NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 S 4.4553 8.1933 115.2941 58.4355 64.3339 175.2193 12 L 4.3085 7.7043 117.6586 54.7071 41.5700 176.9386 13 A 3.8834 8.7864 123.6295 54.8107 18.7387 177.4447 14 P 4.0615 0.0000 0.0000 65.5593 31.3280 178.5665 15 L 3.4322 7.3160 118.4702 57.8457 42.0283 178.6486 16 R 3.3214 7.4786 118.5446 59.4510 29.8448 178.2905 17 E 3.8636 8.3867 118.6389 59.1382 29.3955 179.1475 18 F 3.8585 8.0902 120.6172 61.2446 39.4768 177.0053 19 I 3.7162 7.7334 119.6114 64.8730 36.9738 178.5606 20 T 4.1452 8.1699 110.6193 64.5592 68.7480 177.0716 21 G 3.4172 8.1281 108.7966 47.4372 0.0000 175.5296 22 L 3.5858 7.7801 123.2481 57.5258 41.8873 178.9034 23 S 4.1660 8.0829 113.0382 61.4186 62.1265 176.0849 24 A 4.1240 7.7515 122.4219 54.8324 18.4745 179.0623 25 L 3.9687 7.7598 118.8744 58.4922 42.2366 179.4208 26 L 4.0820 8.1402 118.8405 57.6059 41.2815 179.0977 27 D 4.4673 8.1207 118.2837 56.9266 40.7772 177.6607 28 E 4.1846 7.9357 116.5695 55.6348 30.5448 176.1048 29 Q 3.4479 8.0474 117.8034 56.2419 26.8190 172.1467 30 P 4.4024 0.0000 0.0000 62.1719 32.7351 177.2403 31 G 3.7970 8.2760 106.1821 44.3499 0.0000 174.2235 32 E 3.7643 8.7261 120.6704 59.1153 29.5244 178.9355 33 A 3.9057 7.8583 120.2552 55.1711 18.4454 179.4644 34 R 3.7598 7.8006 116.7048 59.3444 30.1609 178.3658 35 I 3.3547 7.4500 119.7118 64.4627 37.0374 178.3930 36 L 3.7689 7.8151 119.7350 57.5552 41.4111 179.5526 37 R 3.7809 7.8264 118.6581 59.6018 30.1969 178.4778 38 E 4.0581 8.5359 118.9059 59.1822 29.4060 179.6446 39 G 3.5754 8.1528 106.2282 47.4909 0.0000 175.9207 40 G 3.6390 7.9316 107.8746 47.7291 0.0000 175.6502 41 A 3.9988 8.0727 123.2596 54.7028 18.4433 179.7624 42 L 3.9716 7.8439 117.6004 57.8816 41.6728 179.5381 43 L 3.6971 8.4954 120.4179 57.9593 42.1483 178.5703 44 A 3.9715 8.2893 121.1153 55.3196 18.0021 179.5724 45 R 3.8335 7.7585 116.0660 59.4105 30.2359 178.1700 46 L 3.9016 7.5634 118.7130 57.9450 42.1958 178.5802 47 V 4.3217 7.6630 108.4944 61.6681 31.8600 177.5646 48 A 4.2293 7.8814 121.5562 53.2299 18.4989 178.2340 49 R 4.5742 7.6106 115.0750 54.6959 33.5144 176.1347 50 D 4.6928 8.6023 124.9014 53.1095 39.6954 175.2853 51 D 4.9769 7.8852 115.0851 52.3205 40.7932 177.1545 52 W 5.2402 7.3281 115.1566 55.4449 29.8908 174.9924 53 L 3.7185 6.5140 121.1046 53.5265 41.7600 174.6022 54 P 4.5120 0.0000 0.0000 62.3070 32.3471 177.1574 55 D 4.3044 8.8679 121.0508 57.5038 40.9567 178.9566 56 A 3.8517 8.0118 120.5798 54.5800 18.3937 177.7912 57 F 4.6278 8.1072 112.8082 57.3625 38.9436 176.0736 58 A 4.6929 7.9283 120.3707 51.5652 20.0757 176.6003 59 Q 4.3011 7.9487 116.7922 54.7547 29.6249 174.3016 60 P 4.6267 0.0000 0.0000 62.3542 31.4422 174.5207 61 H 4.9155 7.9163 116.2325 53.3685 31.6634 173.7067 62 P 4.4974 0.0000 0.0000 65.0866 31.3975 176.8600 63 E 4.1955 7.4957 116.7397 56.7148 29.6093 175.8804 64 Y 4.8736 7.2347 115.1093 55.5443 41.1831 174.3907 65 Y 4.6584 8.6006 121.8018 57.4927 39.0338 175.1066 66 Q 4.4996 8.6601 120.5336 54.5608 31.2276 174.8377 67 Q 4.3727 8.4059 121.5538 53.5927 32.8943 174.2062 *69 L 4.1953 8.2454 121.5149 55.3734 42.1857 176.1338 70 L 4.3603 8.9402 125.8162 56.6268 43.4070 176.6328 71 H 4.6430 7.5945 114.7848 55.3172 33.1991 172.2329 72 C 4.8943 8.2082 124.8954 57.0611 34.3971 172.8488 73 D 4.0947 8.1995 126.1570 54.2349 41.2492 177.0146 74 S 3.9481 8.9242 121.9257 61.7478 62.9288 175.1920 75 A 4.3533 8.0352 119.1846 51.3157 18.7230 176.3801 76 E 3.8571 8.2262 115.8511 57.6359 28.1353 177.4489 77 R 4.2058 8.2252 119.3698 58.9638 30.8773 176.5690 78 F 6.0462 7.6309 110.3513 57.0898 41.0603 173.2833 79 S 5.2445 8.7525 113.2967 56.8776 67.0446 172.4934 80 I 5.3538 9.0637 122.1331 59.7572 40.4038 174.7821 81 V 4.7759 9.1784 126.1036 61.1957 35.2973 173.9923 82 S 5.1236 8.9056 122.2518 57.4555 63.3872 173.1030 83 F 4.4785 9.5927 127.9349 56.2760 40.4279 175.2769 84 V 4.2747 8.4790 125.7195 60.9921 33.2746 174.8485 85 W 4.8805 9.3207 130.4073 55.5422 30.1061 176.8984 86 G 4.2212 9.6806 113.4439 44.7981 0.0000 170.4177 87 P 4.6559 0.0000 0.0000 63.4000 31.4794 176.8554 88 G 4.0253 9.2599 110.8149 46.1651 0.0000 173.5546 89 Q 4.6748 8.1794 119.2160 55.8655 30.0068 175.3293 90 R 5.4601 8.5905 117.1208 55.0673 32.8596 174.4752 91 T 4.7280 8.9824 111.3806 60.3353 70.4019 172.5295 92 P 4.6745 0.0000 0.0000 62.2359 32.9888 175.7096 93 I 4.2361 8.1503 121.0263 61.7944 38.1015 175.2330 94 H 5.4253 9.0754 121.2401 55.0531 32.5123 171.7031 95 D 5.8500 8.5677 118.7417 51.4979 41.9376 174.8889 96 H 4.6218 8.9494 111.6449 56.5502 31.3209 175.9652 97 T 3.6761 9.3492 106.1634 61.9038 68.3408 171.4089 98 V 4.6344 7.2461 112.7549 58.9881 36.0603 174.7409 99 W 4.7499 8.5802 118.2590 57.1707 29.2680 175.2878 100 G 4.5405 9.6608 108.3863 44.8422 0.0000 171.2868 101 L 5.3642 9.2227 122.3090 52.6391 45.4841 175.5291 102 I 4.6114 8.9657 124.2489 59.7084 40.0560 174.4740 103 G 4.4510 8.7562 117.3632 44.8440 0.0000 172.7347 *105 L 4.4038 8.7073 120.8205 54.4251 43.9660 178.1070 106 R 4.6785 7.8141 113.6623 55.4118 33.3187 175.4431 107 G 3.8597 9.2141 106.7410 46.1551 0.0000 172.7336 108 A 4.6772 8.6223 124.0980 51.4839 23.3929 174.9299 109 E 4.7751 8.1952 116.3306 55.1263 33.6827 173.6703 110 Y 4.9652 8.4261 118.1771 56.2223 41.0264 174.7879 111 S 5.0357 8.9603 117.7572 56.4914 65.6967 172.2006 112 Q 4.7868 9.1593 129.0823 53.6156 30.9428 173.1036 113 P 5.0618 0.0000 0.0000 62.8296 32.7584 175.5115 114 F 5.1735 8.9328 120.0432 55.9405 42.9932 174.6646 115 V 4.6160 8.5918 113.5551 59.4594 35.7695 174.9765 116 L 4.7735 8.4603 122.7180 54.6012 42.8637 177.0655 117 D 4.7846 8.8921 122.9254 51.9958 41.9399 176.8360 118 G 3.6539 8.7865 107.0497 48.7407 0.0000 174.3952 119 S 4.5155 8.3255 111.5872 57.8004 63.2910 174.5121 120 G 3.9317 8.4102 108.3001 46.0479 0.0000 173.5051 121 R 4.7455 8.4403 118.9663 53.4756 32.4382 174.0423 122 P 4.7530 0.0000 0.0000 62.8424 32.1910 175.9008 123 V 4.6949 9.2342 117.3685 58.9003 35.2168 175.1314 124 L 3.5170 8.6948 123.3582 55.7946 42.2154 176.6355 125 H 4.4391 8.1256 122.4127 55.3962 31.8023 173.7183 126 G 3.7295 8.5366 114.7477 44.4264 0.0000 170.9440 127 E 4.2881 8.1769 117.5740 54.7247 30.4266 175.0388 128 P 4.8182 0.0000 0.0000 63.1513 32.5901 175.3809 129 T 4.6830 8.7471 111.2375 60.0765 71.6669 172.9221 130 R 4.3305 8.3766 123.9205 54.6123 31.6244 174.7225 131 L 4.4661 8.7833 129.2532 53.7910 43.8389 175.0928 132 E 4.6838 8.3564 125.1404 53.7146 32.3889 173.8338 133 P 4.4921 0.0000 0.0000 64.4593 31.8212 177.2520 134 G 4.0133 9.1011 110.3789 45.5430 0.0000 172.9035 135 H 4.8753 8.1216 116.8239 54.1357 30.8312 173.7694 136 V 4.9393 8.0821 120.7441 61.1440 34.4510 174.3603 137 E 4.9050 9.2853 124.3046 54.4850 32.9698 174.3521 138 A 5.3739 8.6034 122.2423 50.4963 21.7798 176.1802 139 V 4.8061 8.3686 113.0061 59.8327 36.1040 174.8889 140 S 5.1439 8.5131 115.4238 57.5720 65.9581 175.6162 141 P 4.3039 0.0000 0.0000 65.8768 31.3688 178.2404 142 T 4.1961 8.0645 113.7496 65.7641 68.7404 175.9511 143 V 4.0169 8.4764 111.8929 60.5473 32.8078 174.3713 144 G 3.5176 7.4404 107.6508 44.3852 0.0000 173.5653 145 D 4.9770 8.9338 125.2161 53.8186 44.1475 175.0911 146 I 5.2171 7.7118 119.7275 60.1054 39.8767 174.3655 147 H 5.4968 8.9657 121.3966 54.9281 32.7710 172.0610 148 R 5.0412 9.1559 118.3191 54.5262 33.2700 173.9808 149 V 5.0619 8.9481 125.6517 61.4114 34.8298 173.8340 150 H 5.0399 8.8117 121.3400 53.2859 32.4912 172.0184 151 N 4.1692 8.4080 118.8145 54.2754 38.6273 174.9139 152 A 4.3161 8.8458 128.2512 53.8074 19.0054 176.8197 153 Y 4.7019 8.5606 113.7333 56.3852 40.4969 176.0326 154 D 4.9525 8.8462 122.1628 54.5909 41.5090 176.5177 155 D 4.9351 8.0142 116.5953 52.4266 40.2931 174.6507 156 R 4.6545 7.5023 115.3259 55.3098 32.9459 173.8771 157 V 4.3850 8.2900 119.8996 62.8976 32.4034 175.2045 158 S 5.1715 9.2886 122.6659 56.9226 66.9442 173.0812 159 I 5.4982 9.2548 122.9562 59.7992 41.0191 174.6422 160 S 5.4109 9.4065 120.7492 56.6446 66.8679 172.8560 161 I 5.1400 9.0903 122.4545 60.2200 39.3958 174.2113 162 H 5.3263 9.6547 125.0790 53.9417 31.6732 173.7983 163 V 4.9741 8.6687 122.4485 61.4038 34.3302 173.8526 164 Y 4.7670 8.8229 124.8811 55.1577 41.6820 175.9393 165 G 3.3896 6.8159 108.5923 44.7095 0.0000 172.4355 166 A 4.6725 7.0245 119.8098 51.8328 22.0599 176.4600 167 N 4.5723 8.0543 117.5447 53.2461 38.0417 175.1233 168 I 3.5180 8.7766 127.8955 63.6390 38.1784 178.3516 169 G 2.9368 8.3014 108.7525 47.1431 0.0000 174.2966 170 G 3.9030 7.6949 106.8913 44.8794 0.0000 173.6768 171 V 3.5409 7.4349 121.7600 62.4974 31.9100 174.9988 172 R 4.4690 8.3851 126.9965 55.8433 30.4078 175.2768 173 R 4.6328 8.8194 123.9364 55.1559 33.1376 173.9179 174 S 5.3533 9.3166 113.3470 57.2534 67.0799 173.7507 175 V 4.8088 8.4935 121.7937 60.0940 34.7574 173.7149 176 Y 4.9911 8.5390 120.0920 56.1644 39.9039 176.2679 177 T 4.1498 8.9224 114.4764 61.0699 69.8047 175.2007 178 E 3.9015 8.7775 121.1807 59.5966 29.4219 178.5775 179 A 4.0937 7.8873 118.9116 53.1994 18.7876 177.8659 180 G 4.0769 8.1326 104.3810 45.2455 0.0000 173.6502 181 E 4.3536 8.1343 119.0209 55.4613 30.4004 175.5763 182 R 4.1697 8.2997 122.5455 55.4561 31.2907 175.6391 183 K 4.6685 8.5878 124.7922 53.7203 36.3089 174.2449 184 P 4.8190 0.0000 0.0000 63.1178 32.3973 175.6936 185 F 4.9997 8.9828 123.8555 57.2904 43.4036 172.9090 186 I 4.5052 8.2878 126.1450 58.1942 39.1365 175.5537 187 S 3.7670 8.0522 122.7367 60.0002 63.1396 175.9389 188 G 3.5146 6.9408 108.9817 44.1484 0.0000 171.7673 189 Y 4.9945 7.6829 114.1747 56.3419 41.4865 176.0872 190 S 4.3539 9.1073 118.4137 59.4008 63.5022 174.2489 191 N 5.0054 7.8825 117.9377 50.0648 38.9363 173.1285 192 P 4.2066 0.0000 0.0000 64.4343 31.9606 175.8748 193 Y 4.9866 7.6101 115.3084 56.0333 40.7419 174.7003 194 L 4.9063 8.4423 122.6466 52.1416 44.2653 174.5047 195 P 4.5912 0.0000 0.0000 62.7112 32.0283 176.0086 196 N 4.9077 8.3237 117.5261 51.3663 38.6212 171.1334 197 P 4.5027 0.0000 0.0000 62.1645 31.5284 177.2549 198 W 4.6314 8.1492 117.1523 56.8212 29.8973 175.5028 199 D 4.6284 8.0938 118.9834 53.9173 40.1848 175.3705 200 R 4.6230 8.4646 125.0123 55.9503 30.5881 177.7475 201 S 4.2488 9.1317 118.7242 60.9638 63.2700 175.1321 202 K 4.2203 7.8803 125.7096 54.3208 32.3973 177.7569 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 11 S 8.19 4.46 0.00 3.90 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 12 L 7.70 4.31 0.00 1.78 1.60 0.93 0.90 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 13 A 8.79 3.88 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 14 P 0.00 4.06 0.00 1.58 1.88 0.00 3.67 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 2.22 2.14 0.00 15 L 7.32 3.43 0.00 1.22 1.63 0.74 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.48 3.32 0.00 1.60 1.80 0.00 3.15 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.57 0.00 17 E 8.39 3.86 0.00 2.11 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 0.00 2.27 2.31 0.00 18 F 8.09 3.86 0.00 2.98 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 19 I 7.73 3.72 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 1.69 0.64 1.17 0.00 0.00 20 T 8.17 4.15 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 1.45 0.00 0.00 21 G 8.13 3.42 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 22 L 7.78 3.59 0.00 0.63 0.80 0.62 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 23 S 8.08 4.17 0.00 4.26 4.08 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 24 A 7.75 4.12 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 25 L 7.76 3.97 0.00 1.66 1.71 0.82 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.14 4.08 0.00 1.80 1.82 1.16 1.41 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 27 D 8.12 4.47 0.00 2.85 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 7.94 4.18 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 29 Q 8.05 3.45 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.93 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 30 P 0.00 4.40 0.00 2.08 1.99 0.00 3.76 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 1.90 1.98 0.00 31 G 8.28 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 32 E 8.73 3.76 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 33 A 7.86 3.91 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 34 R 7.80 3.76 0.00 1.82 1.96 0.00 3.32 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 35 I 7.45 3.35 1.42 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.32 -0.60 0.00 0.00 36 L 7.82 3.77 0.00 1.71 1.65 0.93 1.11 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 37 R 7.83 3.78 0.00 1.84 1.94 0.00 3.05 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 38 E 8.54 4.06 0.00 2.00 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 39 G 8.15 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.93 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.07 4.00 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 42 L 7.84 3.97 0.00 2.01 1.83 0.71 0.41 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 43 L 8.50 3.70 0.00 1.90 1.81 0.45 1.21 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 44 A 8.29 3.97 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 45 R 7.76 3.83 0.00 1.85 2.17 0.00 3.27 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 46 L 7.56 3.90 0.00 1.43 1.60 -0.43 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.66 4.32 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 0.97 0.00 0.00 1.04 0.00 0.00 48 A 7.88 4.23 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 49 R 7.61 4.57 0.00 2.11 1.91 0.00 3.31 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.14 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.18 4.29 0.00 1.93 1.85 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 2.24 2.20 0.00 128 P 0.00 4.82 0.00 2.17 2.05 0.00 3.67 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 1.91 1.86 0.00 129 T 8.75 4.68 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 1.21 0.00 0.00 130 R 8.38 4.33 0.00 1.46 1.64 0.00 2.96 0.00 0.00 3.02 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.50 0.00 131 L 8.78 4.47 0.00 1.65 1.39 0.88 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 132 E 8.36 4.68 0.00 1.60 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 2.14 2.10 0.00 133 P 0.00 4.49 0.00 2.06 2.23 0.00 3.69 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 2.05 2.27 0.00 134 G 9.10 4.01 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 0.00 0.00 0.00 135 H 8.12 4.88 0.00 3.39 3.21 0.00 5.76 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 V 8.08 4.94 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 1.00 0.00 0.00 137 E 9.29 4.91 0.00 2.02 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 0.00 2.15 2.23 0.00 138 A 8.60 5.37 1.24 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 0.00 0.00 0.00 139 V 8.37 4.81 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 0.67 0.00 0.00 0.90 0.00 0.00 140 S 8.51 5.14 0.00 4.13 4.08 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 0.00 141 P 0.00 4.30 0.00 2.13 2.24 0.00 3.79 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.20 0.00 142 T 8.06 4.20 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 143 V 8.48 4.02 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 0.69 0.00 0.00 1.00 0.00 0.00 144 G 7.44 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.93 4.98 0.00 2.98 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 0.00 146 I 7.71 5.22 2.19 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 1.51 0.85 0.95 0.00 0.00 147 H 8.97 5.50 0.00 3.43 3.47 0.00 5.22 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 R 9.16 5.04 0.00 1.95 2.09 0.00 3.19 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 1.64 1.82 0.00 149 V 8.95 5.06 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 0.75 0.00 0.00 0.80 0.00 0.00 150 H 8.81 5.04 0.00 3.25 3.29 0.00 5.34 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 N 8.41 4.17 0.00 2.88 2.89 0.00 0.00 7.11 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 A 8.85 4.32 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 Y 8.56 4.70 0.00 3.22 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 0.00 154 D 8.85 4.95 0.00 2.70 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.01 4.94 0.00 2.76 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.50 4.65 0.00 1.76 1.93 0.00 2.21 0.00 0.00 2.78 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.38 0.00 157 V 8.29 4.38 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 0.91 0.00 0.00 0.98 0.00 0.00 158 S 9.29 5.17 0.00 4.00 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 0.00 159 I 9.25 5.50 1.94 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 1.39 0.88 0.99 0.00 0.00 160 S 9.41 5.41 0.00 4.16 4.16 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 0.00 0.00 0.00 0.00 161 I 9.09 5.14 1.97 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.51 0.99 0.00 0.00 162 H 9.65 5.33 0.00 3.31 2.86 0.00 5.57 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 V 8.67 4.97 2.32 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 1.41 0.00 0.00 1.02 0.00 0.00 164 Y 8.82 4.77 0.00 2.89 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 G 6.82 3.39 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 0.00 166 A 7.02 4.67 1.14 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 0.00 0.00 0.00 0.00 0.00 167 N 8.05 4.57 0.00 2.82 2.75 0.00 0.00 6.52 7.83 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 0.00 168 I 8.78 3.52 1.71 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.71 1.10 0.00 0.00 169 G 8.30 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 0.00 0.00 0.00 170 G 7.69 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 0.00 0.00 0.00 171 V 7.43 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 0.89 0.00 0.00 0.90 0.00 0.00 172 R 8.39 4.47 0.00 1.69 1.83 0.00 3.17 0.00 0.00 3.23 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 173 R 8.82 4.63 0.00 2.10 1.99 0.00 2.99 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 174 S 9.32 5.35 0.00 3.86 3.42 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 0.00 175 V 8.49 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 0.72 0.00 0.00 0.62 0.00 0.00 176 Y 8.54 4.99 0.00 2.77 2.90 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 0.00 177 T 8.92 4.15 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 1.17 0.00 0.00 178 E 8.78 3.90 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 2.33 2.39 0.00 179 A 7.89 4.09 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 0.00 180 G 8.13 4.08 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 0.00 0.00 0.00 181 E 8.13 4.35 0.00 2.05 1.87 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 2.33 2.39 0.00 182 R 8.30 4.17 0.00 1.81 1.75 0.00 3.19 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.03 0.00 183 K 8.59 4.67 0.00 1.50 1.55 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.24 1.46 7.81 184 P 0.00 4.82 0.00 1.92 1.97 0.00 3.66 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 2.00 2.06 0.00 185 F 8.98 5.00 0.00 2.91 2.96 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 0.00 0.00 0.00 186 I 8.29 4.51 1.67 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.06 0.68 0.00 0.00 187 S 8.05 3.77 0.00 3.81 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 0.00 188 G 6.94 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 Y 7.68 4.99 0.00 2.93 2.96 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 0.00 0.00 0.00 190 S 9.11 4.35 0.00 3.77 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 0.00 191 N 7.88 5.01 0.00 2.97 2.82 0.00 0.00 6.09 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 P 0.00 4.21 0.00 1.35 1.93 0.00 3.64 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 1.61 1.79 0.00 193 Y 7.61 4.99 0.00 3.05 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 0.00 194 L 8.44 4.91 0.00 1.69 1.62 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 195 P 0.00 4.59 0.00 2.06 1.67 0.00 3.65 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.44 0.00 196 N 8.32 4.91 0.00 2.75 2.81 0.00 0.00 6.97 7.69 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 0.00 197 P 0.00 4.50 0.00 1.59 1.83 0.00 3.72 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 1.61 0.00 198 W 8.15 4.63 0.00 3.49 3.25 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 0.00 199 D 8.09 4.63 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 0.00 200 R 8.46 4.62 0.00 1.87 1.95 0.00 3.47 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.62 0.00 201 S 9.13 4.25 0.00 3.95 4.02 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 0.00 0.00 0.00 202 K 7.88 4.22 0.00 1.75 1.55 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.23 0.95 7.81 * Residues marked with a * may have inaccurate shift predictions.