NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2886 8.3049 118.1433 55.0137 32.5517 174.1347 2 F 4.8163 8.9448 117.9444 53.5865 42.4038 173.4746 3 D 5.0733 9.2423 124.6699 50.9042 43.9068 176.6648 4 A 3.8896 8.2111 121.5369 55.7797 18.1185 179.8226 5 F 4.3478 7.8534 115.5258 61.1104 39.1240 177.8747 6 T 4.1464 8.9182 109.2274 64.1548 68.4350 176.4137 7 K 3.4474 8.3695 123.6301 59.3204 32.1804 178.9298 8 V 3.5306 7.4358 117.2582 65.7763 31.3982 178.0508 9 V 3.5583 7.8080 118.0586 66.1098 31.2411 177.4557 10 S 4.1081 8.2062 113.1645 62.0781 61.9987 176.5260 11 Q 3.9463 7.7780 119.9885 58.6780 28.3982 178.6274 12 A 3.9597 8.1038 122.1887 54.9471 18.3524 179.1688 13 D 4.3086 8.4418 117.0863 57.6932 41.0768 178.5618 14 T 3.9085 7.6077 115.6599 65.9275 68.4947 175.7354 15 R 4.4160 7.4845 117.0680 54.7642 30.9656 176.1888 16 G 3.9752 8.1625 107.1780 46.3523 0.0000 173.2664 17 E 4.7408 8.1336 114.7223 54.3113 33.0366 174.8746 18 M 4.4270 8.2612 118.9498 54.0651 33.2818 176.5100 19 L 4.1111 8.1891 121.0911 54.8042 42.5834 178.2456 20 S 4.4733 8.3746 117.5069 58.1314 65.4417 175.4854 21 T 3.8843 8.4351 118.4846 66.5488 68.0683 176.7566 22 A 3.9644 7.9004 122.2304 55.3293 18.4684 179.2976 23 Q 3.9642 7.8855 116.0499 59.4039 28.8354 179.5670 24 I 3.7780 7.8716 120.5336 64.5245 37.1601 178.2437 25 D 4.3869 8.3432 119.5459 57.2399 40.4620 178.6981 26 A 4.0211 8.1893 121.3931 55.2174 18.4018 179.7393 27 L 3.9539 7.8613 117.3090 57.8518 41.5907 179.8404 28 S 4.1983 8.1871 115.3571 61.5425 62.6114 176.3973 29 Q 3.9610 8.1908 122.4828 59.4812 28.5981 178.4059 30 M 4.0808 7.5951 116.8906 58.1728 31.6619 178.3898 31 V 3.7302 7.8918 119.2993 65.8194 31.5035 177.8964 32 A 4.0701 8.1899 119.7043 54.5327 18.5733 178.5086 33 E 4.3355 7.8901 115.8797 56.7458 30.0331 178.2159 34 S 4.0679 7.6706 115.4016 61.8967 62.8538 176.2507 35 N 4.2990 8.2752 119.2973 56.2177 38.2793 177.2535 36 K 4.0094 8.0148 119.4026 59.3319 32.1054 179.3457 37 R 3.9016 7.9275 118.4882 59.6089 30.0152 178.5080 38 L 4.1807 8.0891 118.5722 57.6716 41.5695 179.2446 39 D 4.3591 8.1363 118.6642 57.1278 40.6482 178.5526 40 A 4.0342 8.0760 121.4155 55.0652 18.4288 179.8487 41 V 3.5717 7.8418 116.7400 66.2052 31.6028 177.6859 42 N 4.3290 8.4613 116.9950 56.8724 38.5748 177.0392 43 R 3.9391 8.3045 118.5462 59.3020 30.4357 178.8612 44 I 3.9207 8.0880 119.8405 64.6697 37.1536 178.6222 45 T 3.8632 8.0265 116.5625 66.8185 68.1157 176.8536 46 S 4.3643 8.3072 115.5515 60.2540 62.9858 174.5638 47 N 5.0241 7.8949 119.1727 52.5535 39.6113 176.9112 48 A 3.9607 8.0619 121.6250 55.4898 18.4152 180.1359 49 S 4.0715 8.0755 113.1617 62.1482 62.8960 177.1030 50 T 3.8510 7.8094 117.5767 66.7033 68.2334 176.4954 51 I 3.6785 7.8887 121.8468 64.4945 37.1151 178.7494 52 V 3.5472 8.0704 119.0553 66.0589 31.4424 177.5688 53 S 4.0801 8.2883 113.1259 61.8659 62.1977 175.9262 54 N 4.3071 8.6891 118.8751 56.2311 38.3125 177.3570 55 A 3.8994 7.8159 121.6245 54.9682 18.4410 179.4185 56 A 3.4368 8.2235 119.6087 55.1710 18.5072 179.5626 57 R 3.9548 7.9253 116.9552 59.8528 30.1154 178.5190 58 S 4.0478 8.0218 112.6130 61.2297 62.2528 175.8283 59 L 3.8085 7.7607 122.9679 58.3033 41.6037 179.1122 60 F 4.4934 7.5178 115.9487 60.2657 38.8180 177.2869 61 A 4.2086 7.7999 120.2466 55.1301 18.2600 179.2172 62 E 4.1940 8.1213 116.2729 58.0956 31.2003 177.5899 63 Q 4.8733 8.4824 117.5473 51.6629 28.9898 174.2390 64 P 4.5376 0.0000 0.0000 65.1367 31.5383 178.3955 65 Q 4.0736 8.0847 117.3812 58.9429 28.0108 178.2649 66 L 4.0421 8.1400 121.8049 57.2110 41.5314 178.4697 67 I 4.0864 7.5022 108.4974 60.6472 38.6754 175.7539 68 A 4.0192 7.6163 125.2822 51.0948 18.7914 175.1232 69 P 2.9700 0.0000 0.0000 63.9827 31.5652 176.3223 70 G 4.1585 8.4738 111.3743 45.6026 0.0000 175.4327 71 G 4.2364 8.3628 108.0295 44.7748 0.0000 175.2838 *75 A 4.2085 8.7146 127.8553 51.1134 19.8582 176.6895 76 Y 4.2792 7.6217 117.6625 58.5614 39.7312 173.1582 77 T 3.0262 7.0587 117.2474 61.3130 69.9203 172.8164 78 S 4.0020 8.4674 120.0921 61.8827 62.8165 176.8570 79 R 3.8328 7.9021 120.5514 59.7982 29.6856 178.6014 80 R 3.9222 7.5552 116.3947 59.2853 29.9303 178.7186 81 M 3.9665 8.0754 117.8898 58.4968 32.1557 178.0968 82 A 3.9665 8.5305 121.0359 55.1535 18.5215 179.3807 83 A 3.9531 8.1702 119.3359 55.4317 18.5584 179.4127 84 C 4.1085 8.4792 117.4400 62.7837 31.8538 175.8178 85 L 4.0936 8.2886 120.8101 57.6177 41.1559 179.5013 86 R 3.8920 8.2835 118.8292 59.6723 30.0419 178.1210 87 D 4.4955 8.3408 118.7311 57.8062 40.8275 178.8602 88 M 4.0861 7.9679 118.4580 58.4911 32.0095 178.4844 89 E 3.9217 8.1000 118.8888 59.1851 29.8299 178.6695 90 I 3.6730 8.3328 120.1642 64.6501 37.2687 178.4021 91 I 3.8015 8.1628 120.7482 64.3697 36.9739 178.2668 92 L 3.8866 7.9367 121.1601 57.9612 42.0125 178.8937 93 R 3.4479 8.2223 118.9771 59.7073 29.9314 178.2271 94 Y 3.8300 7.6252 116.2274 60.7916 37.7683 178.7608 95 V 3.4445 7.7328 119.7296 66.0011 31.5779 178.2278 96 T 3.9693 7.7884 109.4904 64.5872 68.5031 176.3928 97 Y 4.3091 7.5503 119.3356 61.0648 37.9740 177.8857 98 A 4.1679 8.0649 123.1240 54.5770 18.0896 179.8301 99 V 3.8257 7.5612 115.3830 66.1416 31.6816 177.7666 100 F 4.2884 8.2569 119.1934 61.3574 39.6340 176.7850 101 A 4.2294 8.8991 120.6929 52.7844 17.9341 178.8260 102 G 3.6945 9.3767 104.8458 45.8965 0.0000 172.7505 103 D 4.7250 7.5189 116.7446 51.5706 44.2499 175.6208 104 A 4.0333 8.6731 125.8292 52.8835 18.8883 179.6275 105 S 4.1285 8.4846 114.3394 61.7010 62.7993 176.9977 106 V 3.5931 7.8674 122.8384 64.1537 30.8857 177.7751 107 L 3.8721 7.8151 120.4143 57.7167 41.9640 178.5333 108 E 3.9160 8.3519 118.6581 59.5758 29.2420 179.2425 109 D 4.2739 8.3283 117.5303 57.1840 41.1155 178.3461 110 R 4.2838 7.4732 114.6797 56.5052 30.4552 175.8554 111 C 4.2762 7.2578 116.8724 60.6742 33.9853 174.9096 112 L 3.9968 8.1984 119.0388 57.5025 41.4907 177.4296 113 N 4.3891 8.0294 117.8413 55.1797 39.1668 174.4043 114 G 4.0157 8.9377 114.5945 45.7861 0.0000 174.8223 115 L 3.6678 7.6642 121.1416 57.8662 41.8089 179.0749 116 R 3.9231 7.7948 118.2531 59.5917 30.2320 178.2525 117 E 3.9945 8.1355 117.7182 59.4772 29.4023 179.5305 118 T 3.8218 7.7613 116.0016 66.9385 68.5430 176.5416 119 Y 4.5399 7.8553 118.5185 60.7697 37.2655 178.5297 120 L 3.9857 8.2744 120.0635 57.8274 41.6096 179.1601 121 A 4.0547 7.7567 119.1926 55.4164 18.3818 179.4263 122 L 4.1936 7.9251 116.4562 55.8545 41.8333 178.1928 123 G 3.9626 8.0541 105.1926 46.0903 0.0000 172.9520 124 T 4.3416 8.0093 116.9174 60.7693 69.9247 174.1457 125 P 4.4678 0.0000 0.0000 62.6555 31.1434 176.9868 126 G 4.2134 8.8336 114.1140 47.3511 0.0000 173.2270 127 S 4.1300 8.0330 115.9513 61.7404 62.9648 176.7548 128 S 4.0807 7.9759 118.6617 60.9565 62.6138 176.6496 129 V 3.5097 7.6189 120.6816 65.9155 31.1851 177.9270 130 A 4.0280 8.4659 120.9081 55.1017 18.3457 179.6637 131 V 3.6067 7.9272 116.9250 66.2324 31.6688 178.5276 132 G 3.5623 8.1375 105.3558 47.7713 0.0000 175.8671 133 V 3.8549 8.0001 120.7226 65.7056 31.6632 178.4073 134 G 3.6078 8.4644 106.0539 47.5269 0.0000 175.9586 135 K 3.9300 7.8937 120.3311 59.6856 32.0975 179.4346 136 M 4.0532 7.8390 118.4009 58.0065 31.6779 178.4633 137 K 2.0000 7.5450 120.1437 58.9862 32.2807 178.7193 138 E 3.8098 7.8947 116.8888 58.9923 29.3879 178.8815 139 A 3.9438 7.9198 121.9885 54.6976 18.4280 179.4561 140 A 3.9393 8.2418 119.7508 55.3884 18.5251 179.8444 141 L 3.9340 8.0780 117.5927 57.9735 41.3752 179.7020 142 A 3.9987 8.0055 120.6415 55.1614 18.0258 179.7319 143 I 3.7411 7.2979 117.6701 64.2058 37.2533 178.4032 144 V 3.8174 7.6134 118.6963 65.5002 31.5004 176.9346 145 N 4.8618 8.0219 113.3528 52.1809 38.6936 174.5317 146 D 4.3899 7.1877 121.6721 53.5141 41.1161 174.4194 147 P 4.3680 0.0000 0.0000 64.2046 31.1572 176.6170 148 A 4.0547 8.4811 124.2436 53.2667 18.7371 177.6311 149 G 3.9848 8.7536 109.6003 45.9120 0.0000 173.0332 150 I 4.5566 7.0074 113.2640 58.9288 41.3082 174.3763 151 T 3.9781 8.4117 122.4848 62.5892 68.5043 172.8319 152 P 4.2839 0.0000 0.0000 63.1424 31.8107 176.1170 153 G 3.9261 7.8415 108.3827 45.7472 0.0000 170.7803 154 D 4.8962 8.7932 118.9458 52.8624 42.7165 176.5136 155 C 4.9106 8.3485 124.3070 59.5757 29.4989 176.5962 156 S 4.0535 8.3501 117.3466 61.6558 62.4184 175.9371 157 A 3.9389 7.9474 122.8122 55.1903 18.1041 179.0248 158 L 3.8588 7.9707 117.8615 58.4018 42.1432 178.7626 159 A 3.9995 8.3966 120.9286 55.4017 18.4135 179.5428 160 S 4.0183 8.1988 111.6475 61.3379 62.2782 176.0678 161 E 3.6716 8.1128 122.0230 59.1555 29.5361 178.8036 162 I 3.7505 8.0431 119.9654 64.4857 37.2137 178.1911 163 A 4.1900 8.1360 121.5197 55.1489 18.0995 179.3833 164 S 3.9928 7.6975 111.1607 62.0890 62.5342 176.2631 165 Y 4.3959 7.2571 119.1803 61.0158 37.5530 178.5699 166 F 4.1320 8.2493 118.4247 60.7881 39.0882 177.4271 167 D 4.4865 8.5181 118.5252 57.4658 40.6103 178.9669 168 R 4.0647 8.1529 118.4405 59.1854 30.0827 179.0294 169 A 4.0112 7.9338 120.0627 55.4634 17.9671 179.4789 170 C 4.2513 8.2418 115.0843 62.9063 27.9398 176.2962 171 A 4.0588 8.4749 121.6779 55.0939 18.1184 179.2756 172 A 4.1471 7.9855 117.4628 54.0224 18.7524 179.0052 173 V 4.3629 7.3845 108.1150 61.4472 32.5068 176.1740 174 S 4.4709 7.7127 119.0694 58.7784 62.8824 173.6261 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 1 M 8.30 4.29 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 2 F 8.94 4.82 0.00 3.17 2.92 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 3 D 9.24 5.07 0.00 3.08 2.85 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 4 A 8.21 3.89 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 F 7.85 4.35 0.00 3.31 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.92 4.15 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 7 K 8.37 3.45 0.00 1.94 1.98 0.00 1.01 0.00 0.00 1.36 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.34 7.81 8 V 7.44 3.53 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 0.94 0.00 0.00 0.94 0.00 0.00 9 V 7.81 3.56 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 1.06 0.00 0.00 0.99 0.00 0.00 10 S 8.21 4.11 0.00 3.87 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.78 3.95 0.00 2.02 2.08 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 2.25 2.41 0.00 12 A 8.10 3.96 1.45 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 0.00 0.00 13 D 8.44 4.31 0.00 2.81 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 14 T 7.61 3.91 4.38 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 1.21 0.00 0.00 15 R 7.48 4.42 0.00 1.89 1.96 0.00 3.30 0.00 0.00 3.22 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.84 0.00 16 G 8.16 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.13 4.74 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 2.24 2.25 0.00 18 M 8.26 4.43 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 19 L 8.19 4.11 0.00 1.65 1.62 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.37 4.47 0.00 4.05 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.44 3.88 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 22 A 7.90 3.96 1.31 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 0.00 0.00 23 Q 7.89 3.96 0.00 2.32 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 24 I 7.87 3.78 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.97 0.94 0.00 0.00 25 D 8.34 4.39 0.00 3.01 2.72 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 26 A 8.19 4.02 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 27 L 7.86 3.95 0.00 1.95 1.95 1.13 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.19 4.20 0.00 4.11 3.94 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 29 Q 8.19 3.96 0.00 2.18 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 30 M 7.60 4.08 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 31 V 7.89 3.73 2.32 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 1.05 0.00 0.00 1.22 0.00 0.00 32 A 8.19 4.07 1.39 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 0.00 0.00 33 E 7.89 4.34 0.00 2.05 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 0.00 2.44 2.43 0.00 34 S 7.67 4.07 0.00 4.05 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 N 8.28 4.30 0.00 2.79 2.94 0.00 0.00 7.13 6.90 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 36 K 8.01 4.01 0.00 1.91 1.87 0.00 1.67 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.45 7.81 37 R 7.93 3.90 0.00 1.87 2.16 0.00 3.07 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 38 L 8.09 4.18 0.00 1.78 1.77 0.93 0.87 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 39 D 8.14 4.36 0.00 2.93 2.74 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 40 A 8.08 4.03 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.84 3.57 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 1.10 0.00 0.00 1.18 0.00 0.00 42 N 8.46 4.33 0.00 2.91 3.03 0.00 0.00 7.31 8.47 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 43 R 8.30 3.94 0.00 1.88 2.00 0.00 3.24 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 44 I 8.09 3.92 1.92 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.40 0.99 0.00 0.00 45 T 8.03 3.86 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 46 S 8.31 4.36 0.00 3.86 3.94 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 47 N 7.89 5.02 0.00 2.78 2.76 0.00 0.00 6.71 8.27 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 48 A 8.06 3.96 1.35 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 57 R 7.93 3.95 0.00 1.96 1.96 0.00 3.13 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 58 S 8.02 4.05 0.00 3.99 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 59 L 7.76 3.81 0.00 1.56 1.29 0.91 0.73 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 60 F 7.52 4.49 0.00 3.22 3.01 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 61 A 7.80 4.21 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 62 E 8.12 4.19 0.00 2.12 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 2.33 2.45 0.00 63 Q 8.48 4.87 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.21 0.00 64 P 0.00 4.54 0.00 2.27 2.34 0.00 3.79 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 65 Q 8.08 4.07 0.00 2.26 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.95 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 66 L 8.14 4.04 0.00 1.94 1.87 1.11 0.52 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 67 I 7.50 4.09 1.72 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.54 0.30 0.00 0.00 68 A 7.62 4.02 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 69 P 0.00 2.97 0.00 1.68 1.32 0.00 3.43 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.63 0.00 70 G 8.47 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.36 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 0.00 0.00 0.00 0.00 *75 A 8.71 4.21 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 76 Y 7.62 4.28 0.00 3.03 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 77 T 7.06 3.03 3.94 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 0.52 0.00 0.00 78 S 8.47 4.00 0.00 3.81 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 79 R 7.90 3.83 0.00 1.82 1.88 0.00 3.17 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 1.69 1.72 0.00 80 R 7.56 3.92 0.00 2.14 1.96 0.00 3.20 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 81 M 8.08 3.97 0.00 2.22 2.06 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 82 A 8.53 3.97 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 8.17 3.95 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 C 8.48 4.11 0.00 3.14 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 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0.00 1.65 1.71 0.00 2.91 0.00 0.00 2.92 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.79 0.00 94 Y 7.63 3.83 0.00 3.02 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 7.73 3.44 1.84 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 0.38 0.00 0.00 0.66 0.00 0.00 96 T 7.79 3.97 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 1.20 0.00 0.00 97 Y 7.55 4.31 0.00 3.23 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.06 4.17 0.51 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 0.00 0.00 99 V 7.56 3.83 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.26 0.00 0.00 100 F 8.26 4.29 0.00 3.20 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 0.00 101 A 8.90 4.23 1.45 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 0.00 0.00 0.00 127 S 8.03 4.13 0.00 4.06 4.14 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 0.00 128 S 7.98 4.08 0.00 4.00 3.94 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 0.00 129 V 7.62 3.51 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 1.06 0.00 0.00 0.50 0.00 0.00 130 A 8.47 4.03 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 V 7.93 3.61 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 0.96 0.00 0.00 1.01 0.00 0.00 132 G 8.14 3.56 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 0.00 133 V 8.00 3.85 2.31 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 1.24 0.00 0.00 1.12 0.00 0.00 134 G 8.46 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.89 3.93 0.00 1.97 1.80 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.62 7.81 136 M 7.84 4.05 0.00 2.21 2.35 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.73 0.00 137 K 7.55 2.00 0.00 1.25 1.64 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.12 0.97 7.81 138 E 7.89 3.81 0.00 2.18 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 0.00 2.42 2.35 0.00 139 A 7.92 3.94 1.32 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 0.00 0.00 140 A 8.24 3.94 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 8.08 3.93 0.00 1.62 1.70 0.86 0.98 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 0.00 142 A 8.01 4.00 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 0.00 143 I 7.30 3.74 2.06 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.76 0.93 0.00 0.00 144 V 7.61 3.82 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 0.86 0.00 0.00 1.10 0.00 0.00 145 N 8.02 4.86 0.00 2.71 2.83 0.00 0.00 6.99 7.62 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 0.00 146 D 7.19 4.39 0.00 2.66 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.37 0.00 2.22 2.16 0.00 3.82 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 148 A 8.48 4.05 1.32 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 0.00 0.00 149 G 8.75 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 I 7.01 4.56 1.88 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 1.31 0.82 1.01 0.00 0.00 151 T 8.41 3.98 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 0.00 152 P 0.00 4.28 0.00 2.17 2.07 0.00 3.81 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 153 G 7.84 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 0.00 0.00 0.00 0.00 154 D 8.79 4.90 0.00 2.60 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 0.00 155 C 8.35 4.91 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 0.00 156 S 8.35 4.05 0.00 3.97 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 0.00 157 A 7.95 3.94 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 0.00 158 L 7.97 3.86 0.00 1.77 1.86 0.95 1.25 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 0.00 159 A 8.40 4.00 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 0.00 160 S 8.20 4.02 0.00 3.87 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 0.00 161 E 8.11 3.67 0.00 2.00 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 1.87 2.12 0.00 162 I 8.04 3.75 2.09 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.15 1.22 0.00 0.00 163 A 8.14 4.19 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 0.00 164 S 7.70 3.99 0.00 3.85 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 Y 7.26 4.40 0.00 2.90 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 0.00 166 F 8.25 4.13 0.00 3.35 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 0.00 167 D 8.52 4.49 0.00 2.91 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 0.00 168 R 8.15 4.06 0.00 2.20 2.06 0.00 3.38 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 169 A 7.93 4.01 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 C 8.24 4.25 0.00 3.22 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 0.00 171 A 8.47 4.06 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 0.00 172 A 7.99 4.15 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 0.00 173 V 7.38 4.36 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 0.99 0.00 0.00 1.14 0.00 0.00 174 S 7.71 4.47 0.00 3.91 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 * Residues marked with a * may have inaccurate shift predictions.