NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3751 8.1733 120.0790 56.1534 35.4861 174.9681 3 T 4.7617 8.0205 117.0273 61.4056 72.5680 171.4577 4 I 4.7115 9.1409 127.9497 59.4539 41.2223 173.8680 5 C 5.3218 8.3086 126.9274 57.5037 32.6084 172.5858 6 V 4.9421 8.5668 125.8512 60.5842 34.0981 174.7486 7 F 5.0062 7.6018 118.3020 56.2295 40.4374 173.1503 8 A 4.8098 8.5136 126.2567 50.3744 22.1145 175.2200 9 G 3.8662 7.8946 104.1391 45.4383 0.0000 175.1453 10 S 4.3569 8.4399 115.0658 59.6340 63.4297 174.4872 11 N 4.9778 7.6606 117.0280 50.6728 40.2527 173.3493 12 P 4.2316 0.0000 0.0000 64.0588 31.8869 176.8125 13 G 3.8752 8.2464 105.3020 44.8998 0.0000 172.6670 14 G 3.9889 8.5346 105.1412 45.2068 0.0000 173.1290 15 N 4.9646 7.8457 118.6965 51.1459 41.6177 174.8269 16 E 4.0715 8.5434 122.0400 58.6289 29.7248 179.0517 17 A 3.8707 9.1225 123.8544 55.3714 18.2582 178.8507 18 Y 4.4499 6.8861 114.3619 61.3538 37.7863 178.7518 19 K 3.8688 8.1377 119.0974 59.6606 32.5171 178.4622 20 R 4.0222 8.0714 118.9164 59.4255 30.2334 178.6994 21 K 4.1472 9.0498 118.9042 58.9517 31.9039 179.2689 22 A 4.0884 8.4581 121.8018 55.0230 18.2798 179.4933 23 A 4.0646 8.1166 119.4138 54.9796 18.4050 179.5411 24 E 3.9028 8.0519 117.6469 59.4387 29.6657 178.6755 25 L 4.1159 7.8279 119.0473 57.4395 42.0471 178.9398 26 G 3.6545 7.3136 103.9829 47.5534 0.0000 175.7173 27 V 3.7956 7.8461 121.1512 65.7212 31.5391 177.6239 28 Y 4.0522 7.8092 116.2802 58.8952 38.3768 177.4187 *30 A 4.2203 7.9183 122.7552 51.9112 20.4883 179.6700 31 E 3.9914 8.2695 114.4804 59.0657 29.6108 177.8696 32 Q 4.0538 8.0417 115.9729 55.2992 28.8341 175.8814 33 G 3.7835 7.4751 105.0603 46.5268 0.0000 173.4615 34 I 4.3787 7.7111 119.9786 59.5494 38.5918 175.8721 35 G 4.0003 8.9537 114.6915 45.2608 0.0000 172.2222 36 L 5.1777 8.6598 124.8192 53.2345 44.9210 175.3945 37 V 5.1106 8.4401 124.5115 61.6917 34.8891 173.9517 38 Y 5.1820 8.7103 124.6564 56.5089 41.0271 175.3119 39 G 3.4300 8.9554 107.6092 47.1778 0.0000 174.7804 40 G 3.1734 6.3247 107.0747 44.9513 0.0000 174.1964 41 S 4.5845 7.2182 115.0412 59.0618 63.6040 174.9553 42 R 4.7539 8.2726 119.3533 56.5632 31.1154 175.2974 43 V 4.4045 7.8878 110.1240 60.3944 34.9752 178.1018 44 G 4.4218 8.3147 109.2142 45.4226 0.0000 174.6761 45 L 4.2145 8.1152 115.6448 54.5326 40.8179 178.8233 *47 G 3.9216 8.0093 109.1884 46.0788 0.0000 175.3089 48 T 3.7827 7.5814 115.3773 66.6645 68.4797 176.6882 49 I 3.7646 7.9085 120.0928 64.0498 37.6627 177.2574 50 A 3.8137 7.6811 121.0220 54.8397 18.3612 178.3912 51 D 4.4629 8.6061 117.0999 57.3751 41.1614 178.9346 52 A 4.2127 7.7063 119.9644 55.3527 18.6703 180.5588 53 I 3.7433 7.4148 114.1522 62.2200 36.6478 176.9225 *55 E 4.1675 7.9853 117.6093 55.8584 30.6623 176.5831 56 N 4.7288 8.2733 114.1468 52.2228 39.6609 175.5996 57 G 3.8420 8.5514 104.2040 46.0893 0.0000 174.5507 58 G 3.9915 7.7283 107.0406 45.8702 0.0000 173.4524 59 T 4.9463 8.2924 114.9020 61.5650 72.5906 173.4656 60 A 5.0839 8.8746 126.3355 50.6531 23.0619 174.8460 61 I 4.6626 9.1901 124.3407 59.6984 39.7419 175.0758 62 G 4.0361 9.0285 114.2662 44.4517 0.0000 172.2227 63 V 4.9563 8.6580 126.7607 60.0684 33.5156 173.1804 *65 P 4.4129 0.0000 0.0000 62.5607 32.5275 175.9043 66 S 4.3495 8.3491 116.1523 58.3882 64.2135 174.6223 67 G 3.8285 8.8467 107.7400 45.0540 0.0000 173.9066 68 L 4.2632 7.2431 119.0084 54.3143 42.5741 176.6377 69 F 4.5876 10.0099 122.1743 56.6681 40.1218 176.9704 70 S 4.1943 9.2341 119.6507 62.1304 62.2048 177.3217 71 G 3.6741 8.1908 107.1585 46.8810 0.0000 174.3119 72 E 4.3906 8.7501 119.2687 56.9130 30.0388 176.9567 73 V 4.2214 7.3351 117.7363 63.9972 34.0233 177.1532 74 V 3.7151 8.1312 118.8909 66.4078 31.4692 176.7906 75 H 4.4405 8.3701 115.2237 58.5472 29.1814 176.2289 76 Q 3.8380 7.9828 116.2217 59.1202 28.5609 177.9814 77 N 3.9621 7.6721 110.0604 55.0725 37.7387 173.2865 78 L 4.8126 7.9165 127.7097 55.3007 42.1181 177.8616 79 T 4.5682 8.3545 120.8733 65.3376 71.6361 172.9343 80 E 4.6564 8.0064 121.0015 54.5200 33.3536 173.4889 81 L 5.1223 8.5993 128.4492 53.3265 44.3132 175.1870 82 I 4.5574 8.6801 126.7220 59.5756 40.2519 174.3677 83 E 4.5452 8.8026 126.5303 55.5390 31.1063 175.7449 84 V 4.5126 8.0904 114.9059 60.0995 37.1860 174.0461 85 N 4.7219 9.2253 118.7815 54.8640 40.4043 174.7127 86 G 3.8993 8.0498 113.1829 44.6752 0.0000 173.5100 *88 H 4.6460 8.9115 120.9632 56.0412 31.4265 175.0032 89 E 3.9250 8.0284 118.2322 59.1072 28.9421 179.2231 90 R 3.7951 7.6169 117.7809 59.5126 30.3187 178.4299 91 K 4.0342 7.9462 116.0639 59.3526 32.3148 178.7635 92 A 3.9699 8.2071 121.4788 54.7224 18.4460 182.0644 93 K 4.2327 8.5602 119.3817 56.1087 32.1620 179.2348 *95 S 4.5209 8.0679 114.9122 58.3426 64.8620 175.9821 96 E 3.9295 8.1165 119.5065 58.9598 29.3574 177.7974 97 L 4.1857 7.3458 116.6756 56.0515 42.2765 177.0647 98 A 4.3493 7.4796 120.8421 51.7941 19.1591 176.6756 99 D 4.7567 8.3466 119.5009 54.3181 42.6105 176.0925 100 G 4.0269 6.8732 104.3937 45.6667 0.0000 172.1842 101 F 5.6113 9.6805 118.8879 54.5311 43.0184 174.3428 102 I 4.8447 8.3157 124.2291 59.6021 39.7139 174.9495 103 S 4.3004 8.4768 121.0927 55.6047 65.9846 170.5788 *105 P 3.3130 0.0000 0.0000 61.7820 32.5031 176.5593 106 G 4.4017 6.5714 109.9643 44.3103 0.0000 173.8133 107 G 3.8346 7.5437 106.4198 44.0684 0.0000 173.2487 108 F 4.7921 8.3708 118.0907 61.2439 39.0037 177.3721 109 G 4.0403 8.4576 104.2492 48.5416 0.0000 175.2077 110 T 4.0227 8.0225 117.6141 66.5982 68.5599 175.9061 111 Y 4.4818 7.7946 117.9867 61.3821 37.9175 178.0013 112 E 3.9663 8.7785 120.3707 59.9615 29.6262 178.7607 113 E 3.7614 8.2199 118.0127 59.4603 29.3442 178.9375 114 L 4.1123 8.1117 120.2088 58.4081 42.2324 178.9706 115 F 3.8639 9.4354 118.0297 60.3576 38.8849 177.4901 116 E 3.9748 8.5898 119.5263 59.3945 29.3161 178.8329 117 V 3.4030 8.0487 117.2864 65.8718 31.7579 177.5836 118 L 4.0622 8.0425 118.6978 58.1195 41.2957 178.9865 119 C 3.8609 7.7278 114.9843 62.8467 28.2699 175.8315 120 W 4.3843 7.8436 115.6128 56.9139 28.8118 178.0322 121 A 4.1816 8.2535 122.5936 54.9565 18.7241 179.1331 122 Q 4.6253 7.8755 116.2097 55.4810 28.9552 175.8298 123 I 4.5901 7.1551 117.0590 60.4921 41.7466 177.6769 124 G 3.8747 8.8428 112.1827 46.1436 0.0000 173.7196 125 I 4.3845 7.9606 120.9109 61.0981 38.0937 176.1051 126 H 3.8554 7.4946 117.1731 55.2826 29.0256 174.2260 127 Q 3.2388 7.9625 126.2004 56.7075 26.0468 172.4688 128 K 4.7060 8.1825 120.2738 53.5529 34.6571 174.7943 129 P 4.3669 0.0000 0.0000 63.1473 32.5646 175.5949 130 I 5.0288 8.6081 124.9863 59.2945 37.6871 174.3864 131 G 3.8964 9.0357 113.1990 45.9024 0.0000 170.1180 132 L 4.7768 8.3983 123.4921 52.6981 43.3091 175.3517 133 Y 4.6030 8.6167 127.5626 57.0120 36.1311 176.4005 134 N 4.8205 9.1516 129.1725 51.9637 38.9246 175.3084 135 V 3.6630 7.5716 116.6337 63.5135 31.8625 174.8555 136 N 4.1747 9.2060 125.5263 54.9511 37.2490 173.3634 137 G 4.2897 8.3152 101.3396 45.8401 0.0000 176.2912 138 Y 3.9691 7.8426 120.8891 60.5447 38.8199 177.1181 139 F 4.7177 7.9571 114.1316 58.4458 39.3307 176.2038 140 E 4.1531 7.9243 121.4916 59.2083 29.3741 176.7491 141 P 4.3799 0.0000 0.0000 62.8077 28.9193 176.2460 *144 K 3.6659 7.8091 123.9460 55.8211 33.3795 176.8547 *146 V 4.2004 7.7485 118.4944 62.3144 33.1216 177.0548 147 K 4.1142 7.8649 119.9280 59.4797 31.8496 178.2949 148 Y 4.4147 7.9825 115.9951 60.9942 38.2541 177.7561 149 S 4.4973 8.2343 115.9122 61.5460 62.8069 176.5004 150 I 4.4167 7.8005 122.9528 63.0200 36.8051 177.0845 151 Q 4.6299 7.4792 116.6689 56.1751 29.6313 175.8815 152 E 4.4134 7.5846 116.5754 55.8028 31.6447 175.5725 153 G 3.6162 8.1639 105.8763 46.9390 0.0000 174.1661 154 F 5.2719 7.9746 113.8348 56.6677 41.8882 175.5541 155 S 4.7085 7.7337 116.0874 57.4583 66.7325 173.3257 156 N 4.9391 8.6792 121.8037 52.5929 39.6870 175.9185 157 E 4.2609 8.6037 119.5972 57.7238 29.1913 179.3839 158 S 4.0792 7.8713 116.4378 62.0803 62.7666 176.0639 159 H 4.3561 7.5333 117.0225 58.2679 28.7095 177.2273 160 L 4.2079 7.8421 122.8145 57.1858 41.6056 177.8890 161 K 4.2201 7.4338 115.1948 57.2049 32.4589 177.2134 162 L 4.7603 7.9094 118.8832 54.9047 44.2384 176.0610 163 I 4.7390 7.5682 118.9034 59.6093 39.1305 175.4991 164 H 4.9413 8.3463 123.8628 53.4906 28.5635 172.6148 165 S 4.4280 8.2932 115.6979 58.8219 63.7512 173.6314 166 S 4.6149 8.1540 113.3951 60.0184 67.7800 177.5452 167 S 4.3285 7.7820 111.2875 57.9739 65.4977 174.4546 168 R 4.8361 8.0142 119.5610 53.8608 32.8679 173.0887 169 P 4.1483 0.0000 0.0000 65.8492 31.5160 177.6164 170 D 4.4944 7.2481 118.1967 55.9636 38.9176 178.6458 171 E 3.8976 7.9330 119.8468 58.6012 29.4517 178.4243 172 L 3.9282 7.8219 118.9978 58.8397 42.1529 178.8425 173 I 3.8641 7.7337 118.2678 64.4145 37.1574 177.7992 174 E 4.2952 7.8771 118.8640 59.0096 30.0005 179.1730 175 Q 4.2685 8.4026 119.3420 55.1854 29.3480 177.1280 *177 Q 4.1733 7.7489 115.5322 56.2765 29.7662 175.4361 178 N 4.9455 8.0272 111.0260 53.0753 39.6609 175.4528 179 Y 4.1892 7.7839 121.9982 58.2572 38.9911 175.1473 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 2 K 8.17 4.38 0.00 1.71 1.90 0.00 1.56 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.47 7.81 3 T 8.02 4.76 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 1.17 0.00 0.00 4 I 9.14 4.71 1.78 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 1.02 0.65 0.80 0.00 0.00 5 C 8.31 5.32 0.00 2.94 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 6 V 8.57 4.94 1.94 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 0.99 0.00 0.00 0.79 0.00 0.00 7 F 7.60 5.01 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 8 A 8.51 4.81 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 7.89 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 10 S 8.44 4.36 0.00 3.88 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 11 N 7.66 4.98 0.00 2.64 2.69 0.00 0.00 6.96 8.02 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 12 P 0.00 4.23 0.00 2.19 2.18 0.00 3.75 0.00 0.00 3.66 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 13 G 8.25 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 14 G 8.53 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 0.00 0.00 0.00 15 N 7.85 4.96 0.00 2.50 1.97 0.00 0.00 6.96 7.65 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 16 E 8.54 4.07 0.00 2.17 2.14 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 2.31 2.27 0.00 17 A 9.12 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 6.89 4.45 0.00 3.10 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 19 K 8.14 3.87 0.00 1.78 1.87 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.53 7.81 20 R 8.07 4.02 0.00 2.00 2.10 0.00 3.13 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 21 K 9.05 4.15 0.00 1.90 1.98 0.00 1.62 0.00 0.00 1.46 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.56 7.81 22 A 8.46 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 23 A 8.12 4.06 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 24 E 8.05 3.90 0.00 2.09 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 2.41 2.39 0.00 25 L 7.83 4.12 0.00 1.24 1.55 0.69 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.31 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 0.00 0.00 0.00 0.00 27 V 7.85 3.80 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 1.15 0.00 0.00 1.02 0.00 0.00 28 Y 7.81 4.05 0.00 3.20 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 *30 A 7.92 4.22 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 31 E 8.27 3.99 0.00 1.93 1.94 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 2.31 2.48 0.00 32 Q 8.04 4.05 0.00 1.67 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.53 0.00 0.00 0.00 0.00 0.00 1.64 1.16 0.00 33 G 7.48 3.78 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 0.00 0.00 0.00 34 I 7.71 4.38 1.79 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 1.21 0.52 0.86 0.00 0.00 35 G 8.95 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 0.00 0.00 0.00 36 L 8.66 5.18 0.00 1.67 1.48 0.83 0.44 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 37 V 8.44 5.11 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 0.96 0.00 0.00 0.93 0.00 0.00 38 Y 8.71 5.18 0.00 3.14 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 39 G 8.96 3.43 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 0.00 40 G 6.32 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 0.00 0.00 0.00 41 S 7.22 4.58 0.00 3.98 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 42 R 8.27 4.75 0.00 1.79 1.91 0.00 3.22 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 43 V 7.89 4.40 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 0.74 0.00 0.00 0.97 0.00 0.00 44 G 8.31 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.12 4.21 0.00 1.69 1.67 0.85 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 *47 G 8.01 3.92 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 0.00 0.00 0.00 48 T 7.58 3.78 4.37 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 1.28 0.00 0.00 49 I 7.91 3.76 1.86 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.23 0.80 0.00 0.00 50 A 7.68 3.81 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 51 D 8.61 4.46 0.00 2.61 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 52 A 7.71 4.21 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 53 I 7.41 3.74 1.95 0.00 0.00 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0.00 0.00 0.00 72 E 8.75 4.39 0.00 2.12 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 2.38 2.43 0.00 73 V 7.34 4.22 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 1.01 0.00 0.00 0.94 0.00 0.00 74 V 8.13 3.72 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 0.79 0.00 0.00 1.03 0.00 0.00 75 H 8.37 4.44 0.00 3.15 3.37 0.00 5.98 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 7.98 3.84 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.06 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 77 N 7.67 3.96 0.00 2.76 2.96 0.00 0.00 6.77 7.78 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 78 L 7.92 4.81 0.00 1.65 0.85 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 79 T 8.35 4.57 4.37 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 1.21 0.00 0.00 80 E 8.01 4.66 0.00 1.99 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0.00 3.19 3.09 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 0.00 109 G 8.46 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 0.00 110 T 8.02 4.02 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 1.48 0.00 0.00 111 Y 7.79 4.48 0.00 3.43 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 0.00 112 E 8.78 3.97 0.00 2.06 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 2.34 2.55 0.00 113 E 8.22 3.76 0.00 1.47 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 114 L 8.11 4.11 0.00 2.19 2.14 0.95 0.71 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 0.00 115 F 9.44 3.86 0.00 3.14 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 0.00 116 E 8.59 3.97 0.00 2.14 2.10 0.00 0.00 0.00 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0.00 0.00 0.00 133 Y 8.62 4.60 0.00 2.91 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 0.00 134 N 9.15 4.82 0.00 3.04 2.95 0.00 0.00 6.80 8.53 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 0.00 135 V 7.57 3.66 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 1.27 0.00 0.00 0.18 0.00 0.00 136 N 9.21 4.17 0.00 2.71 2.90 0.00 0.00 7.31 7.98 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 0.00 137 G 8.32 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 0.00 0.00 0.00 0.00 138 Y 7.84 3.97 0.00 2.83 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 0.00 139 F 7.96 4.72 0.00 3.21 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 0.00 140 E 7.92 4.15 0.00 1.99 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 2.49 2.44 0.00 141 P 0.00 4.38 0.00 1.93 1.96 0.00 3.81 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.02 0.00 *144 K 7.81 3.67 0.00 1.58 1.82 0.00 1.80 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.81 0.94 7.81 *146 V 7.75 4.20 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 0.86 0.00 0.00 0.91 0.00 0.00 147 K 7.86 4.11 0.00 1.92 1.88 0.00 1.69 0.00 0.00 1.85 0.00 0.00 3.12 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.59 1.68 7.81 148 Y 7.98 4.41 0.00 2.92 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 0.00 149 S 8.23 4.50 0.00 4.14 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 0.00 150 I 7.80 4.42 2.09 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.92 0.97 0.00 0.00 151 Q 7.48 4.63 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 152 E 7.58 4.41 0.00 2.21 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 2.45 2.45 0.00 153 G 8.16 3.62 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 0.00 154 F 7.97 5.27 0.00 3.19 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 0.00 155 S 7.73 4.71 0.00 3.92 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 N 8.68 4.94 0.00 2.78 2.70 0.00 0.00 7.15 7.66 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 0.00 157 E 8.60 4.26 0.00 2.01 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 2.42 2.41 0.00 158 S 7.87 4.08 0.00 3.61 3.97 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 0.00 159 H 7.53 4.36 0.00 3.11 3.32 0.00 5.65 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 L 7.84 4.21 0.00 1.79 1.82 0.91 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 161 K 7.43 4.22 0.00 1.96 1.88 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.39 7.81 162 L 7.91 4.76 0.00 1.61 1.72 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 163 I 7.57 4.74 1.82 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 1.34 2.00 0.93 0.00 0.00 164 H 8.35 4.94 0.00 3.01 3.22 0.00 5.97 0.00 0.00 0.00 0.00 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 S 8.29 4.43 0.00 3.92 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 0.00 166 S 8.15 4.61 0.00 3.94 3.78 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 0.00 167 S 7.78 4.33 0.00 3.78 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 0.00 168 R 8.01 4.84 0.00 1.86 1.75 0.00 3.62 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 1.45 1.58 0.00 169 P 0.00 4.15 0.00 1.59 1.96 0.00 3.70 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 2.19 2.25 0.00 170 D 7.25 4.49 0.00 2.79 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 0.00 171 E 7.93 3.90 0.00 2.15 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 2.34 0.00 172 L 7.82 3.93 0.00 1.92 1.79 1.20 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 173 I 7.73 3.86 2.13 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.85 0.97 0.00 0.00 174 E 7.88 4.30 0.00 2.17 2.21 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 2.35 2.39 0.00 175 Q 8.40 4.27 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.69 0.00 *177 Q 7.75 4.17 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.23 0.00 0.00 0.00 0.00 0.00 2.28 2.63 0.00 178 N 8.03 4.95 0.00 2.88 2.93 0.00 0.00 7.00 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 0.00 179 Y 7.78 4.19 0.00 2.83 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 * Residues marked with a * may have inaccurate shift predictions.