NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 K 4.2270 8.1733 121.7884 56.0738 33.4098 173.9623 1 L 4.8061 8.2027 125.3345 52.5044 42.8110 174.9881 2 A 4.0938 9.7526 127.8539 54.8198 20.0541 176.5303 3 Y 5.1839 7.9429 110.5863 56.6052 43.0561 174.6770 4 S 5.2823 9.2665 117.6280 56.3419 66.8130 173.4265 5 L 3.8271 8.6698 126.9946 55.1301 42.4654 176.9344 6 D 4.5177 9.4388 126.7460 53.4547 39.9267 176.3156 7 A 3.9925 8.4223 129.5801 55.0223 18.7572 179.8934 8 T 4.0239 7.8522 103.7410 63.6936 69.2570 175.2841 9 A 4.2885 7.7805 124.4692 53.6475 19.2119 177.4950 10 S 5.1733 7.6282 112.0268 57.8245 64.4965 173.8708 11 F 5.2315 8.5204 116.5850 55.3215 41.8590 173.1758 12 L 5.4415 8.7680 120.7115 53.8270 45.3644 174.7329 13 N 5.5627 10.0558 123.5933 51.6969 42.4381 173.4694 14 F 5.6011 8.7022 114.7562 55.5323 42.0033 173.2421 15 V 4.8765 8.7451 120.6257 61.2658 33.3732 175.1055 16 S 4.9919 8.8979 122.4470 57.0150 66.3854 172.9997 17 S 5.5690 8.6366 114.3453 55.9377 65.3453 172.5771 18 K 5.0158 8.6550 125.7137 54.8031 35.1594 178.1391 19 K 3.7447 8.5448 120.3099 57.4455 30.9943 178.1013 20 T 4.3622 8.2590 126.5638 63.8762 69.7278 173.2852 21 H 4.1513 8.8298 122.7609 56.6433 26.6743 175.0904 22 V 4.2542 7.1990 120.9043 61.3388 32.5625 173.6974 23 L 5.1149 8.3248 127.1912 53.1821 43.4377 175.9013 24 E 4.6051 9.0766 122.7247 54.7827 32.8318 174.9087 25 T 4.5883 8.3088 120.8128 62.4561 70.0711 173.8335 26 H 4.8704 8.5994 123.4856 53.8683 32.6444 172.9345 27 R 5.0522 8.2273 114.7850 55.1104 32.2756 173.7314 28 F 5.3170 8.5707 118.2690 56.0870 40.4106 176.8173 29 D 4.6541 9.2960 124.4646 55.9758 41.6947 176.6425 30 V 4.4498 7.6619 117.1240 60.9975 33.9700 174.4192 31 L 5.4134 8.6171 126.8787 53.2171 45.7165 175.4744 32 S 4.5878 8.8032 114.7501 56.5604 67.3798 173.0202 33 G 4.1240 8.1042 106.2359 47.0909 0.0000 170.7703 34 G 4.6731 7.5700 105.6676 46.0950 0.0000 172.5137 35 I 5.1578 8.5865 120.8170 59.1060 40.2833 176.4187 36 S 4.7676 9.0805 122.6143 57.9765 63.9842 175.6350 37 T 3.8513 8.0331 110.4240 64.2335 68.4932 175.0914 38 A 4.2314 7.9823 122.9882 52.1725 19.2079 177.4169 39 G 3.7973 8.2482 104.1964 46.8849 0.0000 173.0028 40 E 4.7390 8.3741 120.3623 54.7707 30.4867 175.4404 41 A 4.8104 8.7317 127.7194 51.1155 20.8353 175.7530 42 Q 4.9326 9.1136 121.5000 54.3617 33.4088 173.3385 43 L 5.1165 8.9866 127.0694 53.2126 45.5949 174.9331 44 V 4.6166 9.0779 126.3970 61.2046 34.0212 174.0165 45 I 4.3712 8.7163 129.6299 59.5459 39.1831 174.6070 46 D 4.6692 8.5289 128.2976 53.3463 40.5962 176.9703 47 L 3.8944 8.6344 127.8683 57.2639 41.8417 179.3420 48 N 4.5697 8.1537 114.9823 55.0816 38.6526 175.6451 49 S 4.7177 8.2328 113.3261 57.5795 63.4568 174.2478 50 V 3.8138 7.4832 120.6963 62.5049 31.5318 175.3379 51 N 4.7606 9.2484 122.1044 52.3986 40.1845 173.9837 52 T 4.3514 9.3458 115.3735 61.0143 69.2730 175.3727 53 G 3.9867 8.5590 111.9330 45.6119 0.0000 174.3090 54 I 4.3822 7.1453 120.1076 58.9354 39.4232 175.3677 55 D 4.3320 8.7436 124.7706 57.6977 41.1322 178.4958 56 V 3.6278 7.7615 117.9398 65.9779 31.3217 177.7967 57 R 3.9377 7.8860 117.2639 59.1977 30.0955 177.4900 58 N 4.5887 8.4469 116.1879 56.5197 38.8523 177.1523 59 G 3.8406 8.2008 106.7156 47.7307 0.0000 176.8123 60 R 4.2535 7.8164 118.3553 56.3956 29.9667 178.9929 *62 R 4.4644 7.9613 119.5367 56.5240 32.0904 177.7452 63 D 4.2122 8.2642 116.3406 56.3128 41.3214 177.0320 64 Y 4.6848 8.1775 115.8773 58.3177 39.0006 176.4219 65 L 4.2498 7.2565 120.5071 56.7048 42.9785 177.2776 66 F 4.5066 7.6519 119.4422 58.3433 40.2540 175.5010 67 E 4.0494 8.4111 119.4961 57.7147 26.2424 175.7613 68 T 4.6985 8.5991 107.4332 63.7315 69.6334 176.3627 69 A 4.0793 8.0970 124.5043 54.8313 18.6485 178.1291 70 T 4.0767 7.7693 110.7547 64.7035 69.8074 174.4623 71 Y 4.7426 7.7595 120.6425 55.8854 38.3383 175.8256 72 S 4.3555 8.3040 119.6572 60.2952 64.7348 174.6675 73 V 4.9597 7.7387 110.8559 59.2179 35.6030 174.8301 74 A 4.8607 8.4937 124.1325 50.4755 22.0451 175.6497 75 T 4.8213 8.5382 117.2664 61.6984 72.3596 173.0471 76 V 4.9180 9.0095 127.0071 61.2921 33.8728 174.4632 77 T 5.1141 8.6308 117.4021 60.0145 72.1722 173.1184 78 V 4.7215 8.6166 124.0864 60.7759 35.2607 172.0079 79 P 4.8856 0.0000 0.0000 62.8209 31.9076 175.7430 80 V 4.3755 8.9028 121.6540 60.5250 35.7381 174.4323 81 D 4.5516 8.6308 125.8529 53.5016 41.0092 176.8465 82 L 4.0458 8.3457 128.0574 57.3401 41.7178 179.0076 83 A 3.9617 8.1233 120.2323 55.1567 18.1649 179.2501 84 A 3.9279 7.7907 117.5895 55.3168 18.7894 179.7761 85 V 3.6345 7.7892 116.2880 66.1428 31.4309 178.0694 86 A 4.2084 8.5765 119.7662 55.1229 18.3013 179.3039 87 G 3.8248 8.2977 102.4535 45.1732 0.0000 173.9936 88 L 4.1946 7.2281 121.9114 54.3697 42.1683 177.0944 89 A 4.1824 9.0865 127.4595 51.3774 19.0520 176.7995 90 V 3.8477 8.1838 120.4072 64.6248 31.8293 176.2794 91 G 4.0403 9.2959 116.5615 45.1572 0.0000 173.0813 92 E 4.4184 8.1647 121.0827 55.0148 30.8709 175.0580 93 D 5.8500 8.0289 124.2420 50.8171 42.0616 174.5744 *95 L 4.2938 8.1935 117.2837 55.1894 43.1487 176.6247 96 V 4.3536 8.8768 123.0210 61.1066 34.2736 173.9498 97 D 5.1054 8.7823 128.2473 53.9414 41.7140 176.2653 98 V 4.5194 9.0997 116.7093 59.4439 35.9640 174.8936 99 S 4.7262 8.7302 117.3123 56.8266 64.0082 172.7057 100 A 5.0237 8.9116 130.0627 50.4072 21.7507 175.2100 101 T 4.8177 8.6754 111.8760 60.3004 71.2527 173.3597 102 L 4.8236 8.9758 128.4748 53.4160 44.4499 174.6757 103 D 5.2279 9.1508 128.4391 52.9072 42.1378 174.5810 104 L 4.7395 8.3653 128.1017 53.7475 45.5498 175.7951 105 H 2.8393 9.6994 125.8773 57.0399 28.2334 174.8395 106 G 3.8260 7.9822 101.8031 45.4784 0.0000 173.8432 107 V 4.3152 7.5399 119.6123 59.7407 33.7110 172.6814 108 P 4.9485 0.0000 0.0000 62.6624 31.9707 175.8433 109 G 4.5334 9.6713 111.4485 43.4782 0.0000 171.6505 110 V 4.9077 8.2822 119.9504 60.9193 33.8564 174.9452 111 I 4.4264 9.1053 128.5374 59.7958 39.7726 174.6941 112 D 5.1154 8.7377 128.5048 53.5951 41.3843 175.6192 113 T 4.6723 8.6267 118.0480 60.9341 72.1360 171.4304 114 Q 5.1034 8.6274 123.0880 54.2059 31.6952 174.0687 115 L 5.1159 9.1562 125.9867 53.0059 45.3287 174.6549 116 N 5.0527 8.8734 121.1882 52.1771 41.0242 173.7254 117 V 4.7047 8.3065 125.2361 61.0674 34.3232 173.6471 118 Q 5.0016 8.5073 127.9954 54.2453 32.6495 173.8069 119 R 4.6535 8.7698 126.6550 55.6626 30.9674 176.7013 120 L 4.5287 8.9664 125.4318 55.9222 42.9605 176.0167 121 S 4.5518 7.5745 110.9389 56.9628 65.5479 174.5783 122 A 4.0494 8.7102 122.8363 54.7258 18.2088 178.2527 123 T 4.5976 8.0372 103.2166 61.1476 70.1420 173.2491 124 R 5.3256 8.0120 123.9875 54.8703 33.1049 173.5636 125 I 5.0356 8.6344 121.1505 58.8941 41.5110 173.9192 *127 V 4.4014 8.2945 119.7661 63.2457 32.8582 175.6199 128 Q 5.0554 9.0572 124.3969 53.5159 32.7105 173.5537 129 N 4.3861 7.4302 118.1045 52.8560 37.1803 174.9832 130 Q 4.2140 8.6995 126.1258 58.1900 29.7119 176.0457 131 S 4.7353 7.6636 110.8200 55.0030 66.3096 171.5780 132 P 4.1467 0.0000 0.0000 63.3881 31.6011 175.4388 133 L 4.8713 8.0665 121.7713 53.1629 44.9389 174.9144 134 L 5.2982 8.6379 124.7889 53.0326 45.0900 175.6071 135 I 4.6066 8.8174 123.8432 59.5604 40.1037 174.6598 136 K 4.8551 8.6770 125.8779 54.9187 33.2650 177.0114 137 A 4.0989 9.3632 128.4744 55.2142 18.9073 179.4683 138 A 4.3217 8.3224 117.8181 55.5306 18.5941 179.2543 139 D 4.2861 8.0357 114.6166 56.7190 41.0089 176.7204 140 Y 4.6059 7.5919 115.9777 57.1779 39.1262 175.5010 141 S 4.3919 7.6074 112.4482 58.9783 61.1199 173.5777 142 L 4.5361 7.9214 117.6439 54.5004 42.2322 177.6936 143 E 3.9660 8.0888 118.9191 59.4089 29.5797 178.8289 144 A 4.0885 8.0436 121.4221 54.7369 18.5960 179.5958 145 G 3.6035 8.0380 103.7851 48.8708 0.0000 175.7744 146 I 3.7002 7.6819 122.3249 64.0740 37.1183 178.1694 147 E 3.9073 8.3517 120.1671 59.4818 29.4441 178.9837 148 T 3.8099 8.0241 115.8585 66.5838 68.4865 176.6354 149 L 3.9902 7.8564 120.7417 57.5872 41.5505 179.2970 150 R 3.8734 8.1946 118.9634 59.8323 29.9181 178.3331 151 N 4.3849 8.2026 115.8592 55.9704 38.3416 177.5744 152 L 3.9954 7.8684 119.7291 57.1218 41.7881 178.3100 153 A 4.3360 8.0065 117.9096 51.0998 19.2292 176.9354 154 S 3.6483 7.5036 112.2389 59.3916 61.2005 172.6066 155 L 4.5761 7.9036 118.5639 53.4953 43.2425 177.3712 156 N 4.5557 8.6837 118.2200 55.5092 38.1421 175.3684 157 V 4.5691 7.3001 116.9935 59.8975 34.8714 173.0255 158 I 5.0896 8.1223 122.7888 59.3769 40.1296 175.3484 159 S 4.4135 9.1487 122.4154 58.7081 63.0382 173.8612 160 T 4.5125 8.6576 114.4537 61.9483 70.1793 173.3860 161 T 5.0015 7.6823 119.7051 62.1455 70.4172 174.2234 162 V 4.5528 9.0286 126.4048 60.2607 34.4042 172.9323 163 P 4.8957 0.0000 0.0000 62.9508 32.7117 175.6200 164 V 5.1704 9.0664 123.9151 61.3318 34.6904 173.9886 165 D 5.3241 9.2182 126.4860 52.6762 44.9935 174.5307 166 F 5.2237 8.5832 115.0665 55.4307 42.1603 173.5033 167 V 4.3581 7.3358 119.9060 61.1762 33.8809 173.9930 168 L 4.8258 8.7037 128.4870 52.7835 44.1479 176.0876 169 F 4.9662 8.7122 121.6032 55.9169 41.7182 173.9044 170 Y 5.1749 9.0851 121.5652 56.1939 40.8826 174.5767 171 E 5.4592 9.5543 122.9036 54.6171 32.8472 175.9114 172 A 4.6674 8.8960 126.0585 49.3772 20.1936 175.9002 173 P 4.3195 0.0000 0.0000 63.1024 31.3863 176.8885 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 0 K 8.17 4.23 0.00 1.80 1.73 0.00 1.64 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.46 7.81 1 L 8.20 4.81 0.00 1.65 1.83 0.96 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 2 A 9.75 4.09 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 3 Y 7.94 5.18 0.00 2.85 2.99 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 4 S 9.27 5.28 0.00 3.78 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 5 L 8.67 3.83 0.00 1.31 1.50 -0.02 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 6 D 9.44 4.52 0.00 2.71 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 7 A 8.42 3.99 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 8 T 7.85 4.02 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 1.22 0.00 0.00 9 A 7.78 4.29 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 10 S 7.63 5.17 0.00 3.84 3.72 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 11 F 8.52 5.23 0.00 3.18 3.17 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 12 L 8.77 5.44 0.00 1.80 1.76 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 13 N 10.06 5.56 0.00 2.77 2.70 0.00 0.00 6.09 8.29 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 14 F 8.70 5.60 0.00 3.29 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 15 V 8.75 4.88 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 0.82 0.00 0.00 0.92 0.00 0.00 16 S 8.90 4.99 0.00 4.00 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 17 S 8.64 5.57 0.00 3.88 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 18 K 8.66 5.02 0.00 1.76 1.75 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.30 1.43 7.81 19 K 8.54 3.74 0.00 1.94 1.33 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.35 7.81 20 T 8.26 4.36 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 1.18 0.00 0.00 21 H 8.83 4.15 0.00 3.28 3.34 0.00 5.67 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.20 4.25 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 0.97 0.00 0.00 1.01 0.00 0.00 23 L 8.32 5.11 0.00 1.53 1.55 0.94 0.92 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 24 E 9.08 4.61 0.00 1.77 1.58 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 2.15 2.21 0.00 25 T 8.31 4.59 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 26 H 8.60 4.87 0.00 1.41 2.80 0.00 5.58 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.23 5.05 0.00 1.91 2.06 0.00 2.74 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 28 F 8.57 5.32 0.00 3.05 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 29 D 9.30 4.65 0.00 2.63 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 30 V 7.66 4.45 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 0.99 0.00 0.00 0.97 0.00 0.00 31 L 8.62 5.41 0.00 1.49 1.44 0.95 0.84 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 32 S 8.80 4.59 0.00 3.83 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 33 G 8.10 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 34 G 7.57 4.67 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 0.00 0.00 0.00 35 I 8.59 5.16 1.98 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.57 0.87 0.00 0.00 36 S 9.08 4.77 0.00 3.88 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 37 T 8.03 3.85 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 1.26 0.00 0.00 38 A 7.98 4.23 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 39 G 8.25 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.37 4.74 0.00 1.88 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 2.26 2.39 0.00 41 A 8.73 4.81 1.05 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 0.00 0.00 42 Q 9.11 4.93 0.00 2.06 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.71 0.00 0.00 0.00 0.00 0.00 2.22 2.43 0.00 43 L 8.99 5.12 0.00 1.67 1.30 0.82 0.70 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 44 V 9.08 4.62 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 0.85 0.00 0.00 0.89 0.00 0.00 45 I 8.72 4.37 1.35 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.27 -0.27 0.00 0.00 46 D 8.53 4.67 0.00 2.78 2.73 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 0.00 0.00 0.00 47 L 8.63 3.89 0.00 1.75 1.37 0.69 -0.73 0.00 0.00 0.00 0.00 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1.36 1.12 0.72 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 66 F 7.65 4.51 0.00 3.18 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 67 E 8.41 4.05 0.00 2.54 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 0.00 2.59 2.65 0.00 68 T 8.60 4.70 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 1.40 0.00 0.00 69 A 8.10 4.08 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 70 T 7.77 4.08 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 71 Y 7.76 4.74 0.00 3.20 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 72 S 8.30 4.36 0.00 3.89 4.11 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 73 V 7.74 4.96 1.98 0.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.98 0.00 0.00 91 G 9.30 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 92 E 8.16 4.42 0.00 2.04 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 2.27 2.24 0.00 93 D 8.03 5.85 0.00 2.89 2.66 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 0.00 0.00 0.00 *95 L 8.19 4.29 0.00 1.57 1.68 0.97 0.74 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 96 V 8.88 4.35 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 0.77 0.00 0.00 0.90 0.00 0.00 97 D 8.78 5.11 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 98 V 9.10 4.52 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 0.80 0.00 0.00 0.99 0.00 0.00 99 S 8.73 4.73 0.00 3.84 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 3.22 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 125 I 8.63 5.04 1.80 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.17 0.88 0.00 0.00 *127 V 8.29 4.40 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 0.95 0.00 0.00 0.90 0.00 0.00 128 Q 9.06 5.06 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.14 2.02 0.00 129 N 7.43 4.39 0.00 2.62 2.14 0.00 0.00 6.01 7.39 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 0.00 130 Q 8.70 4.21 0.00 2.05 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.74 0.00 0.00 0.00 0.00 0.00 2.54 2.33 0.00 131 S 7.66 4.74 0.00 3.94 3.74 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 0.00 132 P 0.00 4.15 0.00 2.06 2.07 0.00 3.60 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 133 L 8.07 4.87 0.00 1.79 1.70 0.98 0.61 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 0.00 134 L 8.64 5.30 0.00 1.57 1.57 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 135 I 8.82 4.61 2.04 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.92 0.99 0.00 0.00 136 K 8.68 4.86 0.00 1.93 1.77 0.00 1.71 0.00 0.00 1.84 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.48 7.81 137 A 9.36 4.10 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 0.00 138 A 8.32 4.32 1.35 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 0.00 0.00 0.00 139 D 8.04 4.29 0.00 2.65 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 Y 7.59 4.61 0.00 2.99 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 0.00 141 S 7.61 4.39 0.00 4.05 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 0.00 142 L 7.92 4.54 0.00 1.85 1.60 0.96 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 143 E 8.09 3.97 0.00 2.16 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 0.00 2.37 2.33 0.00 144 A 8.04 4.09 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 G 8.04 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 I 7.68 3.70 1.99 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 1.38 0.70 0.91 0.00 0.00 147 E 8.35 3.91 0.00 2.08 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 0.00 2.29 2.38 0.00 148 T 8.02 3.81 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 0.92 0.00 0.00 149 L 7.86 3.99 0.00 1.87 1.71 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 150 R 8.19 3.87 0.00 1.85 2.09 0.00 3.16 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 151 N 8.20 4.38 0.00 2.74 2.80 0.00 0.00 7.10 6.51 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 0.00 152 L 7.87 4.00 0.00 1.59 1.70 0.66 0.42 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 0.00 153 A 8.01 4.34 1.28 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 0.00 154 S 7.50 3.65 0.00 3.96 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 0.00 155 L 7.90 4.58 0.00 1.60 1.58 0.92 0.95 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 0.00 156 N 8.68 4.56 0.00 2.86 3.06 0.00 0.00 5.47 7.68 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 0.00 157 V 7.30 4.57 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 0.71 0.00 0.00 0.93 0.00 0.00 158 I 8.12 5.09 1.88 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 1.24 0.68 0.97 0.00 0.00 159 S 9.15 4.41 0.00 3.87 3.79 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 0.00 160 T 8.66 4.51 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 1.22 0.00 0.00 161 T 7.68 5.00 4.28 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 1.25 0.00 0.00 162 V 9.03 4.55 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 1.04 0.00 0.00 163 P 0.00 4.90 0.00 2.17 2.01 0.00 3.88 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 164 V 9.07 5.17 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 1.27 0.00 0.00 1.09 0.00 0.00 165 D 9.22 5.32 0.00 2.71 2.51 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 0.00 166 F 8.58 5.22 0.00 2.99 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 0.00 167 V 7.34 4.36 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 0.51 0.00 0.00 0.80 0.00 0.00 168 L 8.70 4.83 0.00 1.51 1.23 0.73 0.63 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 0.00 169 F 8.71 4.97 0.00 2.91 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 Y 9.09 5.17 0.00 2.73 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 0.00 171 E 9.55 5.46 0.00 1.92 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 2.32 2.43 0.00 172 A 8.90 4.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 P 0.00 4.32 0.00 2.00 1.95 0.00 3.54 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 1.94 2.01 0.00 * Residues marked with a * may have inaccurate shift predictions.