NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 K 4.2466 8.2993 122.1205 54.3141 32.6053 174.5457 9 I 4.7569 9.0374 119.0846 57.3545 41.0833 169.0386 10 V 4.5524 9.3144 125.4650 61.5644 33.0616 176.6562 11 L 4.3946 8.7795 127.2826 55.9049 42.3226 176.9674 12 Q 4.6635 7.7173 116.2693 53.1023 33.3472 174.8114 13 P 4.7317 0.0000 0.0000 62.9159 31.6612 178.0696 14 R 4.8043 8.2895 111.9167 55.8315 29.5189 176.9861 15 S 4.6460 7.9200 113.6656 57.7777 65.1375 174.9938 16 I 4.4569 8.3118 124.2525 61.4628 37.5469 175.7451 17 V 4.7935 9.5510 126.9307 60.0413 35.4469 174.5087 18 V 4.8309 8.2266 119.6021 60.3666 35.5510 172.7374 19 P 4.6017 0.0000 0.0000 64.2777 31.5423 177.1943 20 G 3.8469 9.1760 110.9772 45.3126 0.0000 172.6769 21 E 4.3096 7.9788 121.9337 55.0471 30.8944 175.3413 22 L 4.0407 8.6321 129.7124 55.4977 42.2596 175.9956 23 L 3.8059 8.8948 126.9389 56.1984 43.6414 176.4864 24 A 4.6620 6.9358 116.3443 51.0733 22.4296 175.1587 25 E 5.1615 9.3197 119.6270 55.6951 33.4444 175.4948 26 G 4.0069 9.3790 109.6804 44.5635 0.0000 173.9322 27 E 4.5224 8.3687 118.9168 55.2399 28.5030 176.2560 28 F 4.6048 8.7170 122.3860 56.4057 40.9694 177.3286 29 Q 4.4660 8.2806 123.8049 54.8042 27.2870 175.8402 30 I 3.9317 7.3108 118.7809 59.7143 38.5074 175.0482 31 P 4.4031 0.0000 0.0000 61.7492 31.8439 175.9436 32 W 4.3061 8.8644 130.9515 58.2485 30.7235 175.1229 33 S 3.8737 7.4728 118.4927 55.2372 64.8048 172.7367 34 P 3.7857 0.0000 0.0000 64.7688 31.4145 176.5226 35 Y 5.1028 6.7498 115.4239 57.7961 38.3296 174.6768 36 I 5.1156 7.2397 120.3729 59.3789 40.9779 174.3382 37 L 4.6958 9.4520 129.4480 53.2420 44.0642 174.7109 38 K 4.5937 8.7432 127.9938 55.1095 33.5739 175.6771 39 I 4.3956 8.8670 128.1488 60.2070 39.3305 175.3074 40 N 4.2553 9.9122 125.1432 54.2753 36.2438 175.4733 41 S 4.2949 8.2243 108.7665 58.0322 61.6603 167.7810 42 K 5.0144 8.0498 120.6621 55.1793 34.7313 174.6652 43 Y 5.1189 8.9380 121.3273 56.4524 40.9299 174.3909 44 Y 5.2470 9.1536 121.6221 55.7701 42.0435 175.2097 45 S 4.8358 8.9945 118.1302 59.0368 63.6411 174.4949 46 T 4.5698 9.0079 115.6348 62.0887 69.9758 174.1267 47 V 4.8414 7.7624 114.5059 59.4779 36.6177 175.0822 48 V 3.8707 8.4036 122.1806 63.5008 32.4288 175.1962 49 G 4.4120 9.1491 114.7510 45.8005 0.0000 170.5262 50 L 5.3028 8.8768 122.5815 52.9913 44.5254 175.6052 51 F 5.0229 9.6351 132.6041 58.8037 40.6162 174.3948 52 D 4.8626 8.7155 126.5845 51.8270 43.9517 171.3291 53 V 4.2824 8.1630 125.0644 60.9599 33.1368 175.7651 54 K 4.4703 8.4471 129.4180 53.3982 34.6319 172.6901 55 D 4.3607 8.2670 127.2110 55.1339 39.7652 177.1791 56 T 4.1795 8.6324 117.2031 64.7491 69.3981 174.7481 57 Q 4.1505 7.6211 121.6267 55.2965 30.2214 173.7833 58 F 5.1665 7.0705 112.6559 56.5209 41.0466 172.5855 59 E 4.8642 9.7758 117.3020 55.2877 33.6113 173.8668 60 V 4.8081 8.3942 119.4282 61.2083 33.8249 174.6229 61 I 4.1570 8.9840 130.0993 59.2832 38.1678 173.5640 62 P 4.4117 0.0000 0.0000 62.7276 31.4878 176.4393 63 L 4.4028 8.6044 122.9034 54.5858 42.1475 176.0739 64 E 4.5151 7.9638 118.7088 54.2867 32.6800 172.3841 65 G 3.0647 8.3148 110.8761 44.3759 0.0000 173.1710 66 S 4.4086 8.5040 121.6166 58.8648 63.1754 173.6100 67 F 5.1880 7.5908 114.5033 55.8734 40.0081 174.4211 68 Y 4.7526 9.2250 122.5243 56.4444 40.7754 173.5448 69 Y 4.5385 8.1356 127.7200 55.1874 39.8479 173.3939 70 P 3.6688 0.0000 0.0000 63.2413 31.9392 176.6033 71 K 4.7613 8.2510 122.8217 52.3082 35.6674 173.7589 72 I 4.0790 8.5009 125.7088 63.0307 37.5246 176.8610 73 N 4.4736 9.3860 120.3511 52.5506 36.1511 172.7972 74 D 4.6866 7.9849 121.9540 55.8653 42.2210 176.3877 75 I 4.5326 8.5578 124.2729 60.3386 36.7034 171.9801 76 V 4.6993 9.3811 127.6024 58.6421 35.0302 174.7789 77 I 4.8545 7.8960 116.0531 59.4594 39.0234 174.9096 78 G 4.3393 9.4865 114.4255 44.2300 0.0000 170.6396 79 L 5.0226 8.6718 123.2789 52.8506 44.1942 175.7580 80 V 4.0472 9.0206 127.5939 63.6131 31.9900 175.4407 81 E 4.3180 9.3954 127.8473 57.7776 30.6562 175.7810 82 D 5.0035 7.9489 117.5689 52.2421 45.5588 174.4175 83 V 4.4977 8.4724 125.0178 60.6470 32.3549 175.8352 84 E 4.4309 8.9683 126.0877 55.3108 31.1195 175.9870 85 I 3.6652 8.5178 115.9335 64.6500 35.7067 174.0479 *86 Y 4.7034 7.5627 115.9222 55.9631 38.6919 177.6931 87 G 4.0889 7.2233 107.6261 47.4967 0.0000 172.6244 *88 W 5.1954 7.6564 122.4516 54.9164 32.3812 170.8469 89 V 4.5678 8.7160 125.4221 61.1499 32.6321 174.8467 90 V 4.8277 9.3308 127.9701 61.0844 34.9064 173.5332 91 D 4.9676 9.3685 128.6251 52.9683 42.1166 176.4571 92 I 4.6278 8.2208 119.6161 60.4403 38.3041 175.8714 93 K 3.9508 9.2496 119.5159 58.0476 30.6034 174.9426 94 A 5.6612 7.1526 119.3567 48.4568 21.1408 176.9094 95 P 3.9481 0.0000 0.0000 64.2410 31.4511 176.5862 96 Y 4.8402 7.0133 115.7248 55.6777 40.5678 175.3190 97 K 4.4142 8.7678 123.5550 56.2414 32.9591 176.7806 98 A 4.7642 9.1048 127.0901 51.7394 20.5325 175.3884 99 Y 5.0387 9.0012 120.6529 55.6548 42.2969 174.1431 100 L 4.7289 8.2966 129.0250 52.3861 44.0373 173.8708 101 P 4.3987 0.0000 0.0000 62.3909 32.2585 177.6064 102 A 3.9689 8.7177 125.4212 55.3206 18.2026 180.1423 103 S 4.6379 8.0954 113.5888 60.9984 62.5989 176.2114 104 N 4.2446 8.0076 119.2126 56.3846 38.9674 175.9761 105 L 4.0820 7.3824 120.0589 58.4311 42.2893 178.7868 106 L 4.1870 8.3919 117.7747 55.5627 41.6760 177.7109 107 G 3.8074 8.9887 106.1682 46.1235 0.0000 172.9235 108 R 4.3158 7.3535 117.1650 55.9895 31.7599 174.2142 109 S 4.3720 8.4882 114.0901 57.8703 62.7414 170.2364 110 I 3.9865 8.0846 122.5750 60.3720 37.2472 175.5750 111 N 4.6157 8.4569 125.3971 52.1457 39.1782 175.1695 112 V 3.7126 8.3811 119.2721 63.2948 31.2456 176.1429 113 G 4.0093 8.6459 114.0472 46.1408 0.0000 172.3091 114 E 4.1944 7.9188 120.7000 56.2086 30.7959 176.6814 115 D 4.6142 9.1694 126.3799 53.6772 38.9455 173.7609 116 L 4.8544 8.1355 116.7136 56.8648 48.7052 177.1716 117 R 4.6948 7.5097 117.2887 56.1983 30.8682 179.3087 118 R 4.1551 8.4185 123.1832 60.7552 29.9035 181.2384 *119 Y 4.2177 7.8895 115.5368 58.9489 37.2467 178.2414 120 L 4.6760 7.6930 120.8598 53.4717 45.6657 176.4573 121 D 4.8970 8.8229 121.9651 50.7032 42.5277 172.6273 122 V 3.9863 7.9707 117.2538 65.6740 31.7435 176.2831 123 G 3.8833 8.8394 116.0772 45.0261 0.0000 173.1828 124 D 4.5809 7.6755 120.2911 54.2155 42.1490 175.5786 125 Y 4.8691 8.5188 120.1576 57.8354 39.8501 174.5388 126 V 4.8683 9.4413 122.9372 61.2612 35.2710 174.1404 127 I 4.8490 8.9407 128.5207 60.3325 38.7403 174.6622 128 A 4.9083 9.6306 129.8850 51.6585 23.0728 176.1909 129 R 4.8911 8.8882 121.0230 56.0110 32.1310 176.5793 130 I 4.5174 8.3838 123.8569 61.4585 37.0181 177.1443 131 E 4.2367 9.0149 126.8602 58.8809 30.6435 174.3330 132 N 5.0673 7.8743 116.2624 52.6475 42.7061 173.4645 133 F 4.8053 8.4935 126.5033 58.3740 42.4494 173.4795 134 D 4.3446 7.6191 124.4020 54.0685 42.7509 173.4215 *138 D 4.5215 7.8288 116.9813 52.9513 42.1376 173.2528 139 P 4.8511 0.0000 0.0000 63.1238 32.7434 175.0286 140 V 4.7002 9.2644 125.6341 61.6883 32.8915 175.1506 141 L 5.1220 9.1954 128.3997 53.9435 43.5822 175.9787 142 S 4.8288 9.3535 117.4608 57.0886 66.1682 175.3599 143 V 4.6115 8.7629 125.8282 61.1002 32.4751 177.1425 144 K 4.1412 7.8737 123.5258 58.4375 31.6636 180.9618 145 G 3.9119 8.0302 109.6511 45.6663 0.0000 173.7656 146 K 4.0635 8.3514 123.1433 56.0372 32.3500 179.7576 147 D 4.7473 8.6522 117.6439 53.5848 38.6288 175.5436 148 L 4.3195 7.3713 116.8287 54.7685 42.7356 177.5982 149 G 3.8656 8.2052 110.9906 44.5638 0.0000 173.0568 150 R 4.3706 8.0122 119.0958 56.0250 29.8067 172.4096 151 V 3.9180 8.6472 125.9959 62.0975 31.1220 176.7706 152 S 4.3233 8.7827 125.1030 60.5312 62.4112 170.2058 153 N 4.9281 7.4349 115.2945 51.7058 40.1708 173.6686 154 G 3.8024 8.7484 109.4169 45.6855 0.0000 172.7928 155 I 4.4740 7.5435 116.4671 58.7115 38.2635 171.3465 156 V 4.4776 8.2216 125.4310 60.9061 32.6608 174.6684 157 I 4.3501 8.7147 130.0422 60.3107 38.9996 174.7056 158 D 5.4407 8.6047 125.7249 52.8056 42.4694 175.6476 159 I 4.8373 8.7923 115.8632 58.7555 41.6642 174.9826 160 M 4.0214 9.2386 122.7349 55.3220 32.2765 176.0863 161 P 4.3725 0.0000 0.0000 65.7293 31.2400 178.6387 162 V 3.6018 7.7609 115.7312 65.4340 31.7495 177.0491 163 K 4.2934 8.2428 116.6597 56.3085 32.2263 178.5190 164 V 3.5456 7.5101 120.1609 65.6372 31.4230 175.9013 165 P 4.2261 0.0000 0.0000 66.1296 30.5486 178.1631 166 R 3.8599 7.8252 117.0974 59.0447 30.1681 178.1135 167 V 3.7305 7.4160 117.1218 65.6953 31.7566 177.9643 168 I 3.9568 7.9503 119.8725 63.4753 37.2171 177.3461 169 G 4.2245 8.1541 106.0242 45.7599 0.0000 173.9348 170 K 3.9516 8.5409 123.8989 56.2616 32.2035 178.7199 171 N 4.3792 9.4748 122.9774 53.5121 34.9828 172.4013 172 K 4.1673 8.3313 116.4346 55.9298 30.0334 179.5014 173 S 4.2023 7.9489 116.5996 62.5263 62.4109 176.0401 174 M 4.1333 7.9655 121.2194 58.1005 32.2712 177.1620 175 Y 4.1454 8.7048 122.5976 61.4479 39.0287 178.7755 176 E 3.8924 8.6635 119.5166 61.2246 29.6898 180.4841 177 T 4.3243 7.5285 113.3771 64.2184 67.3284 176.2034 178 L 4.3211 7.4321 123.4862 58.9087 41.2775 184.3419 179 T 3.7459 7.3907 115.2456 66.8011 68.5198 176.7225 180 S 4.2931 7.7333 116.1161 61.3630 63.1795 176.1612 181 K 3.8732 7.2396 123.4910 56.7370 32.0669 181.4607 *187 F 4.7059 7.7776 121.5966 57.9191 40.6328 174.2407 188 V 4.0222 8.0823 126.8803 61.9721 30.5077 175.3872 189 A 4.0813 8.0454 130.0068 50.3884 20.3179 177.8520 190 N 4.4105 8.4306 116.0355 56.0267 38.7182 177.3704 191 N 3.3224 6.8980 115.4859 54.4321 39.1802 175.2016 192 G 3.8738 7.9942 105.6904 46.3427 0.0000 172.6950 193 R 5.1263 7.5947 117.3170 53.8108 34.5608 174.1537 194 I 4.8268 8.8680 119.5497 59.3832 40.3199 175.0942 *195 W 4.6767 8.7256 130.4113 56.1613 28.1640 172.3904 196 A 4.4393 9.3896 134.4129 50.4566 20.9718 175.5932 *206 I 3.9242 8.2042 112.9451 61.0078 39.0820 177.2761 207 L 3.9753 8.4447 128.2406 58.1750 41.8503 179.2692 208 I 3.7743 7.8250 121.9153 65.0532 37.1506 178.7030 209 E 3.9897 7.9026 118.1988 61.0678 29.2974 180.7635 210 A 4.2326 7.9392 121.3905 54.9099 18.4226 179.7413 211 I 3.7812 7.6622 120.9224 65.1679 37.3254 179.4323 212 R 4.0465 8.2002 123.9310 61.8676 29.3009 181.5326 213 K 4.2940 8.2251 123.0667 59.4855 31.4675 182.2742 214 I 4.1814 7.1827 116.9057 63.6152 38.0238 177.4223 215 E 4.1110 8.1155 119.1275 59.1687 29.4602 178.1773 216 N 4.8926 7.9692 115.2081 54.0420 39.4067 176.2256 217 E 4.7455 7.8589 116.7361 55.0333 31.3268 182.9790 218 S 4.2107 8.4385 117.8882 62.2332 63.2153 174.5399 219 H 4.6390 8.1769 113.5974 55.5803 28.6157 174.7203 220 I 4.3725 7.2491 120.0750 60.8401 40.5686 175.4960 221 K 4.4255 8.4804 121.4193 57.3670 34.0927 174.2511 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 8 K 8.30 4.25 0.00 1.79 1.72 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 9 I 9.04 4.76 1.93 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 1.18 0.87 0.95 0.00 0.00 10 V 9.31 4.55 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 0.99 0.00 0.00 0.97 0.00 0.00 11 L 8.78 4.39 0.00 1.35 1.55 0.83 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 7.72 4.66 0.00 1.89 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.96 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 13 P 0.00 4.73 0.00 2.20 1.97 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 14 R 8.29 4.80 0.00 1.77 1.94 0.00 3.00 0.00 0.00 3.86 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 15 S 7.92 4.65 0.00 3.86 3.77 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 16 I 8.31 4.46 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 1.41 0.73 0.88 0.00 0.00 17 V 9.55 4.79 2.10 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 0.83 0.00 0.00 0.97 0.00 0.00 18 V 8.23 4.83 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 0.96 0.00 0.00 0.92 0.00 0.00 19 P 0.00 4.60 0.00 2.09 2.01 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.22 0.00 20 G 9.18 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 21 E 7.98 4.31 0.00 2.15 1.91 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 2.17 2.20 0.00 22 L 8.63 4.04 0.00 1.67 1.44 0.84 0.48 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 23 L 8.89 3.81 0.00 0.95 0.35 0.96 -0.18 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 24 A 6.94 4.66 0.60 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 0.00 0.00 25 E 9.32 5.16 0.00 1.95 1.86 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 2.17 2.20 0.00 26 G 9.38 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 27 E 8.37 4.52 0.00 1.97 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 2.31 2.30 0.00 28 F 8.72 4.60 0.00 2.62 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 29 Q 8.28 4.47 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.92 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 30 I 7.31 3.93 1.86 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 -0.34 0.72 0.00 0.00 31 P 0.00 4.40 0.00 2.07 2.04 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 32 W 8.86 4.31 0.00 3.26 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 S 7.47 3.87 0.00 3.62 3.37 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 34 P 0.00 3.79 0.00 1.69 1.75 0.00 2.91 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.32 0.00 35 Y 6.75 5.10 0.00 3.00 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 36 I 7.24 5.12 1.95 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.73 1.33 0.00 0.00 37 L 9.45 4.70 0.00 1.77 1.63 0.99 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.74 4.59 0.00 1.61 1.67 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.17 0.71 7.81 39 I 8.87 4.40 2.10 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.81 0.94 0.00 0.00 40 N 9.91 4.26 0.00 2.83 2.86 0.00 0.00 7.35 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 41 S 8.22 4.29 0.00 4.26 4.46 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.05 5.01 0.00 1.78 1.15 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.27 1.37 7.81 43 Y 8.94 5.12 0.00 2.76 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 *119 Y 7.89 4.22 0.00 2.33 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 0.00 0.00 0.00 0.00 120 L 7.69 4.68 0.00 1.53 1.52 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 121 D 8.82 4.90 0.00 2.59 2.53 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 0.00 122 V 7.97 3.99 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 0.94 0.00 0.00 0.92 0.00 0.00 123 G 8.84 3.88 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 0.00 0.00 0.00 124 D 7.68 4.58 0.00 2.87 2.59 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 0.00 125 Y 8.52 4.87 0.00 3.02 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 0.00 126 V 9.44 4.87 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 0.85 0.00 0.00 0.95 0.00 0.00 127 I 8.94 4.85 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 1.21 0.59 0.80 0.00 0.00 128 A 9.63 4.91 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 R 8.89 4.89 0.00 1.50 1.81 0.00 3.26 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.47 0.00 130 I 8.38 4.52 2.09 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.90 0.97 0.00 0.00 131 E 9.01 4.24 0.00 1.77 1.86 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 2.26 2.13 0.00 132 N 7.87 5.07 0.00 2.83 2.67 0.00 0.00 6.69 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 0.00 133 F 8.49 4.81 0.00 2.89 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 D 7.62 4.34 0.00 2.68 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 *138 D 7.83 4.52 0.00 2.71 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 0.00 139 P 0.00 4.85 0.00 2.18 2.13 0.00 4.05 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.99 0.00 140 V 9.26 4.70 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.00 0.00 0.00 141 L 9.20 5.12 0.00 1.64 1.59 0.95 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 142 S 9.35 4.83 0.00 3.83 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.76 4.61 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 0.76 0.00 0.00 0.93 0.00 0.00 144 K 7.87 4.14 0.00 1.77 1.75 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.39 1.26 7.81 145 G 8.03 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 K 8.35 4.06 0.00 1.70 1.70 0.00 1.86 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.00 7.81 147 D 8.65 4.75 0.00 2.88 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 0.00 148 L 7.37 4.32 0.00 1.80 1.76 0.96 0.78 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 0.00 149 G 8.21 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 R 8.01 4.37 0.00 1.84 1.74 0.00 3.26 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 151 V 8.65 3.92 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 0.90 0.00 0.00 0.97 0.00 0.00 152 S 8.78 4.32 0.00 3.67 3.76 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 0.00 153 N 7.43 4.93 0.00 2.76 2.81 0.00 0.00 6.05 7.00 0.00 0.00 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 8.75 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 0.00 0.00 0.00 155 I 7.54 4.47 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 1.11 0.79 0.91 0.00 0.00 156 V 8.22 4.48 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 0.37 0.00 0.00 0.23 0.00 0.00 157 I 8.71 4.35 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.50 0.89 0.00 0.00 158 D 8.60 5.44 0.00 2.56 2.59 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 0.00 159 I 8.79 4.84 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.65 0.93 0.00 0.00 160 M 9.24 4.02 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.64 0.00 161 P 0.00 4.37 0.00 2.32 2.27 0.00 3.75 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 162 V 7.76 3.60 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 0.85 0.00 0.00 0.82 0.00 0.00 163 K 8.24 4.29 0.00 1.87 1.78 0.00 1.73 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.55 7.81 164 V 7.51 3.55 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 1.05 0.00 0.00 0.99 0.00 0.00 165 P 0.00 4.23 0.00 2.28 2.30 0.00 3.64 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 166 R 7.83 3.86 0.00 1.78 2.05 0.00 3.27 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 167 V 7.42 3.73 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 0.88 0.00 0.00 0.96 0.00 0.00 168 I 7.95 3.96 1.85 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 1.38 0.54 0.86 0.00 0.00 169 G 8.15 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 0.00 0.00 0.00 0.00 170 K 8.54 3.95 0.00 1.69 1.72 0.00 1.95 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.44 1.01 7.81 171 N 9.47 4.38 0.00 2.87 2.77 0.00 0.00 6.77 7.44 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 0.00 172 K 8.33 4.17 0.00 1.81 1.85 0.00 1.76 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 0.97 7.81 173 S 7.95 4.20 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 0.00 174 M 7.97 4.13 0.00 2.34 2.10 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.53 0.00 175 Y 8.70 4.15 0.00 3.04 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 E 8.66 3.89 0.00 2.00 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 2.24 2.19 0.00 177 T 7.53 4.32 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 1.29 0.00 0.00 178 L 7.43 4.32 0.00 1.68 1.64 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 179 T 7.39 3.75 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 1.06 0.00 0.00 180 S 7.73 4.29 0.00 4.01 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 0.00 181 K 7.24 3.87 0.00 1.77 1.76 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.24 7.81 *187 F 7.78 4.71 0.00 3.16 3.08 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 0.00 188 V 8.08 4.02 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 0.67 0.00 0.00 0.95 0.00 0.00 189 A 8.05 4.08 1.14 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 0.00 190 N 8.43 4.41 0.00 2.67 2.99 0.00 0.00 7.02 7.44 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 0.00 191 N 6.90 3.32 0.00 2.44 2.64 0.00 0.00 7.24 7.86 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 0.00 192 G 7.99 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 R 7.59 5.13 0.00 1.62 1.67 0.00 3.21 0.00 0.00 3.47 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.57 0.00 194 I 8.87 4.83 1.79 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 1.03 1.19 0.81 0.00 0.00 *195 W 8.73 4.68 0.00 2.32 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 0.00 0.00 0.00 0.00 196 A 9.39 4.44 1.16 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 *206 I 8.20 3.92 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 1.29 1.29 0.90 0.00 0.00 207 L 8.44 3.98 0.00 1.76 1.63 0.87 1.02 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 0.00 208 I 7.82 3.77 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 1.49 0.54 0.90 0.00 0.00 209 E 7.90 3.99 0.00 1.99 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 2.20 0.00 210 A 7.94 4.23 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 0.00 211 I 7.66 3.78 1.99 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 1.36 0.76 0.89 0.00 0.00 212 R 8.20 4.05 0.00 1.83 1.94 0.00 3.27 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 213 K 8.23 4.29 0.00 1.77 1.84 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.31 7.81 214 I 7.18 4.18 2.00 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 1.51 1.10 0.93 0.00 0.00 215 E 8.12 4.11 0.00 2.15 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 0.00 2.33 2.33 0.00 216 N 7.97 4.89 0.00 2.72 2.86 0.00 0.00 6.72 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 0.00 217 E 7.86 4.75 0.00 1.90 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.11 0.00 218 S 8.44 4.21 0.00 3.96 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 0.00 219 H 8.18 4.64 0.00 3.28 3.41 0.00 5.47 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 0.00 220 I 7.25 4.37 1.76 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.18 0.85 0.00 0.00 221 K 8.48 4.43 0.00 1.92 2.03 0.00 1.58 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.39 7.81 * Residues marked with a * may have inaccurate shift predictions.