NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3918 8.3349 115.2878 58.2995 62.5070 173.1414 3 L 4.0855 8.1189 126.4886 53.7055 42.0247 175.4193 4 K 4.2018 7.5173 121.2254 57.7511 33.0588 176.7247 5 G 3.9470 8.9006 114.7708 45.3317 0.0000 172.6095 6 K 4.6119 7.7406 119.9041 54.8048 34.2846 175.7287 7 R 4.5787 9.4774 126.3696 55.6968 31.3498 174.7631 8 I 4.8823 8.9929 127.8441 58.9545 40.5722 174.9176 9 G 4.0349 8.7987 117.5410 46.1774 0.0000 173.0398 10 F 4.3964 9.2596 124.9364 56.3755 42.4160 173.3947 11 G 4.6921 8.8221 114.3313 45.3098 0.0000 171.3103 12 F 5.3064 8.4771 120.5674 55.4648 42.1625 174.3150 13 T 4.5895 7.9780 111.8932 59.8355 71.7973 174.9866 14 G 3.8084 8.7597 109.1654 44.1991 0.0000 172.8044 15 S 4.1795 8.3970 112.8107 58.8371 63.1413 174.9956 16 H 4.6156 8.6773 120.5356 58.9034 28.9943 177.3560 17 C 4.2858 7.8205 111.3945 59.6515 29.4536 174.4473 18 T 4.0692 6.6405 115.7749 64.4582 67.6635 174.2828 19 Y 4.8649 6.5174 119.1762 57.6330 38.5254 176.4015 20 E 4.0199 7.9527 117.0113 57.4280 30.5448 176.9464 21 E 4.3349 8.0516 118.7495 58.5750 31.1185 177.5905 22 V 4.2622 7.3997 113.9375 59.4969 30.3594 174.6293 *24 P 4.4050 0.0000 0.0000 62.5322 34.0274 179.2334 25 H 4.4130 7.9610 115.4307 58.5985 28.5097 177.4052 26 L 3.8072 7.7464 120.3493 57.7796 41.4064 178.8125 27 E 3.9087 8.1624 118.4021 59.4296 29.5803 178.8187 28 K 3.9528 8.5213 118.4372 59.4941 31.7606 179.2471 29 L 4.0177 8.1625 119.2759 57.9048 41.4950 179.7805 30 I 3.8921 8.0703 119.4795 64.5504 36.9320 178.2126 31 A 3.8577 8.1084 120.4678 55.1455 18.1547 178.3610 32 E 4.2758 7.8381 115.0441 56.4789 30.0591 176.8321 33 G 3.8480 9.0405 106.7345 46.3037 0.0000 172.6107 34 A 5.1866 7.2950 119.5111 49.7382 21.7816 177.0423 35 E 4.3732 8.5974 121.4048 55.3641 30.9143 175.1885 36 V 4.7625 8.5070 127.5817 61.4813 33.2583 174.9116 37 R 4.3766 8.5597 127.6895 54.0350 31.7475 173.9747 38 P 5.2171 0.0000 0.0000 62.1112 33.2831 175.8667 39 V 4.9665 8.9429 122.4668 60.0758 35.0933 174.5876 40 V 4.9724 8.6408 117.3894 59.3940 34.1170 176.7090 41 S 4.2091 8.6293 119.6139 59.9788 63.8764 173.4554 42 Y 5.1437 7.2275 117.8117 56.5034 40.6382 176.8405 43 T 3.8959 8.8597 119.6759 64.3724 68.0022 174.2959 *55 A 4.1715 8.0448 124.5144 52.7975 20.4105 179.3801 56 E 4.4758 7.9024 117.3412 58.8742 27.8043 179.8504 57 W 4.4250 7.9912 131.6713 60.0475 31.3240 176.1837 58 I 3.9673 7.7658 118.0440 63.6775 37.1837 177.3898 59 K 4.2615 7.7589 120.7331 58.6040 31.2033 179.1099 60 K 4.2908 7.9302 120.9508 58.5478 32.2359 178.6608 61 I 3.8113 7.2921 119.0439 64.6124 37.1305 178.1901 62 E 4.3805 8.2083 119.7183 57.8424 28.8660 178.7542 63 E 4.1007 7.6959 119.3441 58.7982 29.7808 177.8010 64 I 3.7432 8.5650 119.2567 63.5404 37.5276 176.1225 65 T 4.5712 7.2852 111.5603 60.5646 69.1233 173.6382 66 G 3.9608 8.2390 111.2472 45.3673 0.0000 173.9019 67 F 4.9043 7.4717 116.4590 54.8229 42.9935 175.1274 68 K 4.1372 8.7503 123.8368 56.0699 32.5165 176.7600 69 A 4.3379 8.7927 127.1928 51.6468 18.7670 177.5556 70 I 3.8027 8.4577 125.3979 62.0159 37.3852 176.3034 71 N 5.3918 8.7917 120.3269 51.4745 38.5109 174.4419 72 S 4.8014 7.7046 112.5805 56.0508 68.0132 174.1866 73 I 3.8048 8.3238 123.7800 64.8482 36.5989 178.9075 74 V 3.7392 7.8079 118.6177 65.8211 31.2785 178.1217 75 G 3.7289 8.2000 104.1504 47.0274 0.0000 174.8017 76 A 4.3105 7.7491 122.3570 54.1562 19.0453 179.0799 77 E 3.9088 7.7483 116.0723 59.3829 29.5854 177.7595 78 P 4.4187 0.0000 0.0000 64.8203 31.5036 178.0681 79 L 4.4042 7.5548 119.4109 56.7232 41.1569 178.5890 80 G 3.7605 8.2882 107.0557 45.6612 0.0000 172.8614 81 P 4.5618 0.0000 0.0000 62.8601 32.8409 177.0140 82 K 4.3338 8.1560 116.9806 57.6204 33.6829 176.9283 83 I 4.5051 7.5046 112.2150 57.9978 36.8748 172.8814 84 P 4.9819 0.0000 0.0000 63.0689 32.2729 177.0611 85 L 4.4717 8.0646 120.1887 54.1431 43.0072 176.4155 86 D 4.5570 8.7122 120.8024 56.9031 41.7087 175.9684 87 C 5.0106 7.3022 116.9569 59.2484 35.1292 172.2294 *89 V 3.8720 8.3381 115.5990 62.9487 32.9055 175.8170 90 I 4.5526 8.2216 127.3645 59.4698 39.8099 174.6472 91 A 4.7565 8.0382 129.6294 49.7924 22.0293 174.0954 92 P 4.6546 0.0000 0.0000 62.4598 33.9362 174.9716 93 L 4.6261 8.4579 122.8447 53.3133 43.4042 176.2793 94 T 4.4616 8.4872 117.3640 60.9043 69.6671 175.0887 95 G 3.7980 8.5002 110.3035 48.1323 0.0000 174.7600 96 N 4.4672 8.3242 118.3481 56.7864 39.2138 177.7120 97 S 4.3821 7.7724 113.8397 58.7849 62.7378 176.4354 *99 S 4.3725 8.2703 116.2908 58.3795 63.8994 175.7015 100 K 4.0295 8.1165 118.4536 59.4143 31.9909 178.8250 101 F 4.5752 8.6874 121.1174 61.3694 39.1072 177.0990 102 A 3.8219 8.0150 118.8398 54.5108 18.2854 178.1410 103 N 4.7540 7.7405 111.8615 51.6197 39.3078 172.2074 104 A 3.4510 7.4595 129.8977 52.0716 16.2717 178.0442 *106 T 4.2696 7.8875 114.1218 62.3354 70.1912 174.3735 107 D 5.1042 8.1989 118.7998 54.1724 40.1190 175.7610 108 S 4.6724 7.6487 111.7864 57.2676 66.0585 172.1825 109 P 4.3251 0.0000 0.0000 65.8658 31.6303 178.3239 110 V 3.6231 7.7367 117.4097 65.9182 31.7704 178.6283 111 L 3.7725 7.8031 118.2482 54.9128 41.0154 178.8845 *113 A 4.1535 8.1832 123.6056 52.2133 20.6532 179.8875 114 A 3.8578 7.7909 117.5201 55.0895 18.4202 179.7641 115 K 3.9620 8.2786 118.0420 59.6376 32.0503 178.8646 116 A 4.1020 7.8842 119.4525 54.7496 18.6280 179.4453 117 T 4.0152 7.6111 114.3216 66.8391 68.7861 177.2154 118 L 4.1191 8.1081 120.4449 57.2497 41.2956 179.3325 119 R 3.9221 7.6769 118.2215 59.0072 30.0277 177.1829 120 N 4.8286 7.9587 112.8893 52.2753 38.9425 175.4426 121 G 3.8797 7.7300 108.3001 46.2073 0.0000 173.9186 122 K 4.5749 7.7504 117.7387 53.4586 34.1831 174.6152 123 P 4.8599 0.0000 0.0000 63.1911 32.6128 175.0253 124 V 4.5686 8.9622 123.0506 61.0524 34.2905 174.1539 125 V 4.7945 8.1787 126.6785 61.0183 34.3239 173.8090 126 L 4.7935 8.5548 127.0858 52.8121 44.8796 175.4478 127 A 4.8674 8.3167 126.3755 49.6875 19.8034 176.1325 128 V 3.8683 8.0590 120.6320 63.1245 33.1255 175.9379 129 S 4.8110 8.3442 115.4084 58.1996 63.8963 173.1364 130 T 4.8187 7.9114 119.3004 60.2460 70.7084 173.3199 131 N 4.7256 9.0542 124.3716 53.8319 38.0580 174.9186 132 D 4.9244 7.7980 118.2109 53.1274 40.3265 177.7417 133 A 3.9618 8.2499 125.6761 55.4905 18.4534 179.7171 134 L 4.6471 8.1327 113.2346 54.7965 43.0603 178.0332 135 G 4.1785 7.5281 106.8261 44.4296 0.0000 177.1034 136 L 3.9813 8.7258 124.0644 57.3464 41.8093 177.5193 137 N 4.7002 8.1092 115.0364 54.0651 38.9202 176.5540 138 G 4.0025 8.0549 106.9208 47.8980 0.0000 175.6060 139 V 3.7376 7.6769 119.1114 65.6001 31.8784 177.4057 140 N 4.5216 8.0568 115.8688 56.0110 38.2202 177.4867 141 L 3.8651 7.4489 116.8889 55.9923 41.9907 177.4622 *143 R 4.3363 7.8537 118.4667 56.0010 31.6475 178.3417 144 L 4.0377 7.7264 117.0647 54.7234 40.5952 178.5277 *146 A 4.2433 7.9997 121.1691 51.8381 20.3196 177.8884 147 T 4.2771 7.6414 113.4482 61.8495 69.5761 174.6491 148 K 3.7992 8.3705 124.1454 58.3029 32.5582 176.6437 149 N 4.4050 8.8820 118.6778 53.8676 35.9275 172.8853 150 I 4.8602 6.8785 118.5504 59.7345 39.3087 174.7605 151 Y 5.1624 9.0334 123.6208 56.2211 42.2819 174.3372 152 F 5.0870 9.7749 120.1293 55.4156 41.9868 175.6624 153 V 4.0433 8.5466 123.8431 61.7158 32.1180 174.0306 154 P 4.7241 0.0000 0.0000 63.6140 32.4055 175.0725 155 F 5.2552 8.1982 117.3637 55.9748 42.0653 173.6501 156 G 4.9353 7.9487 103.3603 46.8171 0.0000 172.4026 157 Q 5.0445 8.7766 119.6148 55.8940 29.0774 177.0828 158 D 4.7393 9.0843 123.4953 54.6717 40.8787 177.2361 159 A 4.6663 7.6983 119.0559 50.6322 20.6294 174.2820 160 P 4.3102 0.0000 0.0000 64.9365 32.1787 178.8857 161 E 4.1035 8.0198 115.9449 58.6675 30.0927 177.9088 162 K 4.1873 7.9987 116.6483 59.0943 32.4943 177.7356 163 K 4.6396 8.5366 118.6107 53.7504 33.3580 174.6165 164 P 4.4104 0.0000 0.0000 64.3409 31.8950 177.1373 165 N 4.6710 8.0396 113.1614 53.1852 39.2373 174.5867 166 S 5.6528 7.8803 115.2046 56.7989 64.8794 172.5520 *168 V 4.3718 8.0988 119.3819 62.5621 32.5171 174.5658 169 A 4.8026 8.8000 128.8310 51.8230 19.3750 177.7224 170 R 4.1275 9.1464 119.9312 55.8008 31.0974 177.6342 *172 E 4.3468 8.4239 117.3085 56.3869 31.3878 177.6277 173 L 4.4811 8.0278 117.6803 54.3950 41.7551 177.9810 174 L 3.8906 7.7449 122.6387 58.3420 41.9889 178.7666 175 E 3.9690 8.1288 117.7925 59.6886 29.6166 178.8572 176 D 4.3627 8.1558 118.2997 57.6143 40.6660 179.0995 177 T 3.8228 7.8201 116.1897 66.7931 68.4742 177.2063 178 V 3.5442 7.7525 114.2521 64.2121 31.2596 178.4765 179 L 3.9307 8.0289 118.8330 58.0584 41.4530 179.5567 180 E 3.9729 8.0500 117.8671 59.3540 29.4019 179.3593 181 A 3.2295 7.8431 122.2373 54.1274 18.0793 179.6062 182 L 3.9472 7.9600 117.2906 57.4073 41.6004 178.5934 183 Q 4.4998 7.0703 116.2858 54.8685 28.8851 175.8275 184 G 4.1732 7.7417 106.8976 46.2483 0.0000 174.0966 185 K 4.6789 7.7591 118.0660 54.0074 35.0303 175.1526 186 Q 4.4789 8.6128 123.1389 54.5675 29.9055 175.3561 187 L 4.1255 8.5392 127.5120 55.2480 42.8234 175.8239 188 Q 4.8316 8.2261 123.4603 52.9931 32.0856 173.6086 189 P 4.4023 0.0000 0.0000 62.9026 32.2292 176.7130 190 V 3.8968 8.2440 119.9755 62.7226 33.3276 175.2053 191 V 4.0567 7.5140 121.0270 61.0945 32.6304 175.1406 192 V 4.4227 8.3259 120.6074 59.4539 36.6282 175.6471 193 E 4.6296 8.5114 122.2783 54.9040 27.7564 177.3649 194 K 4.0460 8.2506 124.8807 59.0370 32.7456 178.6789 195 F 4.4052 7.7186 112.3779 58.9246 37.7742 176.0976 196 R 3.9775 7.2707 119.1863 56.7424 30.2174 175.6908 197 Y 4.2855 7.8666 118.7201 56.7160 38.8379 176.1462 *199 N 4.5740 8.6336 121.1275 52.4334 38.4142 171.2026 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 S 8.33 4.39 0.00 3.84 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 3 L 8.12 4.09 0.00 1.80 1.68 0.90 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 4 K 7.52 4.20 0.00 1.84 1.73 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.40 7.81 5 G 8.90 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 6 K 7.74 4.61 0.00 1.79 1.71 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.50 7.81 7 R 9.48 4.58 0.00 1.80 1.76 0.00 3.17 0.00 0.00 2.95 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 8 I 8.99 4.88 1.84 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 1.10 1.56 0.97 0.00 0.00 9 G 8.80 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 0.00 0.00 0.00 10 F 9.26 4.40 0.00 3.01 2.60 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 11 G 8.82 4.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.48 5.31 0.00 2.72 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 13 T 7.98 4.59 4.20 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 1.11 0.00 0.00 14 G 8.76 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.40 4.18 0.00 3.79 3.71 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 0.00 0.00 0.00 16 H 8.68 4.62 0.00 3.28 3.37 0.00 5.69 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 C 7.82 4.29 0.00 3.08 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 18 T 6.64 4.07 3.34 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 1.11 0.00 0.00 19 Y 6.52 4.86 0.00 2.40 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 20 E 7.95 4.02 0.00 2.09 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 2.22 2.23 0.00 21 E 8.05 4.33 0.00 2.06 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 2.28 2.31 0.00 22 V 7.40 4.26 2.29 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 1.17 0.00 0.00 1.17 0.00 0.00 *24 P 0.00 4.40 0.00 2.07 2.10 0.00 3.73 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 1.98 2.12 0.00 25 H 7.96 4.41 0.00 3.43 3.47 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.75 3.81 0.00 1.60 1.66 0.85 0.38 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 27 E 8.16 3.91 0.00 2.07 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 2.39 2.48 0.00 28 K 8.52 3.95 0.00 1.83 1.88 0.00 1.72 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.61 7.81 29 L 8.16 4.02 0.00 1.93 1.78 1.19 1.09 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 30 I 8.07 3.89 2.07 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 1.50 1.01 0.94 0.00 0.00 31 A 8.11 3.86 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 32 E 7.84 4.28 0.00 2.27 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 2.32 2.37 0.00 33 G 9.04 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 0.00 0.00 0.00 34 A 7.30 5.19 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 35 E 8.60 4.37 0.00 2.18 1.86 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 2.11 2.56 0.00 36 V 8.51 4.76 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 0.95 0.00 0.00 0.99 0.00 0.00 37 R 8.56 4.38 0.00 1.62 1.66 0.00 2.72 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.43 0.00 38 P 0.00 5.22 0.00 2.18 2.13 0.00 3.61 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.17 0.00 39 V 8.94 4.97 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 0.75 0.00 0.00 0.94 0.00 0.00 40 V 8.64 4.97 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 0.87 0.00 0.00 1.00 0.00 0.00 41 S 8.63 4.21 0.00 3.39 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 42 Y 7.23 5.14 0.00 3.19 2.85 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 43 T 8.86 3.90 4.30 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 1.32 0.00 0.00 *55 A 8.04 4.17 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 56 E 7.90 4.48 0.00 1.99 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 2.29 1.92 0.00 57 W 7.99 4.42 0.00 3.49 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 58 I 7.77 3.97 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 3.08 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 68 K 8.75 4.14 0.00 1.79 1.79 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.53 7.81 69 A 8.79 4.34 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 70 I 8.46 3.80 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.57 0.92 0.00 0.00 71 N 8.79 5.39 0.00 2.79 2.87 0.00 0.00 6.03 7.64 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 72 S 7.70 4.80 0.00 4.00 3.84 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 73 I 8.32 3.80 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.09 0.91 0.00 0.00 74 V 7.81 3.74 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 1.05 0.00 0.00 0.94 0.00 0.00 75 G 8.20 3.73 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 0.00 0.00 0.00 76 A 7.75 4.31 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 77 E 7.75 3.91 0.00 2.06 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 0.00 2.33 2.59 0.00 78 P 0.00 4.42 0.00 2.14 2.10 0.00 3.59 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 79 L 7.55 4.40 0.00 1.94 1.67 0.91 0.73 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 80 G 8.29 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 81 P 0.00 4.56 0.00 2.18 2.18 0.00 4.01 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.97 0.00 82 K 8.16 4.33 0.00 1.75 1.88 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.51 7.81 83 I 7.50 4.51 1.81 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 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0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 *113 A 8.18 4.15 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 0.00 114 A 7.79 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.28 3.96 0.00 1.92 1.84 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.49 7.81 116 A 7.88 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 0.00 117 T 7.61 4.02 4.39 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 1.28 0.00 0.00 118 L 8.11 4.12 0.00 1.74 1.74 0.99 0.80 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 0.00 119 R 7.68 3.92 0.00 1.98 2.14 0.00 3.24 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 120 N 7.96 4.83 0.00 2.75 2.82 0.00 0.00 7.09 7.68 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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0.00 3.83 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 0.00 130 T 7.91 4.82 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 1.29 0.00 0.00 131 N 9.05 4.73 0.00 2.87 2.93 0.00 0.00 5.90 8.06 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 0.00 132 D 7.80 4.92 0.00 2.89 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 0.00 133 A 8.25 3.96 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 0.00 134 L 8.13 4.65 0.00 1.80 1.72 1.03 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 135 G 7.53 4.18 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 0.00 0.00 0.00 136 L 8.73 3.98 0.00 1.63 1.76 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 137 N 8.11 4.70 0.00 3.02 2.79 0.00 0.00 7.11 7.91 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 0.00 138 G 8.05 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 0.00 139 V 7.68 3.74 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 0.89 0.00 0.00 0.92 0.00 0.00 140 N 8.06 4.52 0.00 3.05 2.85 0.00 0.00 6.77 6.74 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 0.00 141 L 7.45 3.87 0.00 1.61 1.77 0.60 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 *143 R 7.85 4.34 0.00 1.89 2.09 0.00 3.23 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.60 0.00 144 L 7.73 4.04 0.00 2.20 1.92 1.06 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 *146 A 8.00 4.24 1.26 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 0.00 0.00 147 T 7.64 4.28 4.22 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 1.10 0.00 0.00 148 K 8.37 3.80 0.00 1.70 1.74 0.00 1.83 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.44 7.81 149 N 8.88 4.41 0.00 2.93 3.16 0.00 0.00 6.95 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 0.00 150 I 6.88 4.86 1.95 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.70 0.95 0.00 0.00 151 Y 9.03 5.16 0.00 2.86 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 0.00 152 F 9.77 5.09 0.00 2.96 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 0.00 153 V 8.55 4.04 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 1.13 0.00 0.00 0.94 0.00 0.00 154 P 0.00 4.72 0.00 2.05 2.06 0.00 3.64 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 155 F 8.20 5.26 0.00 3.29 3.30 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 0.00 156 G 7.95 4.94 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 0.00 157 Q 8.78 5.04 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.79 0.00 0.00 0.00 0.00 0.00 2.69 2.32 0.00 158 D 9.08 4.74 0.00 2.77 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 0.00 159 A 7.70 4.67 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 0.00 160 P 0.00 4.31 0.00 1.95 1.95 0.00 3.37 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 1.26 1.80 0.00 161 E 8.02 4.10 0.00 1.92 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 2.20 2.21 0.00 162 K 8.00 4.19 0.00 1.75 1.88 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.41 7.81 163 K 8.54 4.64 0.00 1.73 1.69 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.42 7.81 164 P 0.00 4.41 0.00 2.04 2.12 0.00 3.72 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.17 0.00 165 N 8.04 4.67 0.00 2.90 2.84 0.00 0.00 6.80 7.57 0.00 0.00 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 7.88 5.65 0.00 3.93 3.95 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 0.00 0.00 0.00 *168 V 8.10 4.37 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 0.97 0.00 0.00 1.06 0.00 0.00 169 A 8.80 4.80 1.42 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 0.00 170 R 9.15 4.13 0.00 1.91 1.77 0.00 2.63 0.00 0.00 2.86 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.52 0.00 *172 E 8.42 4.35 0.00 1.96 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 0.00 2.26 2.45 0.00 173 L 8.03 4.48 0.00 1.76 1.64 0.80 0.25 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 0.00 174 L 7.74 3.89 0.00 1.62 1.60 0.81 1.06 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 0.00 175 E 8.13 3.97 0.00 2.12 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 2.45 2.52 0.00 176 D 8.16 4.36 0.00 2.84 2.71 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 0.00 0.00 0.00 177 T 7.82 3.82 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 1.28 0.00 0.00 178 V 7.75 3.54 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 0.80 0.00 0.00 0.93 0.00 0.00 179 L 8.03 3.93 0.00 1.82 1.69 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 180 E 8.05 3.97 0.00 2.07 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 2.45 2.44 0.00 181 A 7.84 3.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 L 7.96 3.95 0.00 1.71 1.70 0.88 0.73 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 0.00 183 Q 7.07 4.50 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.68 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 184 G 7.74 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 0.00 185 K 7.76 4.68 0.00 1.69 1.68 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.46 7.81 186 Q 8.61 4.48 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 187 L 8.54 4.13 0.00 1.62 1.58 0.91 0.71 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 0.00 188 Q 8.23 4.83 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.72 0.00 0.00 0.00 0.00 0.00 2.43 2.24 0.00 189 P 0.00 4.40 0.00 2.10 2.00 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.91 0.00 190 V 8.24 3.90 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 0.61 0.00 0.00 1.05 0.00 0.00 191 V 7.51 4.06 1.92 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 0.67 0.00 0.00 0.65 0.00 0.00 192 V 8.33 4.42 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 0.57 0.00 0.00 0.82 0.00 0.00 193 E 8.51 4.63 0.00 1.75 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 2.46 2.26 0.00 194 K 8.25 4.05 0.00 1.89 1.98 0.00 1.71 0.00 0.00 1.94 0.00 0.00 3.11 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.63 1.63 7.81 195 F 7.72 4.41 0.00 3.23 3.31 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 0.00 196 R 7.27 3.98 0.00 1.38 1.45 0.00 2.85 0.00 0.00 3.05 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.82 0.00 197 Y 7.87 4.29 0.00 2.90 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 *199 N 8.63 4.57 0.00 2.77 2.63 0.00 0.00 6.77 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 * Residues marked with a * may have inaccurate shift predictions.