NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 E 4.3315 8.4293 120.2267 55.5643 30.9628 174.7575 8 P 4.3815 0.0000 0.0000 60.6730 32.4656 174.2770 9 K 3.9225 8.7213 122.3739 56.5037 33.4218 178.4005 10 V 4.1951 8.1053 126.4408 61.1456 32.3979 175.7157 11 V 3.7735 8.2056 126.5026 65.4739 31.3584 177.6325 12 G 3.6764 8.0901 104.5181 47.3454 0.0000 175.1562 13 V 3.8942 7.5532 119.7337 65.4511 31.9028 177.5693 14 E 4.1428 8.1895 118.6435 59.5777 29.1155 179.4766 15 I 3.7634 7.5264 111.6875 63.8119 37.8279 178.0887 16 L 4.1425 7.8070 120.4356 57.7030 41.6929 178.8908 17 E 4.0035 8.2079 118.5462 59.3509 29.1298 179.4490 18 K 3.9545 7.9453 117.7090 59.6454 32.1955 179.0683 19 S 4.3259 7.6725 113.3598 59.5207 62.7490 175.3761 20 G 3.8710 7.8250 109.6260 45.1808 0.0000 173.0796 21 L 3.9740 7.5666 121.3575 54.3640 42.7730 176.5999 22 D 4.5547 8.5752 125.3717 53.8448 41.4536 176.6480 23 I 3.8512 8.1930 129.4830 63.8316 37.3750 178.1800 24 K 3.8787 8.0228 120.2153 59.4139 32.2145 178.6324 25 K 3.9454 8.1666 119.5090 59.2254 31.9994 178.5438 26 L 3.9165 7.9996 120.6457 58.1817 42.0128 179.0338 27 V 3.5354 7.9659 118.3908 66.1175 31.2948 177.3058 28 D 4.3037 8.1470 117.6420 57.4496 41.0014 178.5436 29 K 3.9622 8.0340 118.7383 59.1829 32.0467 179.3885 30 L 4.0082 8.1933 119.6659 57.7607 41.5174 179.6958 31 V 3.6087 8.0949 118.5153 66.0047 31.3878 178.2816 32 K 4.0772 7.8302 118.0750 59.2815 31.3626 179.2902 33 A 3.5740 7.8037 121.0406 55.4150 18.0272 179.9278 34 T 4.2401 8.5325 114.4903 66.6270 68.4898 176.8950 35 A 4.1574 8.6316 123.1727 55.2574 18.4391 179.5686 36 A 4.1694 7.9730 120.0167 54.7178 18.4918 179.5909 37 E 4.0937 8.1131 116.7789 59.5219 29.4198 179.2986 38 F 3.8296 8.2747 121.1718 61.3078 38.9911 177.4285 39 T 3.8488 8.1475 109.6004 64.9218 68.5978 176.5599 40 T 3.7469 8.0046 118.6342 66.6659 68.2448 175.5335 41 Y 4.1962 7.4871 119.7345 60.9679 38.9879 177.5882 42 Y 3.6501 7.2585 120.1085 60.8903 38.9903 177.4010 43 Y 4.1525 8.4587 117.9276 61.2688 37.9491 178.1619 44 Y 4.2372 8.8598 117.9305 60.7789 37.6292 178.4652 45 T 3.7581 7.2279 116.0200 66.7156 68.6303 176.1826 46 I 3.7121 7.2552 119.4732 64.3421 37.2800 178.0067 47 L 4.0918 7.6545 118.5277 57.5201 41.8445 180.6652 48 R 4.0750 8.0171 118.5637 56.5503 29.8784 177.2671 *50 H 4.4709 8.0469 112.0316 54.7867 30.6673 174.7569 51 L 4.3849 7.6174 121.5786 53.6312 39.7550 175.5478 52 T 4.5912 7.7808 113.0747 60.4092 73.4726 177.7872 53 G 3.8767 8.2579 114.1500 46.9638 0.0000 174.9941 *55 E 4.3128 9.3243 120.4775 56.1069 31.3176 177.5603 56 G 3.8236 7.7291 103.5881 45.7608 0.0000 175.1535 57 E 4.0341 7.7929 121.1447 59.5888 29.5016 179.1329 58 G 3.7020 7.9770 103.0939 47.2793 0.0000 175.0236 59 L 4.2308 7.7636 120.7257 57.1085 41.5401 179.2793 60 K 3.9375 7.6976 118.1333 59.5575 32.0514 179.0550 61 E 3.9793 8.1168 117.0780 59.2336 29.4796 179.1281 62 I 3.4878 7.6655 120.3851 64.1068 37.2999 177.9797 63 A 4.3588 8.1882 121.7511 54.9635 18.1198 179.3180 64 E 3.9587 8.6263 118.3224 59.6227 29.7895 178.6801 65 D 4.4368 8.2129 118.6661 57.4394 40.8258 178.7794 66 A 3.9501 8.2228 120.8552 55.1052 18.4572 179.4106 67 R 3.9735 8.4634 117.2649 59.9859 30.0940 178.7891 68 L 4.0828 8.2745 118.6051 57.8072 41.5769 179.4275 69 E 3.9989 8.4281 118.7140 59.4238 29.4370 179.0900 70 D 4.3642 8.4925 119.2942 57.0869 40.8102 178.7223 71 R 3.8516 7.9966 119.5328 59.3972 29.9608 178.6188 72 L 4.1021 7.7825 118.4860 57.8011 41.3200 179.1488 73 H 4.2011 7.8508 115.9416 58.5531 28.6494 177.1987 74 F 4.4725 8.1206 121.5947 61.5232 39.1451 176.6909 75 E 3.9101 8.3083 118.1621 59.1570 28.8744 178.8327 76 L 4.0439 7.8837 116.6149 56.8819 41.6423 178.2511 *78 T 4.0784 7.6870 114.9192 64.0625 70.5855 175.5835 79 Q 3.9791 7.6264 120.5721 59.5437 28.8915 178.8321 80 R 3.9272 7.5517 119.1119 59.3215 30.1055 178.2802 81 I 3.6322 7.8164 119.2355 64.8788 37.1317 177.8337 82 Y 4.2893 7.8143 118.4571 60.3786 37.4768 177.9551 83 E 4.0704 8.1555 118.9015 59.1675 29.6498 178.4947 84 L 4.4017 7.7434 116.2129 54.6129 41.9621 177.6661 85 G 3.8327 8.0767 107.6833 45.3932 0.0000 173.9323 86 G 3.8273 7.8428 109.9993 44.1695 0.0000 172.8725 87 G 3.3109 7.5512 106.6525 43.6539 0.0000 172.4623 88 L 4.2858 8.0222 119.6131 53.1112 42.3552 175.8493 89 P 4.3533 0.0000 0.0000 62.7012 31.9104 176.8972 90 R 3.9826 8.7121 122.1040 58.8047 30.3686 176.7592 91 D 4.9055 7.9884 116.0560 52.4997 44.2774 176.9858 92 I 3.6476 8.1616 125.0497 64.0907 38.1357 178.5309 93 R 3.9743 9.0092 119.6214 59.0057 29.8603 178.7567 94 Q 3.9658 8.0750 117.5104 58.9177 28.5414 178.3595 95 L 3.9178 7.3643 119.6124 58.3695 41.8917 178.5785 96 A 4.2105 7.8583 119.8729 55.4932 18.1112 179.4187 97 D 4.4034 8.0024 116.4006 56.6986 40.9826 177.9824 98 I 4.1750 7.5244 110.9354 59.6591 38.4404 175.8993 99 S 4.1823 7.2069 115.0356 58.8545 62.5819 174.2554 100 A 4.0551 8.6932 130.6355 54.4550 18.3575 177.3050 101 C 4.8740 7.3414 111.6523 57.4605 31.0220 173.9461 102 S 4.1757 8.2945 116.3514 57.9354 62.6390 173.7981 103 D 3.8314 8.1947 126.0433 54.4175 41.1867 177.6748 104 A 4.1228 7.2327 129.6610 50.9775 17.2158 176.5484 105 Y 4.3037 6.7506 119.3503 56.6158 39.2075 176.5523 106 L 3.9704 8.4479 124.9484 54.4594 42.5160 175.3603 107 P 4.6195 0.0000 0.0000 62.1509 32.4394 176.1448 108 E 4.0653 8.7865 119.2705 59.0556 30.4062 177.1707 109 N 4.6488 7.7829 118.4377 52.1921 38.0102 175.7826 110 W 4.3509 7.6993 116.1230 59.1596 29.0169 178.2264 111 K 3.5383 6.9294 117.6600 58.4332 31.8534 176.2067 112 D 4.5227 7.7671 119.3616 52.4749 40.8662 175.0712 113 P 4.4171 0.0000 0.0000 65.5136 31.3035 178.4266 114 K 3.9143 8.0842 118.5691 59.3132 31.7148 178.9494 115 E 3.9723 8.1042 118.8125 59.3995 29.3791 179.4619 116 I 3.6927 7.6712 119.2893 64.4117 37.2205 178.2859 117 L 3.7637 8.0453 119.9024 57.5900 41.3254 179.7893 118 K 3.9435 8.0697 118.4727 59.3255 31.9850 179.5293 119 V 3.5084 7.4056 118.4994 65.9495 31.5077 177.9381 120 L 3.5550 7.5603 118.6374 57.5493 41.2626 179.3025 121 L 4.1366 7.9680 120.4282 58.3715 42.0590 178.9057 122 E 3.9931 8.4268 118.3520 59.2061 29.3798 179.1581 123 A 4.0365 8.1896 120.8360 55.4362 18.5386 179.6089 124 E 4.1484 8.5001 117.0370 59.7208 29.6316 179.6941 125 Q 4.0803 8.4585 118.3237 58.9103 28.7172 178.2418 126 C 4.1016 8.2192 119.6651 62.4246 31.5459 175.4380 127 A 3.9848 8.1727 122.3648 55.1386 17.9508 179.6696 128 I 3.7324 7.8955 118.2513 64.7806 37.3417 178.8622 129 R 3.9581 7.8506 118.3153 59.4545 29.6938 179.3658 130 T 3.6668 7.9546 115.4557 66.5841 68.5227 176.9704 131 W 4.3982 8.2605 120.8992 59.3007 29.0639 178.6710 132 K 4.0265 8.3561 120.1104 59.3045 31.3702 178.4208 133 E 3.9427 7.9186 118.6996 59.2389 29.6382 178.6351 134 V 3.8010 7.3885 117.0914 66.2512 31.8392 177.2917 135 C 4.5408 8.3119 116.4017 63.0684 27.7455 176.6733 136 D 4.7253 7.8965 115.8629 55.3606 40.0913 177.5887 *138 T 4.3213 7.9129 111.5961 61.2891 70.7128 172.8712 139 Y 3.8107 8.2082 123.6527 59.3159 38.7507 176.1771 140 G 3.5067 8.7189 114.2873 45.7233 0.0000 173.3363 141 K 4.4352 7.7704 116.4850 57.0509 36.8903 176.1358 142 D 4.7807 8.2922 119.3863 50.4272 41.4025 173.5299 143 P 4.3095 0.0000 0.0000 65.1202 31.6288 177.6853 144 R 3.8893 7.9314 116.6978 59.9169 30.1170 178.5650 145 T 3.9007 8.0589 115.0442 66.6403 68.4509 176.0278 146 Y 4.0871 8.3505 123.1261 60.1607 38.8481 177.7259 147 D 4.2684 8.3324 118.8392 57.3129 41.3489 178.2792 148 L 3.8241 7.8285 119.1308 57.7203 41.5659 179.3495 149 A 3.5955 8.0869 121.0473 54.9482 18.3069 179.4487 150 Q 3.6019 8.0762 118.3905 59.1375 28.9191 178.6220 151 R 3.7821 7.7684 118.9926 59.2707 30.1437 179.0539 152 I 3.1365 7.2598 119.2354 64.0943 36.8924 177.9367 153 L 3.8731 7.6332 121.3777 58.4673 41.6432 178.7738 154 Q 3.8501 7.9234 119.0356 59.4045 28.8604 178.3203 155 E 3.9833 7.7822 119.5367 59.1066 29.3787 179.1139 156 E 3.7869 8.0627 118.8449 59.2413 29.4804 179.2628 157 I 3.6259 7.8529 120.0742 64.4341 37.1276 178.3345 158 E 3.6666 7.6120 119.3679 59.4659 29.3276 179.1066 159 H 2.8893 7.5945 116.3735 58.3889 28.6662 177.3516 160 E 4.0742 8.3120 121.1149 59.4299 29.5363 178.7433 161 A 4.0289 7.8533 120.6657 54.8118 18.2334 179.6583 162 W 4.2584 7.9406 117.5358 60.2057 29.0839 178.8157 163 F 4.6537 7.7866 117.1017 60.3950 38.3691 177.8975 164 L 4.3424 8.5691 119.3135 57.9368 41.1932 179.1686 165 E 4.5976 8.0552 119.5759 58.4506 29.5981 178.6921 166 L 4.2167 7.5810 118.5868 57.6183 42.0008 178.9621 167 L 3.9495 8.1653 117.6779 57.1042 41.8623 177.1809 168 Y 4.6436 7.5762 113.9218 56.4438 40.1309 175.2641 169 G 4.0392 8.4856 107.1374 45.9993 0.0000 173.8661 170 R 4.2755 8.0742 121.6095 53.8244 30.3935 173.8771 171 P 4.6486 0.0000 0.0000 63.4198 31.2248 174.3762 172 S 4.8621 7.8541 113.4414 58.5672 70.0800 177.2689 173 G 4.1285 7.6516 115.4022 44.0599 0.0000 171.8231 174 H 4.2622 8.8755 125.3249 56.2056 29.9668 172.5442 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 7 E 8.43 4.33 0.00 1.98 1.97 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 2.22 2.31 0.00 8 P 0.00 4.38 0.00 2.26 2.04 0.00 3.77 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.02 0.00 9 K 8.72 3.92 0.00 1.74 1.77 0.00 1.73 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.42 1.59 7.81 10 V 8.11 4.20 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 1.05 0.00 0.00 0.99 0.00 0.00 11 V 8.21 3.77 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 0.99 0.00 0.00 0.93 0.00 0.00 12 G 8.09 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.55 3.89 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.93 0.00 0.00 14 E 8.19 4.14 0.00 2.21 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 2.52 0.00 15 I 7.53 3.76 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 1.74 0.52 0.93 0.00 0.00 16 L 7.81 4.14 0.00 1.99 1.75 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.21 4.00 0.00 2.17 2.00 0.00 0.00 0.00 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 2.52 0.00 18 K 7.95 3.95 0.00 1.89 1.87 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.59 7.81 19 S 7.67 4.33 0.00 3.93 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 7.82 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 21 L 7.57 3.97 0.00 1.60 1.75 0.94 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.58 4.55 0.00 2.75 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 23 I 8.19 3.85 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 1.53 0.67 0.90 0.00 0.00 24 K 8.02 3.88 0.00 1.81 1.91 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.48 7.81 25 K 8.17 3.95 0.00 1.90 1.92 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.44 7.81 26 L 8.00 3.92 0.00 1.89 1.80 0.97 0.68 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 27 V 7.97 3.54 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 0.95 0.00 0.00 0.91 0.00 0.00 28 D 8.15 4.30 0.00 2.92 2.80 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 29 K 8.03 3.96 0.00 1.99 1.77 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.60 7.81 30 L 8.19 4.01 0.00 2.00 1.76 1.08 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.09 3.61 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 1.07 0.00 0.00 0.93 0.00 0.00 32 K 7.83 4.08 0.00 1.69 1.81 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.63 1.55 7.81 33 A 7.80 3.57 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.53 4.24 4.40 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 1.39 0.00 0.00 35 A 8.63 4.16 1.50 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 0.00 0.00 0.00 36 A 7.97 4.17 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 37 E 8.11 4.09 0.00 2.58 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 2.97 2.92 0.00 38 F 8.27 3.83 0.00 2.63 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 39 T 8.15 3.85 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 40 T 8.00 3.75 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 0.22 0.00 0.00 41 Y 7.49 4.20 0.00 2.70 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 42 Y 7.26 3.65 0.00 2.60 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 43 Y 8.46 4.15 0.00 3.18 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 44 Y 8.86 4.24 0.00 3.04 3.03 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 45 T 7.23 3.76 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 46 I 7.26 3.71 1.88 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.02 0.78 0.00 0.00 47 L 7.65 4.09 0.00 1.48 1.56 0.75 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.02 4.07 0.00 2.00 2.02 0.00 3.14 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 *50 H 8.05 4.47 0.00 2.97 3.04 0.00 5.75 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.62 4.38 0.00 1.82 1.83 0.91 0.78 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 52 T 7.78 4.59 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 1.26 0.00 0.00 53 G 8.26 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 *55 E 9.32 4.31 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.31 0.00 56 G 7.73 3.82 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 0.00 0.00 0.00 57 E 7.79 4.03 0.00 2.32 1.97 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 2.31 2.38 0.00 58 G 7.98 3.70 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 0.00 0.00 0.00 59 L 7.76 4.23 0.00 1.87 1.78 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 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0.87 0.63 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 *78 T 7.69 4.08 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 79 Q 7.63 3.98 0.00 2.12 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.48 2.38 0.00 80 R 7.55 3.93 0.00 1.79 1.92 0.00 3.28 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 81 I 7.82 3.63 1.96 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 1.60 0.59 0.60 0.00 0.00 82 Y 7.81 4.29 0.00 3.16 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.16 4.07 0.00 2.17 2.04 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 2.37 2.57 0.00 84 L 7.74 4.40 0.00 1.77 1.69 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.08 3.83 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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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 0.00 136 D 7.90 4.73 0.00 2.88 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 *138 T 7.91 4.32 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 1.37 0.00 0.00 139 Y 8.21 3.81 0.00 2.95 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 8.72 3.51 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 0.00 141 K 7.77 4.44 0.00 1.67 1.76 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.78 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.28 1.48 7.81 142 D 8.29 4.78 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 P 0.00 4.31 0.00 2.21 2.11 0.00 3.66 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 144 R 7.93 3.89 0.00 1.93 1.94 0.00 3.23 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 145 T 8.06 3.90 4.35 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 0.00 0.00 0.00 1.29 0.00 0.00 146 Y 8.35 4.09 0.00 3.20 3.20 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 0.00 147 D 8.33 4.27 0.00 3.02 2.80 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 0.00 148 L 7.83 3.82 0.00 1.67 1.55 0.89 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 149 A 8.09 3.60 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 0.00 150 Q 8.08 3.60 0.00 1.27 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.21 2.44 0.00 151 R 7.77 3.78 0.00 1.98 1.81 0.00 3.10 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 152 I 7.26 3.14 0.86 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.48 -0.48 0.00 0.00 153 L 7.63 3.87 0.00 1.85 1.74 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 154 Q 7.92 3.85 0.00 2.33 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 155 E 7.78 3.98 0.00 2.00 1.80 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 2.43 2.27 0.00 156 E 8.06 3.79 0.00 2.08 2.04 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 2.40 2.72 0.00 157 I 7.85 3.63 1.95 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 1.49 0.60 0.86 0.00 0.00 158 E 7.61 3.67 0.00 1.69 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 2.27 2.38 0.00 159 H 7.59 2.89 0.00 3.25 3.25 0.00 5.65 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 0.00 160 E 8.31 4.07 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 161 A 7.85 4.03 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 0.00 162 W 7.94 4.26 0.00 2.86 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 0.00 163 F 7.79 4.65 0.00 3.23 3.07 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 0.00 164 L 8.57 4.34 0.00 1.99 1.86 1.03 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 165 E 8.06 4.60 0.00 2.26 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 166 L 7.58 4.22 0.00 1.89 1.77 1.12 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 167 L 8.17 3.95 0.00 1.67 0.79 0.90 0.46 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 0.00 168 Y 7.58 4.64 0.00 3.14 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 0.00 169 G 8.49 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 R 8.07 4.28 0.00 1.92 1.92 0.00 3.17 0.00 0.00 3.41 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 171 P 0.00 4.65 0.00 2.24 2.07 0.00 3.86 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 172 S 7.85 4.86 0.00 4.04 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 0.00 173 G 7.65 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 0.00 174 H 8.88 4.26 0.00 3.08 3.06 0.00 5.77 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.