.1187 119.8836 53.1843 40.7552 176.2104 *197 L 4.1071 7.2007 117.3709 54.9018 43.4161 177.9243 198 C 4.2466 8.2880 119.1241 58.9822 26.4606 172.8192 199 I 4.7678 6.9651 120.0749 59.5169 39.8536 175.6055 200 Y 4.8054 9.1185 123.9591 55.8805 41.2356 175.2030 201 K 4.4107 8.6781 123.6701 55.4301 32.7955 176.8643 202 R 4.1172 8.8769 124.2357 56.3560 30.6102 176.0606 203 E 4.0910 8.7393 118.7836 56.8702 30.6372 174.6956 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 5 A 8.26 4.32 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.49 4.23 0.00 1.74 1.90 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.62 1.50 7.81 7 R 9.10 4.26 0.00 1.92 1.82 0.00 3.32 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 8 P 0.00 4.39 0.00 2.11 2.05 0.00 3.83 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 1.99 1.98 0.00 9 R 8.55 3.98 0.00 1.80 1.89 0.00 3.26 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 10 T 8.05 4.59 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 11 R 8.43 4.65 0.00 1.82 1.83 0.00 3.21 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 12 L 8.17 4.88 0.00 1.56 1.50 0.90 0.95 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 13 S 8.41 4.36 0.00 4.07 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.70 0.00 2.26 2.33 0.00 3.91 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 2.16 2.11 0.00 15 L 7.91 4.03 0.00 1.78 1.67 0.93 0.56 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 16 K 7.62 4.02 0.00 2.13 1.83 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.59 7.81 17 R 8.08 3.71 0.00 1.85 1.84 0.00 3.07 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.03 0.00 18 K 7.39 3.36 0.00 1.72 1.94 0.00 1.35 0.00 0.00 1.54 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.48 7.81 19 Q 7.70 4.11 0.00 2.22 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.72 0.00 0.00 0.00 0.00 0.00 2.52 2.40 0.00 20 Q 8.17 4.15 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.92 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 21 L 8.19 3.99 0.00 1.93 1.79 0.83 0.89 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 *23 E 8.23 4.31 0.00 2.21 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 0.00 2.35 2.48 0.00 24 I 7.82 3.70 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 1.42 0.71 0.81 0.00 0.00 25 A 8.02 3.53 1.01 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 0.00 0.00 26 L 7.66 4.16 0.00 1.98 1.92 1.06 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 27 E 7.97 3.57 0.00 1.96 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 2.20 2.12 0.00 28 V 7.85 3.47 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.79 0.00 0.00 29 F 8.25 4.76 0.00 3.17 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 30 A 8.50 4.09 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 31 R 7.85 4.19 0.00 1.80 1.98 0.00 3.31 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 32 R 8.31 4.28 0.00 1.88 2.01 0.00 3.20 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 33 G 7.81 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 0.00 0.00 0.00 0.00 34 I 8.32 2.58 0.83 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 -0.15 -0.93 0.00 0.00 35 G 7.60 3.63 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 0.00 0.00 0.00 36 R 7.65 4.36 0.00 1.92 1.98 0.00 3.31 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.89 0.00 37 G 8.16 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 0.00 0.00 0.00 38 G 8.23 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 H 9.16 3.90 0.00 3.10 3.21 0.00 5.83 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 40 A 8.01 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 41 D 7.99 4.31 0.00 2.60 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 42 I 7.54 3.54 1.85 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 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0.00 1.02 0.00 0.00 51 A 8.08 4.18 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 52 T 8.07 4.06 4.53 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 1.44 0.00 0.00 53 V 7.77 3.85 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.09 0.00 0.00 54 F 8.55 4.62 0.00 3.35 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 55 N 7.98 4.25 0.00 2.90 2.57 0.00 0.00 7.19 7.28 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 56 Y 7.85 4.17 0.00 2.83 2.27 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 57 F 8.40 5.13 0.00 2.95 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.81 0.00 2.28 2.30 0.00 3.42 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 1.99 0.00 59 T 7.92 5.01 4.52 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 1.32 0.00 0.00 60 R 8.78 4.02 0.00 2.01 2.07 0.00 3.25 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.84 0.00 61 E 8.37 4.10 0.00 2.17 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 0.00 2.45 2.53 0.00 62 D 8.21 4.48 0.00 3.08 2.91 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 63 L 8.02 3.80 0.00 1.54 1.84 0.01 0.64 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 64 V 8.31 3.78 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 1.20 0.00 0.00 0.96 0.00 0.00 65 D 8.38 4.40 0.00 2.92 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 66 E 8.41 4.11 0.00 2.41 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 2.46 2.68 0.00 67 V 8.13 3.75 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 A 6.78 4.22 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 0.00 120 S 7.21 4.14 0.00 3.90 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 T 8.22 4.45 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 1.09 0.00 0.00 122 R 8.00 4.17 0.00 1.91 2.11 0.00 3.10 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 123 D 8.87 4.50 0.00 2.66 2.75 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 0.00 124 E 7.99 4.32 0.00 1.89 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 125 V 7.92 4.29 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 1.09 0.00 0.00 0.88 0.00 0.00 126 W 8.07 4.45 0.00 3.64 3.48 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 0.00 127 P 0.00 3.93 0.00 1.77 1.54 0.00 3.03 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.44 0.00 128 L 7.57 3.91 0.00 1.87 1.71 1.03 0.87 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 0.00 129 F 8.27 3.72 0.00 2.99 3.28 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 0.00 130 V 8.07 3.61 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 nan 0.00 0.00 131 T 7.96 3.96 4.31 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 1.16 0.00 0.00 132 T 7.48 3.82 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 133 N 7.96 4.37 0.00 1.50 2.10 0.00 0.00 6.80 7.40 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 0.00 134 R 7.64 3.87 0.00 2.16 1.97 0.00 3.21 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 135 T 7.84 3.95 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 0.00 136 N 8.19 4.44 0.00 3.22 3.24 0.00 0.00 6.77 7.35 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 0.00 137 Q 8.27 4.12 0.00 2.24 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.67 0.00 138 L 8.40 4.02 0.00 1.89 1.73 0.93 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 139 L 8.01 3.94 0.00 1.95 1.91 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 140 V 7.65 3.72 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.20 0.00 0.00 141 Q 8.47 4.39 0.00 2.35 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.85 0.00 0.00 0.00 0.00 0.00 2.61 2.66 0.00 142 N 8.28 4.17 0.00 2.87 2.96 0.00 0.00 7.22 7.94 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 *144 F 8.13 4.65 0.00 3.35 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 0.00 145 I 8.23 3.74 2.04 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 1.58 0.89 0.94 0.00 0.00 146 K 7.88 3.87 0.00 1.82 1.83 0.00 1.51 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.43 1.50 7.81 147 A 7.82 4.26 1.40 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 0.00 0.00 148 I 8.36 3.74 2.14 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 1.64 1.43 0.97 0.00 0.00 149 E 8.21 4.07 0.00 2.10 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 2.37 2.68 0.00 150 R 7.95 4.38 0.00 1.83 1.99 0.00 3.43 0.00 0.00 3.23 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 151 G 7.65 4.05 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 0.00 152 E 8.32 4.25 0.00 2.26 2.11 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 2.60 2.35 0.00 153 V 7.54 4.65 2.26 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 1.15 0.00 0.00 1.11 0.00 0.00 154 C 8.95 3.82 0.00 2.99 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 D 8.80 4.73 0.00 2.84 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 Q 7.67 4.44 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 7.05 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 157 H 7.92 4.37 0.00 3.32 3.23 0.00 5.62 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 N 8.47 4.95 0.00 2.75 2.67 0.00 0.00 6.72 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 0.00 159 P 0.00 4.30 0.00 2.39 2.49 0.00 3.79 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 160 E 8.24 4.21 0.00 2.24 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 0.00 2.43 2.59 0.00 161 D 7.54 4.35 0.00 3.01 2.68 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 0.00 162 L 8.11 3.67 0.00 1.06 0.35 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 163 A 7.95 4.17 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 N 8.14 4.36 0.00 2.95 2.88 0.00 0.00 6.60 6.13 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 0.00 165 L 7.92 3.91 0.00 1.71 1.79 0.90 0.71 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 0.00 166 F 8.46 4.28 0.00 3.44 3.52 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 0.00 167 H 8.79 4.23 0.00 3.54 3.58 0.00 5.85 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 0.00 168 G 8.43 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 0.00 169 I 8.21 3.82 2.04 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.69 1.13 0.00 0.00 170 C 8.19 4.03 0.00 3.18 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 0.00 171 Y 8.61 3.81 0.00 3.13 3.09 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 0.00 172 S 8.23 4.23 0.00 4.09 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 0.00 173 L 8.04 3.94 0.00 1.90 1.65 1.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 174 F 8.27 3.74 0.00 1.78 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 0.00 0.00 0.00 0.00 175 V 7.18 2.97 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 0.80 0.00 0.00 0.87 0.00 0.00 176 Q 7.77 3.99 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 177 A 7.87 3.97 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 0.00 178 N 7.40 4.24 0.00 2.41 2.61 0.00 0.00 6.92 7.74 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 0.00 179 R 7.43 4.34 0.00 1.69 1.89 0.00 3.04 0.00 0.00 3.08 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.67 0.00 180 T 6.89 4.63 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 1.17 0.00 0.00 181 N 8.41 4.68 0.00 2.69 2.78 0.00 0.00 6.90 8.00 0.00 0.00 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 N 7.85 4.51 0.00 2.75 2.70 0.00 0.00 6.86 7.16 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 0.00 183 T 8.23 3.98 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 1.21 0.00 0.00 184 A 7.98 4.04 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 0.00 185 E 8.46 3.95 0.00 2.14 1.96 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 2.30 2.52 0.00 186 L 7.91 3.92 0.00 1.78 1.64 0.89 0.83 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 0.00 0.00 187 S 8.37 4.38 0.00 3.92 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 0.00 188 K 7.92 3.91 0.00 1.94 1.93 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.43 7.81 189 L 7.90 3.72 0.00 1.79 1.58 0.76 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 190 V 7.74 3.49 2.25 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 1.03 0.00 0.00 0.97 0.00 0.00 191 S 7.96 4.15 0.00 4.06 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 0.00 192 S 8.04 4.18 0.00 4.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 Y 8.26 4.44 0.00 3.09 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 0.00 194 L 8.08 4.27 0.00 1.68 1.80 1.05 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 195 D 8.12 4.58 0.00 2.89 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *197 L 7.20 4.11 0.00 1.67 1.65 1.01 0.98 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 0.00 198 C 8.29 4.25 0.00 3.04 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 0.00 199 I 6.97 4.77 1.83 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.61 1.02 0.00 0.00 200 Y 9.12 4.81 0.00 2.81 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 0.00 201 K 8.68 4.41 0.00 1.75 1.74 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.14 7.81 202 R 8.88 4.12 0.00 2.01 1.99 0.00 3.23 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 203 E 8.74 4.09 0.00 2.04 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 0.00 2.24 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.