NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.2168 8.4449 120.2249 56.2400 30.8030 175.3722 4 E 4.2460 8.2299 121.8678 54.5611 31.4999 172.9542 5 H 5.0127 9.1764 120.8551 54.1000 34.1483 172.9042 6 T 4.6775 8.8929 117.1346 61.9141 72.4586 173.3269 7 I 4.7722 8.4756 125.6259 59.8457 40.0296 174.6086 8 I 4.2584 8.6765 128.9145 59.2427 39.7666 174.7953 9 Q 4.1167 8.3058 127.2041 54.1375 30.6115 174.1017 10 A 4.9424 8.3732 128.8769 50.2257 22.0495 174.6455 11 E 5.1522 8.1589 117.3526 55.4256 32.9867 173.6876 12 F 4.8136 8.0652 114.3888 56.9289 41.6392 171.8355 13 Y 5.0602 8.3721 119.3549 55.8203 41.9389 173.4998 14 L 4.8038 8.2236 127.0924 53.5767 45.8976 174.9574 15 L 4.8323 7.9882 120.2863 52.6569 45.8545 174.3313 16 P 4.4582 0.0000 0.0000 66.2573 31.5372 178.9127 17 D 4.3117 7.8637 117.7550 55.3157 40.9602 177.0156 18 K 3.9111 7.5820 116.0735 56.7081 30.3227 175.0943 19 R 4.5235 6.9197 116.3449 54.3266 32.8532 175.7579 20 G 4.2658 8.2829 108.4175 44.5806 0.0000 170.9365 21 E 4.7549 8.2222 119.2233 55.0375 33.8920 173.5577 22 F 5.2557 8.4445 124.4050 57.5051 43.1236 172.6041 23 M 4.8262 8.4748 122.2286 54.7656 35.1611 173.1337 24 F 5.0099 8.2526 117.6577 55.5489 42.3233 174.0393 25 D 5.3700 9.2399 122.1966 52.4955 44.9277 174.4323 26 F 5.0029 9.3008 127.2147 56.4255 41.6977 174.1465 27 D 4.1676 8.8766 129.0184 55.3642 37.9683 175.8174 28 G 4.0278 8.7391 105.7878 45.0296 0.0000 173.3655 29 D 5.0389 7.4306 118.1960 51.9337 43.8209 175.0363 30 E 4.6057 8.5550 122.8467 56.3043 30.7298 177.5335 31 I 4.5573 9.0122 127.3663 62.7045 38.2172 175.4642 32 F 5.3161 7.3016 114.0569 57.1091 40.1824 172.0474 33 H 5.2873 8.5193 114.2769 54.3684 32.6861 171.9137 34 V 4.5863 8.1870 118.4614 60.8869 33.2035 175.0156 35 D 4.4435 9.3075 128.3363 53.9194 39.7106 176.2580 36 I 3.5996 8.1188 126.1473 64.8676 37.5403 177.3505 37 E 4.0599 8.2291 119.3749 60.0072 29.4198 178.9207 38 K 4.1610 8.1863 114.2600 56.3223 32.5243 176.7164 39 S 3.7321 7.9345 113.1737 59.0589 61.5760 171.0244 40 E 4.8303 7.6368 113.5872 54.5447 33.6829 174.3929 41 T 4.4343 8.3298 117.2004 62.8065 69.8778 174.3535 42 I 4.2467 8.3748 127.7769 59.1017 39.2472 175.2002 43 W 4.7959 8.5002 127.4721 56.3680 29.2799 177.2398 44 R 4.1066 8.9055 123.4506 58.3009 30.1050 176.7311 45 L 4.4587 6.9657 117.3302 51.9348 45.2858 176.0672 46 E 3.9105 9.0651 124.2216 60.0318 28.9592 179.4664 47 E 3.9474 8.1254 116.5838 59.9903 29.5116 179.1604 48 F 4.3416 8.4776 118.3009 60.2721 38.8648 177.3337 49 A 2.5800 7.5004 120.6467 54.2785 17.8868 179.4183 50 K 3.9207 7.4068 113.1494 58.5044 32.6817 177.4439 51 F 4.5619 7.7567 116.7213 57.2718 39.9373 174.2858 52 A 4.5278 7.2889 121.9172 52.4519 22.0716 175.2643 53 S 4.9659 8.2936 111.5441 58.4557 66.5874 174.5549 54 F 4.5401 8.4388 123.3750 56.8879 42.2185 173.8469 55 E 4.1711 7.4958 128.0515 54.4108 28.9201 175.8604 56 A 4.2486 8.5998 129.6005 55.4896 18.2873 178.8466 57 Q 4.0669 8.4964 116.5306 58.7526 28.7587 179.1202 58 G 3.5136 7.9860 106.7440 47.8465 0.0000 175.4370 59 A 3.7939 7.8496 123.4319 54.5904 18.0368 179.4036 60 L 3.9443 7.7162 116.0986 58.0451 41.8411 179.1559 61 A 4.0629 8.0876 120.5956 55.2274 18.2317 179.0287 62 N 4.2383 8.2764 113.5842 56.9601 38.7656 177.7568 63 I 3.8015 8.0969 120.5084 64.1738 37.2560 178.3293 64 A 3.8984 8.2231 122.0679 55.0433 18.1024 179.4588 65 V 3.4960 7.7598 116.1714 66.6845 31.5690 177.8918 66 D 4.4116 8.5464 118.4998 57.0766 40.3678 178.9743 67 K 3.1235 7.8693 118.7166 59.1091 32.3297 178.6709 68 A 4.7261 7.6449 121.6146 54.9056 18.3481 179.0417 69 N 4.1903 8.3460 115.3255 56.8268 38.7015 177.2711 70 L 4.0408 7.9547 121.2071 58.2148 41.9596 178.8087 71 D 4.3664 8.0842 118.9906 57.1639 40.7415 178.7627 72 V 3.5711 7.7137 118.1601 66.4975 31.5724 177.6669 73 M 4.1500 8.4229 118.6934 58.4983 31.6222 179.0879 74 K 4.0242 8.2457 118.7938 59.3369 32.0252 179.2351 75 E 4.0006 7.7862 116.9060 59.2994 29.8217 178.4451 76 R 4.0076 8.2676 119.4960 59.1677 30.0547 178.1712 77 S 4.5310 7.9541 115.1625 59.5226 63.8206 172.4420 *78 N 3.8993 8.4809 127.0060 52.9780 34.9538 175.8555 *79 N 4.2839 8.6259 126.1306 53.5872 34.8324 174.1355 *80 T 4.2279 8.0979 115.4389 63.3674 69.5485 176.5464 *81 P 4.5884 0.0000 0.0000 63.4918 32.7519 179.9466 *82 D 4.3304 8.2540 123.3691 54.7184 45.4588 180.0622 83 A 4.6440 9.2256 121.3680 51.8090 20.7537 176.2503 84 N 5.0184 8.2516 115.5357 51.2405 40.7468 173.1490 85 V 4.5330 8.5613 118.0328 60.7619 33.1563 174.7850 86 A 4.5681 8.7515 130.3199 51.6220 19.0117 174.7728 87 P 4.9280 0.0000 0.0000 62.0898 33.3857 174.8849 88 E 4.5222 8.7315 121.3078 54.9743 31.3393 175.2110 89 V 4.7773 8.2200 123.5496 61.3992 34.5995 174.7491 90 T 4.7673 8.6188 122.4809 61.9038 72.8442 172.8874 91 V 5.5368 8.5811 125.2303 60.3276 34.2580 174.2351 92 L 4.5602 8.0336 125.3960 54.6189 43.5029 173.9768 93 S 4.4870 8.5726 115.0538 58.3422 63.2890 174.3755 94 R 4.2542 8.8304 124.0491 59.0356 30.3428 176.6164 95 S 4.7293 7.9100 109.5436 55.3926 66.2491 171.5339 96 P 4.1427 0.0000 0.0000 63.0652 31.5563 175.8623 97 V 4.1289 8.4478 122.0950 61.6071 32.6330 174.7521 98 N 4.9000 8.3715 124.0670 50.8876 41.2699 173.9020 99 L 3.8270 8.3783 122.8323 56.4473 42.2420 177.6104 100 G 4.0082 8.1501 110.3869 45.7026 0.0000 173.3694 101 E 4.1017 7.8261 120.4109 54.2290 29.2581 173.8993 102 P 4.0891 0.0000 0.0000 63.4494 32.1964 175.1069 103 N 4.9128 8.2295 120.9134 52.1815 43.3598 172.2525 104 I 5.1856 8.0851 118.0937 59.6265 41.4284 174.6326 105 L 4.3481 8.9485 127.0612 53.4032 43.5976 175.4928 106 I 5.1227 8.7382 124.5557 59.7779 40.1124 173.6744 107 C 4.9507 9.7708 128.1855 55.0483 43.8159 172.3714 108 F 4.9542 9.2938 131.0929 56.7554 40.4597 174.4452 109 I 4.2734 8.2320 128.9708 60.1064 38.2667 174.8204 110 D 4.7707 8.6742 126.7686 52.3694 44.8194 174.9362 111 K 3.9885 8.7950 116.1489 57.0160 29.0719 173.3038 112 F 5.2993 7.9265 116.5767 55.5317 42.4005 173.8558 113 S 4.6343 8.2926 110.6497 56.6638 65.0917 174.0291 114 P 4.3613 0.0000 0.0000 61.8872 31.7774 175.1959 115 P 3.3631 0.0000 0.0000 60.0502 29.2949 175.2783 116 V 4.6880 7.0650 120.2477 61.5875 34.3617 174.2851 117 V 4.8226 8.5562 115.9836 60.0143 36.4999 174.6475 118 N 4.8758 8.8895 118.7627 51.7804 40.7690 173.5845 119 V 4.7469 8.1584 123.1849 61.3508 34.0598 175.0481 120 T 4.6457 8.5029 122.6727 61.7766 72.9977 172.9051 121 W 4.9687 8.8614 126.0615 55.9691 31.1392 175.1272 122 L 5.3169 9.5904 124.6212 53.0648 44.5975 175.4089 123 R 4.7394 9.4766 125.7250 54.5857 31.7869 175.6124 124 N 3.1400 9.3352 126.5177 54.0768 36.4237 175.9233 125 G 4.0953 8.8340 103.8899 45.7242 0.0000 173.9783 126 R 4.6127 7.7393 119.1787 53.3187 32.0385 173.9155 127 P 4.7536 0.0000 0.0000 62.7234 31.4589 175.8864 128 V 4.3504 8.7286 124.8251 61.5203 32.4286 175.4264 129 T 4.6631 8.6082 115.1351 61.0774 69.9335 173.2223 130 E 4.6125 8.1577 121.9118 55.8721 31.8807 175.6525 131 G 3.7730 8.9408 110.5464 46.7514 0.0000 172.9805 132 V 5.1244 7.5380 109.9000 59.6655 36.2818 175.3468 133 S 4.9460 8.9386 115.7363 57.8463 66.7561 172.5694 134 E 5.0801 8.5805 117.0559 55.5151 31.9386 174.5232 135 T 4.4877 8.1324 111.8930 60.3454 71.1758 175.8498 136 V 3.6898 7.1086 113.0667 61.0767 32.6271 175.1157 137 F 4.7042 8.6267 119.2997 57.7443 39.5817 175.7272 138 L 5.0120 9.5453 124.0997 52.7035 44.2103 174.3216 139 P 4.8735 0.0000 0.0000 62.5029 32.9353 174.6227 140 R 4.7799 7.5947 118.5659 54.1964 33.7689 176.4411 141 D 4.1773 8.8917 118.7758 56.6727 41.5437 177.0987 142 D 4.9565 7.1023 120.2672 53.1860 40.0064 176.7106 143 H 4.4812 8.8949 117.7560 55.3911 28.7467 174.2028 144 L 4.2148 7.4098 120.0524 53.3351 44.9336 175.0569 145 F 5.2503 8.5129 118.7015 55.9262 42.4610 174.8102 146 R 5.1607 8.9841 119.2557 55.1319 33.9986 173.7473 147 K 4.9573 9.0205 123.1217 55.6671 36.4096 174.1095 148 F 5.2388 9.2713 125.8533 56.3120 41.7114 174.5146 149 H 5.2228 8.8101 118.3445 54.2968 33.0637 172.1511 150 Y 5.6273 9.5013 118.9326 56.5430 42.4787 174.4156 151 L 4.5812 8.1305 122.7749 54.0276 45.5703 174.9200 152 T 4.8601 8.5769 124.0268 63.2314 69.7869 173.9480 153 F 4.7844 8.6925 118.6060 56.0447 42.0084 172.9761 154 L 4.5589 8.3923 119.5877 52.2271 42.7392 174.8197 155 P 4.5276 0.0000 0.0000 63.4382 32.2264 175.7383 156 S 4.8107 8.6547 116.5359 57.3303 65.3584 174.1329 157 T 4.3627 8.7161 122.4401 65.4776 68.5923 175.1873 158 D 4.7552 7.8887 118.5812 53.1783 40.3913 176.0553 159 D 4.7660 7.8561 119.6369 52.7035 43.0290 175.2561 160 F 5.0662 8.0375 115.8597 55.3776 41.5895 173.2729 161 Y 5.6042 9.4523 117.5347 56.6643 41.9809 174.3432 162 D 5.3858 9.7043 120.7344 52.9456 46.0135 173.7483 163 C 4.4169 9.5447 123.2403 54.8371 44.6101 172.1086 164 E 4.9552 9.1230 129.3017 54.7456 30.9196 174.4812 165 V 4.6443 8.2107 127.7083 61.0424 34.2977 173.7809 166 D 5.2857 8.6948 126.7166 52.9078 44.3283 173.9116 167 H 5.2300 8.5530 122.9254 54.6637 33.1383 174.0516 168 W 4.1516 8.9989 122.8888 59.8730 28.9995 177.6214 169 G 4.1229 7.9241 104.0030 45.6602 0.0000 172.8386 170 L 4.6634 7.6159 120.4047 52.8841 43.3215 176.5710 171 E 4.0672 8.8635 123.4231 58.9126 29.6828 176.6596 172 E 4.7114 7.5957 116.1971 52.9177 33.1079 172.5263 173 P 4.3265 0.0000 0.0000 63.6270 31.4733 175.4783 174 L 4.3552 9.0128 125.4089 54.7049 43.9610 175.9247 175 R 4.4888 8.2203 124.2233 55.1893 32.2196 173.7794 176 K 4.4791 8.8772 127.1925 55.5903 33.6113 176.0534 177 H 5.5538 8.7072 124.4764 54.5145 32.1064 173.8890 178 W 4.9602 8.8133 130.5272 56.7324 34.4590 173.0545 179 E 4.7753 7.7318 125.1293 54.1710 33.2671 175.1245 180 F 4.2880 8.4462 123.7182 58.2547 40.2528 174.7616 181 E 3.9814 7.6759 124.6397 54.7492 33.2172 175.2486 182 E 4.0914 8.0153 122.0389 56.5604 29.6437 176.4098 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 3 E 8.44 4.22 0.00 1.98 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 2.27 2.46 0.00 4 E 8.23 4.25 0.00 1.87 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 0.00 2.15 2.29 0.00 5 H 9.18 5.01 0.00 3.11 3.05 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.89 4.68 4.13 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 1.16 0.00 0.00 7 I 8.48 4.77 1.96 0.00 0.00 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 1.74 0.96 0.96 0.00 0.00 8 I 8.68 4.26 1.74 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 1.03 0.97 0.79 0.00 0.00 9 Q 8.31 4.12 0.00 0.93 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.73 0.00 0.00 0.00 0.00 0.00 1.95 1.81 0.00 10 A 8.37 4.94 1.24 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 0.00 0.00 11 E 8.16 5.15 0.00 2.09 1.77 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 2.13 2.37 0.00 12 F 8.07 4.81 0.00 3.12 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 13 Y 8.37 5.06 0.00 3.11 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 14 L 8.22 4.80 0.00 1.69 1.26 0.71 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.99 4.83 0.00 1.71 1.57 1.14 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 16 P 0.00 4.46 0.00 2.31 2.42 0.00 3.83 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 2.27 2.28 0.00 17 D 7.86 4.31 0.00 2.57 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 18 K 7.58 3.91 0.00 1.95 2.00 0.00 1.68 0.00 0.00 1.61 0.00 0.00 3.16 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.74 7.81 19 R 6.92 4.52 0.00 1.41 1.68 0.00 3.05 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 20 G 8.28 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 0.00 0.00 0.00 0.00 21 E 8.22 4.75 0.00 1.43 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 22 F 8.44 5.26 0.00 3.16 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 23 M 8.47 4.83 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.81 0.00 24 F 8.25 5.01 0.00 1.89 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 D 9.24 5.37 0.00 2.64 2.39 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 0.00 26 F 9.30 5.00 0.00 3.10 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 27 D 8.88 4.17 0.00 2.55 2.56 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 28 G 8.74 4.03 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 0.00 29 D 7.43 5.04 0.00 2.92 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 30 E 8.56 4.61 0.00 2.03 1.87 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 2.54 2.34 0.00 31 I 9.01 4.56 2.38 0.00 0.00 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 1.57 1.29 0.95 0.00 0.00 32 F 7.30 5.32 0.00 2.77 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 33 H 8.52 5.29 0.00 3.36 3.35 0.00 5.21 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 8.19 4.59 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 0.71 0.00 0.00 0.68 0.00 0.00 35 D 9.31 4.44 0.00 2.68 2.56 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 36 I 8.12 3.60 1.88 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 1.41 1.00 0.95 0.00 0.00 37 E 8.23 4.06 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 38 K 8.19 4.16 0.00 1.74 1.85 0.00 1.92 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.57 1.54 7.81 39 S 7.93 3.73 0.00 3.92 3.86 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 40 E 7.64 4.83 0.00 2.00 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 2.22 2.26 0.00 41 T 8.33 4.43 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 -0.14 0.00 0.00 42 I 8.37 4.25 1.44 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 1.04 1.10 0.93 0.00 0.00 43 W 8.50 4.80 0.00 3.19 3.34 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 44 R 8.91 4.11 0.00 2.07 2.13 0.00 3.28 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.60 0.00 45 L 6.97 4.46 0.00 0.27 0.96 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 46 E 9.07 3.91 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.04 1.06 0.00 0.00 64 A 8.22 3.90 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 65 V 7.76 3.50 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 1.17 0.00 0.00 1.02 0.00 0.00 66 D 8.55 4.41 0.00 2.92 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 K 7.87 3.12 0.00 1.70 1.49 0.00 1.56 0.00 0.00 1.50 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.31 1.27 7.81 68 A 7.64 4.73 1.33 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 0.00 0.00 69 N 8.35 4.19 0.00 2.97 2.93 0.00 0.00 6.74 6.54 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 70 L 7.95 4.04 0.00 1.94 1.92 0.98 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 71 D 8.08 4.37 0.00 2.85 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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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 0.00 122 L 9.59 5.32 0.00 1.81 1.69 0.98 0.71 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 0.00 123 R 9.48 4.74 0.00 2.11 1.90 0.00 3.47 0.00 0.00 3.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.55 0.00 124 N 9.34 3.14 0.00 2.58 2.55 0.00 0.00 7.09 7.22 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 0.00 125 G 8.83 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 0.00 126 R 7.74 4.61 0.00 2.01 1.86 0.00 3.32 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.72 0.00 127 P 0.00 4.75 0.00 2.09 2.07 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 128 V 8.73 4.35 2.24 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 0.84 0.00 0.00 1.06 0.00 0.00 129 T 8.61 4.66 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 1.27 0.00 0.00 130 E 8.16 4.61 0.00 1.97 1.89 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 2.24 2.23 0.00 131 G 8.94 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 0.00 0.00 0.00 132 V 7.54 5.12 2.38 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 0.80 0.00 0.00 1.05 0.00 0.00 133 S 8.94 4.95 0.00 4.04 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 0.00 134 E 8.58 5.08 0.00 1.58 1.73 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 2.15 2.19 0.00 135 T 8.13 4.49 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 1.21 0.00 0.00 136 V 7.11 3.69 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 0.46 0.00 0.00 0.84 0.00 0.00 137 F 8.63 4.70 0.00 3.13 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 0.00 138 L 9.55 5.01 0.00 1.79 1.73 1.03 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 139 P 0.00 4.87 0.00 2.02 2.07 0.00 3.79 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 140 R 7.59 4.78 0.00 1.75 1.89 0.00 3.30 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 141 D 8.89 4.18 0.00 2.63 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 0.00 142 D 7.10 4.96 0.00 2.63 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 H 8.89 4.48 0.00 3.09 3.27 0.00 5.51 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 L 7.41 4.21 0.00 1.54 1.59 0.82 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 145 F 8.51 5.25 0.00 2.30 2.94 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 0.00 0.00 0.00 146 R 8.98 5.16 0.00 1.96 1.95 0.00 3.59 0.00 0.00 3.42 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.42 0.00 147 K 9.02 4.96 0.00 1.96 1.66 0.00 1.55 0.00 0.00 1.57 0.00 0.00 2.13 0.00 0.00 2.34 0.00 0.00 0.00 0.00 1.25 1.47 7.81 148 F 9.27 5.24 0.00 2.79 2.45 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 0.00 149 H 8.81 5.22 0.00 3.06 3.20 0.00 5.55 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 Y 9.50 5.63 0.00 2.86 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 0.00 151 L 8.13 4.58 0.00 0.27 0.13 0.53 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 152 T 8.58 4.86 4.17 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 1.15 0.00 0.00 153 F 8.69 4.78 0.00 2.94 2.64 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 0.00 154 L 8.39 4.56 0.00 1.55 1.62 0.89 0.89 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 0.00 155 P 0.00 4.53 0.00 1.80 1.70 0.00 3.27 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.49 0.00 156 S 8.65 4.81 0.00 3.86 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 0.00 157 T 8.72 4.36 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 158 D 7.89 4.76 0.00 2.80 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 7.86 4.77 0.00 2.63 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 0.00 160 F 8.04 5.07 0.00 2.95 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 Y 9.45 5.60 0.00 3.22 3.05 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 0.00 162 D 9.70 5.39 0.00 2.64 2.56 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 0.00 163 C 9.54 4.42 0.00 2.44 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 0.00 164 E 9.12 4.96 0.00 1.97 1.73 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 2.40 2.20 0.00 165 V 8.21 4.64 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 0.64 0.00 0.00 0.65 0.00 0.00 166 D 8.69 5.29 0.00 2.83 2.48 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 0.00 167 H 8.55 5.23 0.00 3.19 3.08 0.00 5.93 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 W 9.00 4.15 0.00 3.09 3.23 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 0.00 169 G 7.92 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 L 7.62 4.66 0.00 1.78 1.74 0.94 0.75 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 0.00 171 E 8.86 4.07 0.00 1.94 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 2.31 2.23 0.00 172 E 7.60 4.71 0.00 1.84 1.73 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 2.16 2.25 0.00 173 P 0.00 4.33 0.00 2.20 2.22 0.00 3.79 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 174 L 9.01 4.36 0.00 1.70 1.57 0.88 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 175 R 8.22 4.49 0.00 1.78 1.76 0.00 3.28 0.00 0.00 3.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 176 K 8.88 4.48 0.00 1.71 1.75 0.00 1.71 0.00 0.00 1.53 0.00 0.00 2.79 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.34 1.47 7.81 177 H 8.71 5.55 0.00 3.18 3.20 0.00 5.59 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 W 8.81 4.96 0.00 3.53 3.15 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 0.00 179 E 7.73 4.78 0.00 1.65 1.66 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 2.36 2.42 0.00 180 F 8.45 4.29 0.00 2.96 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 0.00 181 E 7.68 3.98 0.00 1.73 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.22 0.00 182 E 8.02 4.09 0.00 1.85 1.88 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 2.12 1.84 0.00 * Residues marked with a * may have inaccurate shift predictions.