NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7958 8.3549 109.7368 45.3579 0.0000 172.8265 *2 D 4.3978 8.3234 118.0892 53.7941 41.8997 175.1517 3 N 4.6744 8.2660 118.9579 51.8109 38.4831 174.1567 4 P 4.3194 0.0000 0.0000 65.5421 32.5841 176.2202 5 V 4.0093 7.0883 117.9231 61.8612 32.4313 174.8966 6 N 4.8498 9.0028 127.0205 51.6799 41.1436 173.3183 7 I 4.1886 8.2912 127.8407 61.0765 37.7452 175.7889 8 L 4.7143 8.6184 128.1925 53.7478 43.0780 176.7047 9 N 4.6805 9.3702 120.3326 51.6209 39.0395 175.8092 10 E 3.9436 8.9984 120.7539 60.3141 29.3701 179.3164 11 Q 3.9931 8.0737 119.8392 60.3402 28.2363 179.9938 12 E 4.0805 9.0588 121.0613 59.0190 29.4850 179.3622 13 A 3.8616 8.3325 121.1317 55.2411 18.4614 179.7357 14 L 3.9753 8.1531 117.7318 57.9492 41.4361 179.5906 15 E 3.9179 8.2648 118.1149 59.4142 29.5355 179.1231 16 R 3.5493 7.7333 118.7767 58.8521 29.5163 178.3389 17 L 4.2319 7.7995 120.3033 58.3994 41.9629 179.0382 18 Q 4.1907 8.1925 116.9377 58.5125 28.6674 178.4258 19 S 4.3644 7.6809 114.5740 59.3765 63.3012 174.1216 20 V 4.6560 7.1167 113.5173 59.5862 34.8522 175.1333 21 S 4.0599 8.4807 113.0343 57.6523 65.0031 172.8848 22 L 5.2903 8.2104 123.1828 53.7231 43.9238 175.3619 23 G 4.0908 9.4407 112.5149 45.1746 0.0000 170.8354 24 R 5.0049 8.3886 117.5806 54.1264 34.1259 175.1041 25 V 4.6023 7.9370 122.4927 60.9610 34.4425 174.2191 26 V 4.5306 8.6709 127.8278 61.2555 33.3776 174.8911 27 V 4.8125 8.4651 121.2330 59.8617 34.4652 175.1331 28 R 4.7798 8.1855 121.0039 55.3952 34.0094 174.5617 29 R 4.6880 9.0093 125.1486 56.2873 32.1596 176.5684 30 S 3.6962 8.1541 124.7968 59.4965 61.7409 173.7782 31 D 4.4243 9.0461 127.9571 58.0512 40.5742 176.2990 32 E 4.2136 7.7874 117.7852 55.3368 30.8857 174.6555 *34 D 4.6356 8.1095 118.3498 54.2280 42.1311 173.5224 35 I 4.9547 8.0966 122.5480 59.1174 41.2207 174.4404 36 F 5.1994 7.9523 122.7593 54.4533 41.3168 172.2176 37 P 4.8476 0.0000 0.0000 63.3210 32.1702 175.8477 38 V 4.4314 8.9234 113.7405 60.0398 36.4281 173.9277 39 N 5.4279 8.5359 120.9062 52.7826 39.8407 174.1692 40 F 5.2893 8.6097 116.3053 55.9548 41.7455 173.1499 41 I 4.5746 8.7641 118.1971 59.2943 41.5481 173.6624 42 V 4.8528 8.4850 128.1046 61.5219 33.3418 174.7735 43 D 4.5445 9.3915 127.4014 53.7955 43.8454 175.1814 44 K 3.8216 9.7846 127.8249 57.7316 29.6093 175.9754 45 G 3.8949 8.5205 101.8552 45.8439 0.0000 173.1786 46 A 4.7202 7.7858 120.7529 49.7685 22.3620 175.8753 47 I 4.6830 8.3313 122.5660 60.1793 39.2562 174.3987 48 Y 5.1893 9.1821 125.0626 56.2724 40.8624 174.9265 49 I 5.0069 8.8505 123.5828 59.5405 41.5817 174.1960 50 R 4.9241 8.7775 126.1959 55.1002 31.3073 174.9850 51 T 4.6530 8.9289 121.1731 60.5649 70.3081 174.7568 52 A 4.0835 8.5919 129.4723 55.3917 19.4183 179.6217 53 E 4.5568 8.0987 112.5494 56.9321 29.2910 178.8491 54 G 3.9359 7.8852 109.8735 48.2838 0.0000 175.7887 55 N 4.3890 8.0698 118.4928 56.2114 38.8749 176.8521 56 K 3.9505 7.8197 119.5406 59.6078 32.5543 178.2536 57 L 4.1327 8.2279 118.1342 57.9148 41.6363 179.1673 58 F 4.2295 8.2349 119.3262 60.2439 40.6436 176.5786 59 S 4.4851 7.5373 117.0016 56.9895 59.4799 173.9298 *61 N 4.4898 7.6559 114.0955 52.7990 40.4569 175.6353 62 L 4.2938 7.7466 117.0023 54.2384 42.5481 176.8610 63 N 4.4943 8.9653 121.3562 53.5714 39.6970 174.9323 *64 H 4.3235 8.7594 120.1025 58.7030 29.7722 175.0581 65 D 4.9650 8.5250 119.7845 54.2665 41.1012 176.5929 66 V 4.7006 9.2635 116.2798 59.5958 36.6473 174.3286 67 L 5.1503 8.4863 121.6312 53.1944 44.3581 175.5390 68 F 5.1356 9.1877 124.6902 56.3651 42.7163 173.3207 69 E 5.0306 8.2023 125.5253 54.4930 33.3437 173.8513 70 A 4.9895 8.6150 125.9264 50.9319 23.2154 174.5351 71 D 3.9967 8.1388 117.6535 52.7615 42.3982 173.9429 72 E 4.2850 7.2607 118.1407 55.1150 33.5262 174.1731 73 V 4.7976 8.1760 124.4215 60.7040 33.1606 173.3680 74 K 4.4225 8.5567 126.7448 55.3185 35.2203 175.6638 75 D 4.4818 9.7257 126.0081 55.7386 37.9854 174.1722 76 G 3.9430 7.9118 104.3455 45.6665 0.0000 171.2745 77 K 5.2256 7.8213 120.1085 54.4903 35.5516 174.6672 78 A 5.3498 9.3517 126.6251 50.1962 23.0205 175.0145 79 W 5.9103 8.7565 116.7022 55.1594 32.5608 174.0221 80 S 5.2503 9.6557 115.1045 56.8408 66.3324 172.8773 81 V 4.9225 9.3481 123.4206 61.3241 34.0771 174.0322 82 V 4.7187 8.8365 129.0354 61.1734 33.5976 174.4071 83 V 4.8523 9.1778 128.0298 61.2062 34.5887 174.1197 84 R 4.9406 8.9442 126.7488 54.8536 32.1154 175.3382 85 A 4.9831 8.9378 124.0641 51.2625 23.7516 174.5327 86 T 4.9377 8.6789 115.6081 61.9382 70.6837 174.1378 87 A 5.1694 9.0320 128.9422 50.9050 20.9630 176.3775 88 E 4.7690 8.6219 117.6587 55.0773 33.4165 174.4326 89 I 4.3472 8.5739 125.1412 60.9665 38.1451 175.9499 90 V 3.7767 8.8515 128.0394 63.3075 30.6794 175.4751 91 R 4.2748 8.5263 127.3740 57.8760 31.3751 178.6939 92 K 4.0736 7.8535 117.9681 56.2302 33.2327 177.7299 93 L 4.0501 8.7134 124.6480 57.9090 41.7355 179.3761 94 D 4.3747 8.0513 118.5403 56.7035 39.4254 178.4587 95 E 4.0857 8.1535 119.7868 58.7932 29.5117 179.1682 96 I 3.7617 8.0015 119.7039 64.5333 37.0563 178.0611 97 A 4.1909 7.8107 120.0470 55.6273 18.4985 178.8286 98 Y 4.1261 8.0165 117.1477 60.8218 38.8126 177.9398 99 A 3.2834 7.8444 121.4514 54.6704 17.9690 179.2740 100 D 4.6580 7.8682 118.4666 56.8873 40.9133 177.8483 101 T 4.0040 7.2850 107.9991 63.0430 69.3597 174.9946 102 L 3.9703 7.0353 125.7052 54.8534 42.2735 178.7453 103 E 4.2033 8.3837 120.0521 54.9353 27.5339 171.8400 104 L 4.5212 7.9063 125.8443 53.5092 43.5804 176.8278 105 K 4.4394 8.2974 128.2238 51.9327 32.6128 170.5374 106 P 4.5679 0.0000 0.0000 60.9098 32.2243 177.1209 107 W 4.5252 8.6763 119.7517 59.7522 28.9739 177.4035 108 I 4.3395 7.6406 125.4181 58.6355 36.7248 173.2054 109 P 4.3453 0.0000 0.0000 62.4019 31.8363 176.6010 110 T 4.4982 8.2387 115.3469 60.1840 71.1362 175.5764 111 L 4.1500 8.4957 121.3808 57.0163 41.1000 176.3111 112 K 4.4088 7.8279 119.8710 55.1218 33.1650 174.9427 113 Y 5.1114 7.4290 122.3462 56.0380 41.1855 173.5655 114 N 5.0139 9.0727 116.7892 51.7923 43.1471 173.3224 115 Y 5.1068 8.5986 119.8655 57.2800 40.3419 174.4066 116 V 4.6913 9.1674 123.4932 61.1604 34.7584 174.0010 117 R 4.4444 8.8775 128.7635 54.8564 31.7593 174.7715 118 I 4.4104 8.8061 128.8587 59.8842 39.1160 175.1608 119 V 4.2946 8.5811 129.4115 60.4083 32.5583 173.3987 120 P 4.7515 0.0000 0.0000 63.2618 31.3706 175.8876 121 N 4.7938 9.3738 121.2180 54.3292 40.4402 175.2101 122 E 4.7363 7.9737 118.2334 54.3317 33.4682 174.2035 123 I 4.9450 8.4552 126.1209 59.8737 40.5546 174.7285 124 T 4.5165 9.1553 124.4548 61.7697 71.1111 173.2992 125 G 4.4750 8.7014 113.9299 44.3737 0.0000 171.5331 126 R 5.1276 9.1443 122.9910 54.2111 34.6558 173.8854 127 E 5.3282 8.8631 123.2040 54.4285 33.0205 174.3286 128 F 5.2189 10.1651 125.9973 56.0513 42.3663 174.3396 129 T 4.7451 8.5985 121.1415 62.2838 68.8226 174.9512 130 L 4.3814 8.6958 127.3176 53.7976 43.0969 177.5991 131 G 3.8473 8.5140 112.2934 45.3207 0.0000 173.7240 132 E 4.0886 8.6748 117.5424 56.8373 30.1532 173.7241 133 E 4.3513 8.4537 117.5627 55.5629 30.9010 173.8121 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 G 8.35 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 *2 D 8.32 4.40 0.00 2.70 2.65 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 3 N 8.27 4.67 0.00 2.87 2.94 0.00 0.00 5.82 7.76 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 4 P 0.00 4.32 0.00 2.23 2.40 0.00 3.70 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 2.13 2.01 0.00 5 V 7.09 4.01 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 0.36 0.00 0.00 0.93 0.00 0.00 6 N 9.00 4.85 0.00 2.74 2.66 0.00 0.00 6.86 8.07 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 7 I 8.29 4.19 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.58 0.89 0.00 0.00 8 L 8.62 4.71 0.00 1.53 1.54 0.92 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 9 N 9.37 4.68 0.00 2.88 2.94 0.00 0.00 6.70 7.56 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 10 E 9.00 3.94 0.00 2.04 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 2.37 2.39 0.00 11 Q 8.07 3.99 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.68 0.00 0.00 0.00 0.00 0.00 2.36 2.02 0.00 12 E 9.06 4.08 0.00 2.14 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 0.00 2.28 2.44 0.00 13 A 8.33 3.86 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 14 L 8.15 3.98 0.00 1.83 1.73 0.92 1.22 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 15 E 8.26 3.92 0.00 1.98 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 2.41 0.00 16 R 7.73 3.55 0.00 1.64 1.06 0.00 2.54 0.00 0.00 2.63 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 17 L 7.80 4.23 0.00 2.09 1.94 1.23 0.67 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 18 Q 8.19 4.19 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.77 0.00 0.00 0.00 0.00 0.00 2.44 2.56 0.00 19 S 7.68 4.36 0.00 4.06 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 20 V 7.12 4.66 2.28 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 1.11 0.00 0.00 1.49 0.00 0.00 21 S 8.48 4.06 0.00 3.70 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.21 5.29 0.00 1.80 1.73 1.06 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 23 G 9.44 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 0.00 0.00 0.00 24 R 8.39 5.00 0.00 1.44 1.56 0.00 3.13 0.00 0.00 3.04 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.48 0.00 25 V 7.94 4.60 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 0.81 0.00 0.00 1.07 0.00 0.00 26 V 8.67 4.53 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.79 0.00 0.00 27 V 8.47 4.81 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 0.80 0.00 0.00 1.15 0.00 0.00 28 R 8.19 4.78 0.00 1.82 1.68 0.00 3.18 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 29 R 9.01 4.69 0.00 1.75 1.78 0.00 3.44 0.00 0.00 3.21 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.74 0.00 30 S 8.15 3.70 0.00 4.06 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 31 D 9.05 4.42 0.00 2.66 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 32 E 7.79 4.21 0.00 2.03 1.88 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 2.38 2.29 0.00 *34 D 8.11 4.64 0.00 2.85 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.10 4.95 1.79 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.02 0.91 0.00 0.00 36 F 7.95 5.20 0.00 3.18 3.11 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 37 P 0.00 4.85 0.00 1.89 2.19 0.00 3.92 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.32 0.00 38 V 8.92 4.43 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 0.98 0.00 0.00 1.11 0.00 0.00 39 N 8.54 5.43 0.00 2.53 2.71 0.00 0.00 6.75 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.61 5.29 0.00 3.12 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 41 I 8.76 4.57 1.85 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.58 0.94 0.00 0.00 42 V 8.49 4.85 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.18 0.00 0.00 43 D 9.39 4.54 0.00 2.69 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 44 K 9.78 3.82 0.00 2.01 1.89 0.00 1.92 0.00 0.00 1.73 0.00 0.00 2.75 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.54 7.81 45 G 8.52 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 0.00 0.00 0.00 46 A 7.79 4.72 1.20 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 0.00 0.00 47 I 8.33 4.68 1.41 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.64 0.14 0.00 0.00 48 Y 9.18 5.19 0.00 2.93 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 49 I 8.85 5.01 2.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.84 1.04 0.00 0.00 50 R 8.78 4.92 0.00 1.85 1.80 0.00 2.61 0.00 0.00 2.89 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.26 0.00 51 T 8.93 4.65 4.27 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 1.34 0.00 0.00 52 A 8.59 4.08 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 53 E 8.10 4.56 0.00 1.90 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 2.35 2.25 0.00 54 G 7.89 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 0.00 0.00 0.00 55 N 8.07 4.39 0.00 2.77 2.83 0.00 0.00 6.86 6.13 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 56 K 7.82 3.95 0.00 1.84 1.99 0.00 1.82 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.47 7.81 57 L 8.23 4.13 0.00 1.65 1.78 0.84 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 58 F 8.23 4.23 0.00 3.13 3.06 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 0.00 59 S 7.54 4.49 0.00 3.97 3.86 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 *61 N 7.66 4.49 0.00 2.70 2.83 0.00 0.00 7.27 7.85 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 62 L 7.75 4.29 0.00 1.61 1.60 1.00 1.15 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 63 N 8.97 4.49 0.00 2.69 2.70 0.00 0.00 7.17 8.23 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 *64 H 8.76 4.32 0.00 3.13 3.31 0.00 7.07 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.53 4.97 0.00 2.64 2.65 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 66 V 9.26 4.70 2.16 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 0.80 0.00 0.00 1.01 0.00 0.00 67 L 8.49 5.15 0.00 1.53 1.50 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 68 F 9.19 5.14 0.00 2.94 2.79 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 69 E 8.20 5.03 0.00 1.72 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 2.10 2.28 0.00 70 A 8.62 4.99 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 71 D 8.14 4.00 0.00 2.39 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 72 E 7.26 4.28 0.00 1.30 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 2.14 2.15 0.00 73 V 8.18 4.80 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 0.80 0.00 0.00 0.80 0.00 0.00 74 K 8.56 4.42 0.00 1.85 1.67 0.00 1.91 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.41 7.81 75 D 9.73 4.48 0.00 2.87 2.70 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 76 G 7.91 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 0.00 0.00 0.00 77 K 7.82 5.23 0.00 2.08 1.82 0.00 1.54 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.53 7.81 78 A 9.35 5.35 1.19 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 79 W 8.76 5.91 0.00 3.60 3.22 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 0.00 0.00 0.00 80 S 9.66 5.25 0.00 3.96 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 81 V 9.35 4.92 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 1.03 0.00 0.00 1.01 0.00 0.00 82 V 8.84 4.72 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 0.95 0.00 0.00 83 V 9.18 4.85 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.05 0.00 0.00 84 R 8.94 4.94 0.00 1.79 1.82 0.00 3.42 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 85 A 8.94 4.98 1.20 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 0.00 0.00 86 T 8.68 4.94 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 1.21 0.00 0.00 87 A 9.03 5.17 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 88 E 8.62 4.77 0.00 2.10 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 2.31 2.30 0.00 89 I 8.57 4.35 1.82 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.06 0.92 0.00 0.00 90 V 8.85 3.78 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 0.88 0.00 0.00 1.12 0.00 0.00 91 R 8.53 4.27 0.00 1.79 1.90 0.00 3.11 0.00 0.00 2.87 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.48 0.00 92 K 7.85 4.07 0.00 1.91 1.93 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.53 1.10 7.81 93 L 8.71 4.05 0.00 1.73 1.74 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 94 D 8.05 4.37 0.00 2.90 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 95 E 8.15 4.09 0.00 2.25 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 2.42 2.42 0.00 96 I 8.00 3.76 2.08 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.84 1.08 0.00 0.00 97 A 7.81 4.19 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 98 Y 8.02 4.13 0.00 3.03 3.11 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 99 A 7.84 3.28 0.27 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 0.00 100 D 7.87 4.66 0.00 2.87 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 0.00 101 T 7.28 4.00 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 1.13 0.00 0.00 102 L 7.04 3.97 0.00 1.40 1.40 -0.09 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 103 E 8.38 4.20 0.00 1.99 1.77 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 2.23 1.86 0.00 104 L 7.91 4.52 0.00 1.56 1.63 1.04 0.83 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 0.00 105 K 8.30 4.44 0.00 1.77 1.57 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.23 0.98 7.81 106 P 0.00 4.57 0.00 2.03 1.97 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.05 0.00 107 W 8.68 4.53 0.00 3.40 3.06 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 0.00 108 I 7.64 4.34 1.96 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.69 0.95 0.00 0.00 109 P 0.00 4.35 0.00 2.13 2.01 0.00 3.78 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 110 T 8.24 4.50 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 1.23 0.00 0.00 111 L 8.50 4.15 0.00 1.69 1.62 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 112 K 7.83 4.41 0.00 1.94 1.72 0.00 1.86 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.37 0.98 7.81 113 Y 7.43 5.11 0.00 2.90 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 0.00 114 N 9.07 5.01 0.00 2.69 2.70 0.00 0.00 7.33 6.99 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 0.00 115 Y 8.60 5.11 0.00 3.09 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 0.00 116 V 9.17 4.69 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 1.06 0.00 0.00 1.04 0.00 0.00 117 R 8.88 4.44 0.00 1.49 1.68 0.00 3.04 0.00 0.00 2.87 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.16 0.00 118 I 8.81 4.41 1.74 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.54 0.78 0.00 0.00 119 V 8.58 4.29 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 0.92 0.00 0.00 0.85 0.00 0.00 120 P 0.00 4.75 0.00 1.95 1.95 0.00 3.71 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 121 N 9.37 4.79 0.00 2.53 2.84 0.00 0.00 6.68 7.53 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 0.00 122 E 7.97 4.74 0.00 1.99 1.72 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 2.27 2.32 0.00 123 I 8.46 4.94 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 1.36 0.79 0.93 0.00 0.00 124 T 9.16 4.52 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 0.00 125 G 8.70 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 R 9.14 5.13 0.00 1.91 1.34 0.00 3.08 0.00 0.00 3.02 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.78 0.00 127 E 8.86 5.33 0.00 2.02 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 2.27 2.54 0.00 128 F 10.17 5.22 0.00 3.03 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 0.00 129 T 8.60 4.75 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 1.25 0.00 0.00 130 L 8.70 4.38 0.00 1.65 1.62 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 131 G 8.51 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 0.00 0.00 0.00 132 E 8.67 4.09 0.00 2.00 1.76 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 2.23 1.88 0.00 133 E 8.45 4.35 0.00 1.91 1.65 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 2.12 1.85 0.00 * Residues marked with a * may have inaccurate shift predictions.