NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.6362 8.4093 119.2033 53.8778 39.4327 173.9025 4 T 4.4116 8.2884 117.2572 58.8249 72.4252 172.7498 5 P 4.2680 0.0000 0.0000 65.1224 31.6190 179.9598 6 E 3.9076 8.0313 117.0031 59.3878 29.4468 179.3797 7 S 4.1379 7.9415 114.3153 61.5260 63.0446 176.8383 8 R 4.0190 7.9091 121.5647 58.7300 29.7229 178.9122 9 L 3.9432 8.0012 119.0417 57.6619 41.6137 179.6385 10 V 3.5100 7.8255 117.7892 66.1431 31.3234 177.9131 11 A 4.1402 8.3100 118.9746 54.8405 18.2473 178.5322 12 A 4.3226 7.8852 116.7251 51.6759 18.9402 177.5720 13 G 3.8349 8.2198 105.6056 46.3684 0.0000 173.5495 14 L 4.5925 8.3697 122.2971 53.1468 43.2769 176.6228 15 E 4.6654 8.4876 119.3680 53.7617 31.6788 172.7092 16 L 4.2282 8.3540 124.2888 52.9237 42.2890 175.4780 17 P 4.5141 0.0000 0.0000 62.5016 32.2610 176.4002 18 E 4.0786 8.3507 115.0302 55.5832 30.1523 176.5317 19 V 3.7775 8.2050 122.7929 61.8102 32.1636 175.9353 20 A 3.9945 8.3934 129.8283 51.5937 19.0353 176.7505 21 A 4.0887 8.1001 122.8792 51.2788 19.2504 177.8123 22 A 3.9446 8.2399 123.6895 52.7420 18.6305 178.0364 23 L 4.3619 9.0382 120.2735 55.6582 42.3113 177.2671 24 G 4.1653 7.0146 105.9280 45.6219 0.0000 172.6360 25 N 4.6841 8.6985 115.2470 52.1254 37.3526 173.0168 26 Y 4.9497 6.6164 115.4800 55.1146 41.8070 175.0825 27 E 4.3687 8.5595 119.5061 54.5961 30.7918 176.2857 28 P 4.5387 0.0000 0.0000 65.3828 31.7774 175.4309 29 Y 5.1163 6.6935 112.3073 55.9263 40.8673 173.4213 30 S 4.8042 8.4297 113.9667 56.8509 66.4511 172.8259 31 I 4.9195 8.2365 120.5292 59.5183 40.4137 175.3483 32 V 4.4322 8.6746 124.6950 60.6020 34.5244 176.3416 33 G 3.9834 8.5662 114.8074 46.9424 0.0000 173.6788 34 S 4.6268 8.9148 119.1127 57.6520 63.3873 172.4396 35 Q 5.2157 8.4793 121.8551 54.6999 30.7312 174.9198 36 L 5.5132 9.4418 126.5368 52.7004 45.2867 174.8573 *38 T 4.5614 8.1652 110.5862 61.6543 69.9595 174.0891 39 S 4.6663 8.6460 119.4408 57.6011 64.8626 173.9449 40 G 2.6153 8.4354 107.9756 46.3880 0.0000 173.2894 41 Q 4.8848 8.3139 123.4571 53.9707 31.8396 174.9090 42 F 4.9340 8.8468 121.0511 54.7272 42.7553 173.5986 43 P 4.9413 0.0000 0.0000 62.4956 29.3992 174.1415 44 Y 5.1636 7.9377 122.8667 57.3962 39.9470 175.1935 45 L 4.6899 8.6825 125.0061 54.5103 44.8370 176.4110 46 Q 3.4301 9.8854 125.5215 57.1349 26.2720 174.8399 47 G 3.7647 8.4109 103.1114 45.4381 0.0000 173.6033 48 K 4.4958 7.9794 121.8623 54.0162 33.7679 174.9894 49 L 4.2927 8.5563 128.1433 54.7651 41.6319 176.3651 50 L 3.9710 8.4830 127.6372 56.4250 42.1398 176.9151 51 Y 4.3441 7.7393 115.0497 54.9350 39.7663 174.5881 52 Q 5.6220 9.5513 123.5511 54.8247 31.6054 175.6161 53 G 3.9844 7.6648 113.6090 45.4601 0.0000 169.6940 54 Q 4.8300 8.7638 122.5383 53.6842 32.1982 175.3629 55 L 4.4759 9.0788 127.7840 56.5761 42.5950 177.1938 56 G 4.1329 9.6796 114.7721 45.1488 0.0000 173.7821 57 A 4.4165 7.8533 119.6379 53.6262 20.4641 177.1841 58 D 4.4929 8.2866 113.5725 54.8875 41.9735 176.8998 59 Y 5.0421 7.4464 115.5366 55.6558 41.4503 175.3178 60 T 4.2664 9.0785 114.9639 60.9075 71.3581 176.2065 61 V 3.6394 8.2767 120.1427 66.1738 31.5089 177.9405 62 S 4.1284 8.0836 113.5845 61.4314 62.7723 176.2570 63 E 4.1804 8.2812 122.2268 59.1272 29.1838 179.3059 64 G 3.5573 8.4019 106.0829 47.9229 0.0000 174.8649 65 Y 4.1542 8.3378 121.9299 60.5444 38.8067 178.1548 66 A 4.0437 8.2641 121.3173 55.1239 18.3596 179.5224 67 A 3.1479 7.5396 119.4085 55.2605 18.3278 179.7545 68 C 3.9304 8.0733 115.6012 62.5421 28.0007 176.2888 69 R 3.8194 7.8142 120.5229 59.3510 29.6921 178.4023 70 L 3.9302 7.9936 119.8875 58.0916 42.0358 178.6527 71 A 4.2762 8.1048 122.3457 54.9960 18.1186 179.8146 72 T 3.7878 7.9382 114.2748 66.4694 68.4864 176.6773 73 L 3.9853 8.2021 122.6233 58.3014 42.0676 178.8047 74 N 4.3637 8.3895 116.0993 56.3765 38.4834 177.2341 75 A 4.0114 8.1959 122.2884 55.2328 18.3506 179.7967 76 I 3.7346 8.3922 118.6087 64.3340 37.1778 178.3621 77 A 3.9962 8.2035 121.7955 55.2934 18.1774 179.5149 78 Q 3.9437 8.0661 117.9683 59.3121 29.1600 178.4117 79 L 3.8387 8.0816 120.1566 57.5335 41.6336 179.4061 80 K 3.9303 8.4143 120.0325 59.4427 31.9149 178.5002 81 Q 3.9428 7.9291 118.6323 59.3270 29.0030 178.0923 82 A 3.7963 7.5825 120.8510 53.9287 18.3782 178.2557 83 C 4.6643 8.0493 109.3991 57.9244 30.7062 174.5758 84 G 4.1929 9.0235 116.8886 44.8648 0.0000 173.0613 85 E 4.7870 7.5074 117.3232 53.3929 32.1941 177.4975 86 L 4.2459 9.2385 124.7343 57.1943 41.9353 179.5089 87 S 4.3059 8.0630 112.4087 60.8504 62.9938 175.7919 88 R 4.0243 7.8770 119.6546 58.5124 29.9535 176.8801 89 I 4.1325 7.5118 119.7430 60.8366 37.3801 176.0359 90 K 4.3832 9.1380 126.9828 59.3723 32.5321 177.6858 91 Q 4.7360 7.7886 114.8696 55.3687 31.6852 174.0147 92 I 4.3961 8.6789 124.2784 60.6693 36.2404 175.0578 93 Y 4.4913 8.5083 125.8720 58.3825 39.7222 175.4393 94 R 5.0282 7.3205 120.1361 54.7080 34.0487 173.0078 95 L 5.2925 8.8237 127.6405 53.3074 45.2081 174.7291 96 E 4.9785 9.6103 125.1183 54.5871 33.2267 175.0201 97 G 4.5812 8.7630 110.6134 44.3682 0.0000 171.2339 98 V 5.3100 9.1049 122.6081 60.9141 34.7347 174.3824 99 L 5.2996 8.9183 126.3888 52.9584 46.2750 174.8410 100 N 5.3016 8.8650 120.6517 51.7538 40.3305 173.9630 101 V 4.8690 8.1872 125.5304 61.1782 34.6183 174.5262 102 H 4.5135 9.4482 128.4603 55.7781 30.4946 176.1631 103 Q 3.9786 8.4558 122.1148 59.1824 28.3650 177.8065 104 S 4.3345 8.1157 110.8363 59.2702 63.4419 173.1457 105 C 4.8295 8.2591 122.2725 57.8094 33.3008 173.2181 106 I 4.6081 8.4654 119.4565 60.9948 37.8621 175.1647 107 E 4.5534 8.1427 119.0171 57.3796 29.4780 177.9996 108 H 4.3177 8.3306 118.6954 58.2839 28.5435 175.4189 109 P 4.1618 0.0000 0.0000 65.2448 30.8727 178.5957 110 K 4.0641 7.8507 116.4109 59.2219 32.1633 178.8482 111 A 4.2969 7.9270 120.6363 55.2462 18.4738 179.2967 112 L 3.8710 8.2687 118.4999 57.7148 42.1361 178.5732 113 D 4.5556 8.0522 118.5753 56.8916 40.4547 178.6093 114 G 2.3140 7.6914 106.7166 47.0675 0.0000 175.6552 115 A 4.0504 7.5549 124.1514 54.4873 18.6118 179.7197 116 S 4.1025 7.9598 113.0435 62.0956 62.9367 176.7095 117 D 4.4222 8.5898 121.6927 57.2795 40.4544 178.6699 118 L 3.9811 7.5811 119.5103 57.9596 42.0164 178.8713 119 L 4.2036 7.9299 119.0228 58.0492 41.6147 179.6301 120 L 4.1027 7.9925 118.6643 57.6851 41.3378 179.1038 121 E 3.9507 8.2468 118.4501 59.2050 29.7364 178.3662 122 I 3.9415 8.1731 119.5233 62.9303 37.5653 177.2431 123 F 4.6254 8.7341 116.7816 56.5311 39.8648 177.0246 124 G 3.8667 8.7621 108.4573 46.4549 0.0000 177.0898 125 E 3.9188 8.8370 120.6407 59.0675 29.7751 178.5395 126 A 4.1669 8.1491 121.4397 53.9816 18.4892 178.5495 127 G 4.0088 8.0560 103.7736 45.1928 0.0000 174.0617 128 R 4.3143 7.6914 120.6933 56.2458 30.3117 175.8765 129 H 5.2565 8.3443 118.7753 53.7844 32.1555 173.2058 130 S 4.6002 8.7123 115.3955 58.4858 64.8757 173.1543 131 R 5.3670 7.6381 113.8914 55.5013 30.9753 173.4818 *133 I 3.9331 8.0981 116.5793 61.3064 38.9975 176.1708 134 W 5.4191 9.0975 127.1716 55.1961 33.7546 173.9430 135 T 5.8226 8.6330 111.6854 59.5096 70.2594 173.2482 136 N 5.2464 8.5424 120.5164 50.9091 42.3956 173.7768 137 P 4.3589 0.0000 0.0000 64.7768 31.9771 175.8671 138 V 4.4058 7.1933 116.3023 60.2963 35.1209 172.0735 *140 P 4.1727 0.0000 0.0000 63.4880 32.1362 177.2082 141 L 3.7889 9.1832 119.7660 54.9159 39.3596 173.8038 142 N 4.2409 8.2503 114.6396 54.2978 37.4216 173.7825 143 S 4.7067 8.1527 109.8144 57.6453 63.2438 173.9100 144 L 4.6431 8.9510 128.6196 57.6975 42.8405 176.1436 145 C 5.2848 7.8147 110.8123 57.1284 33.0833 173.7090 146 L 4.5941 8.8887 118.9260 53.0614 45.8728 175.6251 147 V 4.8840 8.3067 122.4211 61.2725 34.9685 173.7509 148 Y 4.9257 9.1846 123.9924 56.1482 41.5542 174.4461 149 L 5.2433 8.3959 122.8346 52.9234 45.3029 175.9500 150 F 4.8966 8.8698 119.7605 55.6003 42.4629 174.0066 151 A 5.0787 9.2332 125.0009 50.0419 22.7518 174.0525 152 E 5.0463 9.3793 122.1722 54.8001 31.6781 176.0549 153 L 4.4365 8.8506 126.4219 54.8680 41.5876 176.3688 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 N 8.41 4.64 0.00 2.69 2.83 0.00 0.00 6.90 6.82 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 4 T 8.29 4.41 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 5 P 0.00 4.27 0.00 1.88 1.20 0.00 3.81 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 2.08 1.77 0.00 6 E 8.03 3.91 0.00 2.01 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 2.37 2.39 0.00 7 S 7.94 4.14 0.00 4.04 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 8 R 7.91 4.02 0.00 1.94 1.95 0.00 3.19 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 9 L 8.00 3.94 0.00 1.83 1.85 0.85 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.83 3.51 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 0.98 0.00 0.00 0.94 0.00 0.00 11 A 8.31 4.14 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 12 A 7.89 4.32 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 13 G 8.22 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.37 4.59 0.00 1.71 1.60 0.92 0.70 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 15 E 8.49 4.67 0.00 1.97 1.71 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 2.14 1.87 0.00 16 L 8.35 4.23 0.00 1.63 1.65 0.92 1.12 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 17 P 0.00 4.51 0.00 2.21 2.11 0.00 3.79 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 18 E 8.35 4.08 0.00 2.01 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.87 0.00 19 V 8.21 3.78 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.96 0.00 0.00 20 A 8.39 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.10 4.09 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 22 A 8.24 3.94 0.38 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 23 L 9.04 4.36 0.00 1.93 1.87 1.05 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.01 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 0.00 0.00 0.00 0.00 25 N 8.70 4.68 0.00 2.76 2.80 0.00 0.00 6.52 7.46 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 26 Y 6.62 4.95 0.00 2.99 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 27 E 8.56 4.37 0.00 1.97 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.14 0.00 28 P 0.00 4.54 0.00 2.49 2.35 0.00 3.52 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 29 Y 6.69 5.12 0.00 3.06 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 30 S 8.43 4.80 0.00 3.99 3.96 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 31 I 8.24 4.92 1.96 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 1.59 0.90 1.00 0.00 0.00 32 V 8.67 4.43 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 0.96 0.00 0.00 0.97 0.00 0.00 33 G 8.57 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 34 S 8.91 4.63 0.00 4.24 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 35 Q 8.48 5.22 0.00 2.26 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.64 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 36 L 9.44 5.51 0.00 1.73 1.71 0.86 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 *38 T 8.17 4.56 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 1.14 0.00 0.00 39 S 8.65 4.67 0.00 3.98 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.44 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.31 4.88 0.00 1.88 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.63 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 42 F 8.85 4.93 0.00 2.56 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 43 P 0.00 4.94 0.00 2.33 2.38 0.00 3.73 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 2.13 1.97 0.00 44 Y 7.94 5.16 0.00 3.24 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 45 L 8.68 4.69 0.00 1.72 1.51 0.96 1.20 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 46 Q 9.89 3.43 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.74 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 47 G 8.41 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 0.00 0.00 0.00 48 K 7.98 4.50 0.00 1.90 1.81 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.34 1.21 7.81 49 L 8.56 4.29 0.00 1.38 1.54 0.65 0.92 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 50 L 8.48 3.97 0.00 1.81 1.04 0.90 0.57 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 51 Y 7.74 4.34 0.00 2.80 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 0.00 0.00 0.00 0.00 52 Q 9.55 5.62 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.13 0.00 0.00 0.00 0.00 0.00 2.42 2.31 0.00 53 G 7.66 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 54 Q 8.76 4.83 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.72 6.94 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 55 L 9.08 4.48 0.00 1.86 1.60 1.03 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 56 G 9.68 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 0.00 0.00 0.00 0.00 57 A 7.85 4.42 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 58 D 8.29 4.49 0.00 2.29 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 0.00 0.00 0.00 0.00 59 Y 7.45 5.04 0.00 3.09 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 60 T 9.08 4.27 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 61 V 8.28 3.64 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 1.22 0.00 0.00 0.98 0.00 0.00 62 S 8.08 4.13 0.00 4.07 4.09 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 63 E 8.28 4.18 0.00 2.46 2.34 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 2.55 2.48 0.00 64 G 8.40 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 65 Y 8.34 4.15 0.00 3.09 3.13 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 66 A 8.26 4.04 1.49 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 0.00 0.00 67 A 7.54 3.15 0.38 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 68 C 8.07 3.93 0.00 2.82 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 69 R 7.81 3.82 0.00 1.70 2.03 0.00 3.18 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 70 L 7.99 3.93 0.00 1.93 1.81 1.04 1.07 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 71 A 8.10 4.28 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 72 T 7.94 3.79 4.33 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 1.20 0.00 0.00 73 L 8.20 3.99 0.00 1.87 1.88 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 74 N 8.39 4.36 0.00 3.05 2.96 0.00 0.00 6.93 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 75 A 8.20 4.01 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 76 I 8.39 3.73 2.07 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.92 1.03 0.00 0.00 77 A 8.20 4.00 1.46 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 0.00 0.00 78 Q 8.07 3.94 0.00 2.34 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 79 L 8.08 3.84 0.00 1.89 1.66 0.81 0.39 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 80 K 8.41 3.93 0.00 1.81 1.93 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.55 7.81 81 Q 7.93 3.94 0.00 2.11 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 82 A 7.58 3.80 0.16 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 83 C 8.05 4.66 0.00 3.09 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 84 G 9.02 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 0.00 0.00 0.00 85 E 7.51 4.79 0.00 1.97 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 0.00 2.28 2.23 0.00 86 L 9.24 4.25 0.00 1.86 1.88 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.06 4.31 0.00 3.99 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 88 R 7.88 4.02 0.00 2.02 2.06 0.00 3.17 0.00 0.00 3.47 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 89 I 7.51 4.13 2.11 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 1.29 0.51 0.86 0.00 0.00 90 K 9.14 4.38 0.00 1.77 1.90 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.42 7.81 91 Q 7.79 4.74 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.00 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 92 I 8.68 4.40 1.64 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 -0.11 0.75 0.00 0.00 93 Y 8.51 4.49 0.00 2.96 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 94 R 7.32 5.03 0.00 1.71 1.20 0.00 3.20 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.46 0.00 95 L 8.82 5.29 0.00 1.63 1.41 0.89 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 96 E 9.61 4.98 0.00 2.29 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 0.00 2.18 2.39 0.00 97 G 8.76 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 9.10 5.31 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 1.16 0.00 0.00 1.14 0.00 0.00 99 L 8.92 5.30 0.00 1.69 1.52 0.97 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 100 N 8.86 5.30 0.00 2.90 2.89 0.00 0.00 6.48 7.25 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 0.00 101 V 8.19 4.87 2.02 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 0.87 0.00 0.00 0.90 0.00 0.00 102 H 9.45 4.51 0.00 3.40 3.22 0.00 5.65 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Q 8.46 3.98 0.00 2.41 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.33 1.93 0.00 104 S 8.12 4.33 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 0.00 105 C 8.26 4.83 0.00 2.96 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 0.00 106 I 8.47 4.61 1.92 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 1.44 0.87 0.95 0.00 0.00 107 E 8.14 4.55 0.00 2.06 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 2.38 2.25 0.00 108 H 8.33 4.32 0.00 3.37 3.56 0.00 5.46 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 P 0.00 4.16 0.00 2.13 2.06 0.00 3.50 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 110 K 7.85 4.06 0.00 1.97 1.93 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.47 7.81 111 A 7.93 4.30 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 0.00 112 L 8.27 3.87 0.00 1.74 1.65 0.89 1.52 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 0.00 113 D 8.05 4.56 0.00 3.16 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 0.00 114 G 7.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.55 4.05 1.29 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 0.00 0.00 116 S 7.96 4.10 0.00 3.90 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 0.00 117 D 8.59 4.42 0.00 2.75 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 0.00 118 L 7.58 3.98 0.00 1.86 1.79 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.93 4.20 0.00 1.97 1.74 0.62 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.99 4.10 0.00 1.92 1.76 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.25 3.95 0.00 2.10 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 0.00 2.32 2.37 0.00 122 I 8.17 3.94 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.76 0.41 0.00 0.00 123 F 8.73 4.63 0.00 3.29 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 0.00 124 G 8.76 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 0.00 125 E 8.84 3.92 0.00 2.04 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 2.42 2.27 0.00 126 A 8.15 4.17 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 0.00 127 G 8.06 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 0.00 128 R 7.69 4.31 0.00 1.68 1.89 0.00 3.25 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 129 H 8.34 5.26 0.00 3.07 3.39 0.00 5.52 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 S 8.71 4.60 0.00 3.91 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 0.00 131 R 7.64 5.37 0.00 2.03 1.98 0.00 2.64 0.00 0.00 3.82 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.47 0.00 *133 I 8.10 3.93 1.72 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 1.37 0.81 0.76 0.00 0.00 134 W 9.10 5.42 0.00 3.33 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 0.00 135 T 8.63 5.82 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 1.08 0.00 0.00 136 N 8.54 5.25 0.00 2.66 2.69 0.00 0.00 6.88 8.03 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 0.00 137 P 0.00 4.36 0.00 2.19 2.19 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 138 V 7.19 4.41 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 0.89 0.00 0.00 0.95 0.00 0.00 *140 P 0.00 4.17 0.00 2.68 2.18 0.00 3.89 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 2.15 2.21 0.00 141 L 9.18 3.79 0.00 1.75 1.69 0.43 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 142 N 8.25 4.24 0.00 2.98 2.86 0.00 0.00 6.74 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 0.00 143 S 8.15 4.71 0.00 4.17 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 0.00 144 L 8.95 4.64 0.00 1.85 1.57 1.15 0.22 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 0.00 145 C 7.81 5.28 0.00 2.97 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 0.00 146 L 8.89 4.59 0.00 1.45 1.32 0.79 -0.59 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 0.00 147 V 8.31 4.88 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 1.02 0.00 0.00 0.86 0.00 0.00 148 Y 9.18 4.93 0.00 3.12 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 0.00 149 L 8.40 5.24 0.00 1.38 1.40 0.85 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 150 F 8.87 4.90 0.00 2.06 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 0.00 0.00 0.00 0.00 151 A 9.23 5.08 1.11 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 0.00 0.00 152 E 9.38 5.05 0.00 2.18 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 2.26 2.28 0.00 153 L 8.85 4.44 0.00 1.55 1.56 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.