NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 32 E 4.3481 8.4029 116.7539 55.9325 32.6543 177.8524 33 L 4.0849 8.0838 123.8795 59.2032 41.5288 180.3139 34 S 4.5329 8.3881 118.3170 63.9520 62.6136 181.1545 35 Q 4.2943 8.0809 124.8368 61.4300 27.9117 183.7513 36 E 4.2778 8.0348 120.0471 60.8066 29.8101 181.0465 37 R 4.2665 7.9854 117.4562 59.4507 30.0498 179.2413 38 T 3.8862 7.8094 115.6048 66.5924 68.5130 176.6427 39 A 3.9878 8.1440 122.7172 55.0351 18.3429 179.7479 40 R 3.8887 8.0594 117.2652 59.7025 30.2066 178.8260 41 L 4.0441 8.0530 118.8321 57.7667 41.5601 179.2523 42 N 4.3239 8.4814 116.8019 56.1631 38.4634 176.9146 43 E 3.9310 8.2915 120.7017 59.2740 29.7607 178.7249 44 L 3.9536 8.0580 120.2562 58.0772 42.1625 178.4144 45 Q 3.9642 8.2044 119.6338 59.4190 28.7084 178.7005 46 R 3.9019 7.8058 117.2144 59.3125 30.2224 178.4230 47 A 4.2377 7.9056 119.0554 55.4427 18.4464 179.4403 48 L 4.2057 7.8901 116.2343 57.1585 43.3516 179.2474 49 V 3.9096 7.6313 119.2014 63.3592 27.3344 175.6052 *52 D 4.8128 7.7732 122.8022 54.2510 43.3485 178.5881 53 S 4.2191 8.2226 112.4274 61.4046 63.4876 175.4942 54 D 4.5840 8.2068 120.4172 57.0400 41.0216 178.6865 55 F 3.8931 7.8062 115.6163 59.8826 38.9607 176.8567 56 R 4.2767 7.6302 117.6967 57.7183 30.3148 176.7380 57 Q 4.7762 7.6817 117.7487 55.3000 30.0903 175.5400 58 I 4.2944 8.0036 119.5649 61.5842 37.7129 175.4653 59 A 4.6414 8.5571 128.3638 49.7965 21.1234 177.6999 60 L 4.2165 8.3258 123.7642 53.9725 40.1047 174.7532 61 R 4.5183 7.5220 119.5812 54.6300 32.9340 174.2870 62 Q 4.5941 8.8364 126.3041 56.1700 29.7661 175.6954 63 T 4.7375 9.0548 112.4838 59.7055 72.4897 173.5628 64 R 4.2665 8.2486 122.1750 56.7872 31.3586 175.2304 65 T 2.8770 7.9769 118.1146 63.0758 68.9803 172.5808 *71 S 4.2361 7.6405 117.1377 58.3151 64.9100 174.9601 72 K 5.0901 8.6571 123.5914 54.6999 34.7273 175.8177 73 K 4.6248 9.0496 120.5077 54.9226 36.3636 177.9126 74 L 3.9550 8.8683 123.0801 57.4642 41.8789 177.5223 75 L 5.0021 7.7710 116.0606 53.2103 44.9065 175.3585 76 H 5.0263 9.0543 120.5296 53.9926 31.3452 173.9677 77 W 5.7121 8.8256 133.2024 57.5149 32.3600 173.1542 78 A 4.1784 8.4096 128.8193 50.5639 21.8166 175.1878 79 D 3.9963 7.9688 119.8739 55.9871 41.3796 177.3865 80 Y 4.4653 8.8652 119.2248 58.0553 36.5865 169.3647 81 L 4.1949 7.2995 121.6251 56.5426 42.5402 176.8204 82 L 3.8458 9.4336 123.0263 55.9013 39.2540 174.3219 83 D 4.5403 8.2759 113.9139 54.9402 40.4018 173.7176 84 S 4.4797 7.9567 111.9493 58.2804 62.7666 175.1214 85 D 4.7979 9.1475 126.5140 56.5987 42.3032 175.9343 86 N 5.2075 7.6310 114.2003 52.6882 38.9919 178.0058 87 K 4.2552 9.1657 113.3531 56.0305 32.9453 174.9996 88 G 4.4682 8.7457 109.3879 44.7563 0.0000 171.0532 89 I 6.3000 8.9591 120.4469 58.0076 42.5293 173.6798 *91 F 5.0510 8.4016 116.8737 56.4376 39.5551 174.1306 92 A 4.8137 8.5335 121.2634 51.8462 19.8386 176.6632 93 R 5.1286 8.8648 116.6161 53.8516 33.6970 174.2100 94 L 3.9958 8.8770 123.6494 55.9253 41.8613 176.9984 95 G 3.7263 8.7790 115.6628 48.3527 0.0000 172.8601 96 W 4.7347 6.9552 115.2321 55.7419 31.0475 172.9554 97 H 5.1321 9.0026 118.1680 55.4398 29.0191 175.4068 98 N 5.0386 9.4754 121.4728 51.8731 39.6850 173.5755 99 P 4.4235 0.0000 0.0000 62.9151 32.0204 177.1146 100 Q 4.0526 8.9853 119.8915 59.4142 28.7518 178.8390 101 Q 4.1189 8.1660 114.0587 58.7469 28.7095 176.6841 102 Q 4.3003 8.5112 119.8409 55.1979 29.7997 174.3904 103 F 4.8243 8.5487 126.5790 55.3869 41.5783 173.2934 104 P 3.3061 0.0000 0.0000 61.9775 32.1850 176.5269 105 R 4.0968 8.3915 117.5761 58.5428 31.1211 176.9847 106 G 4.2134 7.8446 104.9734 44.3001 0.0000 172.7439 107 E 4.2790 8.7665 126.6091 54.6623 30.9106 174.7939 108 V 4.3692 8.1017 127.9163 62.1534 32.8094 175.1342 109 T 4.5361 8.4811 118.8194 59.7151 72.2724 172.6107 110 K 4.8711 8.3441 121.3669 54.9942 35.5140 175.7365 111 V 5.0381 8.5015 119.1975 59.8653 35.8486 174.6494 112 G 4.3969 9.0984 109.3268 45.3049 0.0000 170.8362 113 Y 5.4822 9.1413 116.6505 56.3474 42.2411 175.1452 114 R 5.0184 8.9775 117.7064 55.5893 33.9836 173.3149 115 I 4.9969 8.6792 120.3908 59.6109 39.7303 175.4723 116 K 4.7948 9.0236 126.1406 55.4815 34.8944 176.2351 117 D 4.4895 10.4831 127.1384 56.0840 38.7198 173.5616 118 E 4.5039 7.8221 109.9776 56.4271 27.9930 174.3437 119 R 5.1043 7.6789 117.2466 54.1328 33.0956 175.1834 120 L 4.7496 9.1105 127.1766 55.0851 43.3929 175.3617 121 E 5.1751 9.4214 125.5969 54.5183 33.4546 174.6469 122 R 4.4423 8.8526 123.8419 54.3465 32.7083 174.7020 123 V 4.6044 8.3976 126.0394 60.7242 34.6656 173.9866 124 W 5.3247 7.9505 135.0000 55.3963 34.2990 173.6306 125 W 4.5903 8.7310 126.4500 54.5017 31.6554 176.7576 126 R 2.7976 8.0825 123.9864 58.1501 29.1267 176.1978 127 Y 4.7244 7.1187 114.4934 55.2735 40.3077 174.9923 128 P 4.1623 0.0000 0.0000 64.3943 31.7174 175.9576 129 D 4.6961 7.3337 114.8612 52.5537 41.4397 175.6069 130 T 4.5034 7.9428 118.2642 59.3901 69.5293 171.1275 131 P 3.9153 0.0000 0.0000 66.5648 31.8425 176.6161 *134 Q 4.1498 7.7825 119.6081 55.3154 29.4366 177.8999 135 E 4.4380 8.8280 119.8940 54.7647 30.5692 173.2119 136 G 3.0021 8.1901 108.6194 44.7834 0.0000 173.4003 137 V 3.9130 8.1965 121.2487 62.1716 32.3972 174.9320 138 V 4.4630 8.2040 128.6393 61.9817 32.8242 174.9276 139 T 4.5384 8.9206 125.3642 60.7543 70.8589 171.6693 140 P 4.4846 0.0000 0.0000 63.5026 30.8621 175.5115 141 L 4.3792 8.7625 128.2954 56.9095 43.4670 176.8826 142 L 4.6876 7.5547 120.5837 54.2274 45.0734 175.3250 143 S 4.6309 9.2752 121.9071 58.1488 64.7397 173.1550 144 D 4.3032 8.4472 117.6897 55.8887 38.2822 174.1738 145 V 4.6851 8.0225 118.8773 61.5019 33.4299 176.6399 146 E 4.2138 9.6382 128.9882 58.7745 30.3793 176.9338 147 E 4.8068 8.0683 118.1748 54.3284 33.8178 173.6695 148 L 5.2491 8.6863 126.4607 53.3482 44.5906 174.8890 149 N 5.4913 9.3761 124.7526 51.8798 42.3863 172.9908 150 V 4.4690 8.1245 124.3827 60.9150 34.4676 174.5677 151 R 4.6331 8.1696 125.0001 54.2364 34.6179 174.2426 152 F 5.1936 9.0500 119.7307 55.8580 42.2489 173.6254 153 Y 4.1735 8.3500 125.8452 56.3535 39.2018 175.0471 154 D 4.9121 8.0195 126.3452 53.1369 39.8977 176.4990 155 G 3.9016 6.4841 109.4247 45.4275 0.0000 175.1220 156 K 4.3936 7.8769 116.2660 56.7239 34.7107 175.8330 157 Q 4.7993 7.4626 115.2186 53.8201 32.7960 174.2463 158 W 5.0938 9.0499 120.1658 56.1080 30.0842 175.8996 159 I 4.7569 9.3740 118.4530 59.3396 40.6578 175.7186 160 N 5.2358 9.0180 117.0179 53.0678 39.0439 174.3203 161 E 5.0894 8.0491 115.0788 54.9483 32.5092 174.4954 162 W 4.4465 8.3338 128.4642 55.8811 32.0317 174.4579 163 S 4.3876 7.6760 118.8515 57.5785 63.1577 173.5500 164 N 4.2165 6.5198 120.2393 53.4158 38.1865 174.2973 165 E 4.3872 8.5542 124.9551 56.9675 30.3358 177.2351 166 L 4.3979 8.1893 119.1438 56.0556 42.5473 176.2687 167 T 4.7453 7.6363 110.4886 60.4588 70.2973 172.8419 168 L 4.3369 8.2142 126.2023 52.8488 41.8610 175.1452 169 P 3.7045 0.0000 0.0000 62.1608 32.0429 177.1925 170 A 4.3599 8.0222 121.4347 55.0496 19.4528 177.1931 171 A 5.1138 7.5039 115.3187 50.9344 23.4926 175.5537 172 I 5.0522 8.9824 119.6716 59.5832 41.8327 174.4198 173 S 4.8411 8.9090 121.1345 56.4118 64.7907 172.6253 174 V 4.2400 8.6193 128.2195 61.1521 33.1222 173.7253 175 E 5.0263 9.1279 129.8985 54.3477 32.0100 174.3680 176 L 5.1465 8.8743 126.7500 53.3264 45.0791 175.6448 177 T 4.8400 8.4725 119.7069 62.0837 70.3345 173.5582 178 L 4.8726 8.7972 127.8608 53.5176 43.0654 178.3117 179 K 4.0943 8.7300 123.0819 59.7693 32.0998 178.2121 180 D 4.3644 8.1516 117.6944 55.8311 40.0189 177.1903 181 Y 4.3375 7.8267 115.3583 57.2721 39.3069 177.8006 182 G 3.8699 8.0941 108.4267 45.3185 0.0000 172.5745 183 K 4.8541 8.5774 122.1551 56.2884 32.8209 176.8717 184 I 4.7684 8.9612 117.8968 59.0927 41.1908 174.1784 185 A 5.0698 8.3337 124.0145 50.3924 22.5134 175.4700 186 R 4.2744 8.8467 119.6849 54.4679 33.7408 174.6373 187 T 4.7896 7.9116 119.7414 62.0495 70.4270 173.6211 188 Y 4.8538 9.0467 123.4185 56.1984 41.9695 174.6882 189 L 4.9978 8.7344 123.0657 54.1087 43.3520 176.1289 190 T 4.6911 8.0220 112.3456 59.0851 71.2478 172.6045 191 P 4.4501 0.0000 0.0000 62.4930 32.1484 176.1222 192 E 4.1945 8.5073 120.0756 55.7361 30.2869 175.6910 193 G 4.2974 7.5845 110.1453 44.2289 0.0000 171.8468 194 N 5.2835 8.0777 119.0761 51.2008 41.4364 174.2840 195 L 4.5911 9.4016 126.0320 54.4850 43.3271 177.2434 196 Q 4.3877 8.6869 123.8270 55.7373 29.4847 177.8369 197 K 4.1925 8.4154 121.0226 54.7665 32.4500 176.8105 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 32 E 8.40 4.35 0.00 1.91 1.83 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 2.21 1.88 0.00 33 L 8.08 4.08 0.00 1.73 1.71 0.92 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.39 4.53 0.00 3.73 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 35 Q 8.08 4.29 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 36 E 8.03 4.28 0.00 1.97 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 2.31 1.97 0.00 37 R 7.99 4.27 0.00 1.91 2.05 0.00 3.10 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 38 T 7.81 3.89 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 1.22 0.00 0.00 39 A 8.14 3.99 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.06 3.89 0.00 2.07 2.22 0.00 3.26 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.97 0.00 41 L 8.05 4.04 0.00 1.93 1.70 0.93 0.57 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 42 N 8.48 4.32 0.00 2.91 2.88 0.00 0.00 6.60 8.27 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 43 E 8.29 3.93 0.00 2.21 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 0.00 2.35 2.35 0.00 44 L 8.06 3.95 0.00 1.93 1.81 0.92 0.32 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 45 Q 8.20 3.96 0.00 2.36 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 46 R 7.81 3.90 0.00 2.04 2.01 0.00 3.24 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 47 A 7.91 4.24 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 48 L 7.89 4.21 0.00 1.83 1.78 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.63 3.91 2.25 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 1.07 0.00 0.00 1.03 0.00 0.00 *52 D 7.77 4.81 0.00 3.17 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 53 S 8.22 4.22 0.00 4.06 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 54 D 8.21 4.58 0.00 2.78 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 55 F 7.81 3.89 0.00 1.58 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 0.00 0.00 0.00 56 R 7.63 4.28 0.00 2.03 2.05 0.00 3.35 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.90 0.00 57 Q 7.68 4.78 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.99 0.00 0.00 0.00 0.00 0.00 2.29 2.50 0.00 58 I 8.00 4.29 1.72 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 0.47 0.22 0.75 0.00 0.00 59 A 8.56 4.64 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 60 L 8.33 4.22 0.00 1.60 1.62 0.94 0.88 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 61 R 7.52 4.52 0.00 1.77 1.74 0.00 3.32 0.00 0.00 3.20 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.70 0.00 62 Q 8.84 4.59 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.54 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 63 T 9.05 4.74 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 64 R 8.25 4.27 0.00 1.73 1.85 0.00 3.14 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 65 T 7.98 2.88 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 *71 S 7.64 4.24 0.00 3.92 4.06 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 72 K 8.66 5.09 0.00 1.64 1.85 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.43 7.81 73 K 9.05 4.62 0.00 1.15 1.49 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.37 7.81 74 L 8.87 3.96 0.00 1.74 1.79 1.08 0.97 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 75 L 7.77 5.00 0.00 1.54 1.68 0.58 1.03 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 76 H 9.05 5.03 0.00 3.19 3.31 0.00 5.63 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 W 8.83 5.71 0.00 3.59 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 78 A 8.41 4.18 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.97 4.00 0.00 2.16 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.87 4.47 0.00 3.21 3.03 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 L 7.30 4.19 0.00 1.91 1.61 0.97 0.82 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 82 L 9.43 3.85 0.00 1.94 1.87 1.14 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 83 D 8.28 4.54 0.00 2.88 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 S 7.96 4.48 0.00 4.08 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 85 D 9.15 4.80 0.00 2.73 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 86 N 7.63 5.21 0.00 2.67 2.01 0.00 0.00 6.31 7.20 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 87 K 9.17 4.26 0.00 1.81 1.05 0.00 0.61 0.00 0.00 1.10 0.00 0.00 2.24 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.24 1.14 7.81 88 G 8.75 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 89 I 8.96 6.30 2.58 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 2.06 1.50 0.00 0.00 *91 F 8.40 5.05 0.00 3.14 3.27 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 92 A 8.53 4.81 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 93 R 8.86 5.13 0.00 2.08 2.21 0.00 2.94 0.00 0.00 3.26 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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4.30 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.63 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 103 F 8.55 4.82 0.00 3.01 2.95 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 0.00 104 P 0.00 3.31 0.00 1.85 1.25 0.00 3.68 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.69 0.00 105 R 8.39 4.10 0.00 1.77 2.07 0.00 3.35 0.00 0.00 3.41 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.65 0.00 106 G 7.84 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.77 4.28 0.00 1.76 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 1.86 1.74 0.00 108 V 8.10 4.37 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 0.81 0.00 0.00 0.83 0.00 0.00 109 T 8.48 4.54 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 0.92 0.00 0.00 110 K 8.34 4.87 0.00 1.61 1.49 0.00 1.18 0.00 0.00 1.49 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.12 1.36 7.81 111 V 8.50 5.04 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 0.83 0.00 0.00 0.21 0.00 0.00 112 G 9.10 4.40 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 0.00 113 Y 9.14 5.48 0.00 3.20 3.03 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 0.00 114 R 8.98 5.02 0.00 1.96 2.11 0.00 2.85 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 115 I 8.68 5.00 2.06 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.05 1.07 0.00 0.00 116 K 9.02 4.79 0.00 1.72 1.71 0.00 1.85 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.54 7.81 117 D 10.48 4.49 0.00 2.76 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 0.00 118 E 7.82 4.50 0.00 2.20 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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3.91 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 0.79 0.00 0.00 1.01 0.00 0.00 138 V 8.20 4.46 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 0.79 0.00 0.00 0.83 0.00 0.00 139 T 8.92 4.54 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 140 P 0.00 4.48 0.00 2.05 2.12 0.00 3.46 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.07 0.00 141 L 8.76 4.38 0.00 1.72 1.92 0.97 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 142 L 7.55 4.69 0.00 1.85 1.54 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 143 S 9.28 4.63 0.00 4.05 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 0.00 144 D 8.45 4.30 0.00 2.88 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 V 8.02 4.69 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 1.12 0.00 0.00 1.09 0.00 0.00 146 E 9.64 4.21 0.00 1.88 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 2.36 2.28 0.00 147 E 8.07 4.81 0.00 2.03 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 2.35 2.35 0.00 148 L 8.69 5.25 0.00 1.79 1.70 1.03 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 149 N 9.38 5.49 0.00 3.09 2.61 0.00 0.00 6.15 8.31 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 0.00 150 V 8.12 4.47 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 0.00 0.00 -0.08 0.00 0.00 0.53 0.00 0.00 151 R 8.17 4.63 0.00 1.68 1.99 0.00 3.05 0.00 0.00 2.99 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.48 0.00 152 F 9.05 5.19 0.00 3.25 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 Y 8.35 4.17 0.00 1.43 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 D 8.02 4.91 0.00 2.88 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 0.00 155 G 6.48 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 0.00 156 K 7.88 4.39 0.00 1.76 1.83 0.00 1.50 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.19 1.35 7.81 157 Q 7.46 4.80 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.06 0.00 0.00 0.00 0.00 0.00 2.26 2.46 0.00 158 W 9.05 5.09 0.00 3.32 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 9.37 4.76 2.02 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.43 0.99 0.00 0.00 160 N 9.02 5.24 0.00 2.92 3.14 0.00 0.00 6.65 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 0.00 161 E 8.05 5.09 0.00 2.21 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 0.00 2.25 2.30 0.00 162 W 8.33 4.45 0.00 2.04 2.50 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 0.00 0.00 0.00 0.00 163 S 7.68 4.39 0.00 3.82 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 0.00 164 N 6.52 4.22 0.00 1.93 2.12 0.00 0.00 7.08 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 0.00 165 E 8.55 4.39 0.00 1.93 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 2.37 2.37 0.00 166 L 8.19 4.40 0.00 1.85 1.84 0.90 0.40 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 0.00 167 T 7.64 4.75 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 1.39 0.00 0.00 168 L 8.21 4.34 0.00 1.58 1.36 0.86 0.94 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 0.00 169 P 0.00 3.70 0.00 1.87 0.49 0.00 3.06 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.32 0.00 170 A 8.02 4.36 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 A 7.50 5.11 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 0.00 172 I 8.98 5.05 1.89 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.58 0.71 0.00 0.00 173 S 8.91 4.84 0.00 3.12 3.24 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 0.00 174 V 8.62 4.24 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 0.59 0.00 0.00 -0.06 0.00 0.00 175 E 9.13 5.03 0.00 1.86 1.78 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 2.15 2.30 0.00 176 L 8.87 5.15 0.00 1.60 1.55 0.95 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 177 T 8.47 4.84 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 1.28 0.00 0.00 178 L 8.80 4.87 0.00 1.68 1.83 1.09 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 179 K 8.73 4.09 0.00 1.65 1.87 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.24 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.71 1.42 7.81 180 D 8.15 4.36 0.00 2.25 2.58 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 0.00 181 Y 7.83 4.34 0.00 3.04 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 0.00 182 G 8.09 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 0.00 183 K 8.58 4.85 0.00 1.63 1.73 0.00 1.67 0.00 0.00 2.03 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.44 7.81 184 I 8.96 4.77 1.79 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 1.15 1.24 0.87 0.00 0.00 185 A 8.33 5.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 R 8.85 4.27 0.00 1.37 0.88 0.00 3.01 0.00 0.00 3.03 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.61 0.00 187 T 7.91 4.79 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 1.23 0.00 0.00 188 Y 9.05 4.85 0.00 2.75 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 0.00 189 L 8.73 5.00 0.00 1.55 1.59 0.92 0.86 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 0.00 190 T 8.02 4.69 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 1.11 0.00 0.00 191 P 0.00 4.45 0.00 2.20 2.09 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.09 0.00 192 E 8.51 4.19 0.00 1.99 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 2.31 2.31 0.00 193 G 7.58 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 0.00 0.00 0.00 0.00 194 N 8.08 5.28 0.00 2.59 2.71 0.00 0.00 6.94 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 0.00 195 L 9.40 4.59 0.00 1.51 1.59 0.93 0.86 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 0.00 196 Q 8.69 4.39 0.00 1.84 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.85 0.00 0.00 0.00 0.00 0.00 2.26 1.93 0.00 197 K 8.42 4.19 0.00 1.74 1.56 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.25 0.96 7.81 * Residues marked with a * may have inaccurate shift predictions.