NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 V 4.0493 8.0544 120.3921 63.0395 32.5584 175.6413 32 S 4.3605 8.2579 121.0939 55.3570 62.7905 171.1967 33 I 4.5573 8.0157 114.8816 59.7364 39.5186 176.2804 34 E 4.0222 8.4673 122.9402 59.4792 29.5706 177.0832 35 Q 4.3798 7.8117 116.2542 54.9246 29.8889 175.2116 36 S 4.5926 8.3334 118.5554 56.9773 64.2557 174.2483 37 V 3.7660 8.1913 125.2879 61.8257 31.9586 173.9556 38 P 4.4608 0.0000 0.0000 62.1494 32.4260 176.2026 39 Q 4.0674 8.5598 118.9960 56.0366 29.4392 177.5182 40 A 3.9704 8.7931 123.6125 55.6969 18.7735 178.8622 41 Q 4.1306 8.3870 116.1653 59.9025 29.1048 179.6460 42 T 4.0231 7.6761 111.9210 64.0822 68.1081 176.4425 *44 L 4.2811 8.0999 123.0937 55.0630 43.6727 179.8806 45 V 3.6930 7.8113 111.7776 64.1269 31.2205 178.4626 46 E 3.9086 8.4716 118.8646 59.5862 29.1525 179.5068 47 R 3.8348 7.8827 116.6287 59.0766 30.3067 177.1151 48 H 4.7965 8.1312 113.9798 55.8899 30.1054 175.4478 49 L 4.5442 8.0744 119.4720 56.1981 43.2803 178.7573 50 A 4.0562 7.9198 119.6640 54.7924 18.4569 178.4791 51 S 4.3325 7.6482 109.3073 59.7689 63.5694 174.9526 52 L 4.2401 7.4635 122.0146 54.8043 41.9991 177.6604 53 T 4.2389 8.9934 113.3430 61.1417 70.8081 175.8882 54 G 3.7095 8.6054 108.5534 48.3239 0.0000 175.5835 55 D 4.2086 7.8179 120.5892 57.0871 40.8418 178.5060 56 E 3.6560 7.3730 118.2820 59.2814 29.3692 179.4010 57 A 4.0552 8.1688 120.9818 55.2248 18.4737 179.9368 58 R 3.9277 8.3596 117.0662 59.1868 30.1932 179.2841 59 L 3.8029 7.9123 118.8655 57.6624 41.4172 179.3077 60 L 3.7457 7.7673 118.7034 57.9142 42.2942 178.3088 61 A 3.4634 8.2917 120.9035 55.1933 18.1039 179.5704 62 A 3.9790 7.6981 117.6650 54.9498 18.7191 179.2345 63 L 4.2430 7.6179 116.5015 56.4903 41.6729 179.2287 64 S 3.8192 7.3266 114.1833 60.3103 62.7689 174.4587 65 D 4.5335 7.6645 120.2489 53.0595 39.3429 177.1836 66 G 3.8935 8.0031 108.5170 45.2709 0.0000 174.5873 67 S 3.9094 8.0287 115.8625 58.7511 63.3265 173.3654 68 A 4.8956 7.8654 125.3201 50.1725 21.1308 175.6468 69 F 4.8631 8.6785 119.1856 54.9204 43.3365 174.6114 70 A 4.1667 8.5246 122.4878 52.0624 19.1008 176.8417 71 L 4.9944 9.2664 123.2922 53.3428 45.8255 174.9232 72 L 5.2489 9.1593 126.4815 53.4938 44.1611 175.4205 73 T 5.0672 9.0504 120.5893 61.7292 71.6803 173.0069 74 L 5.1343 8.9373 126.8519 53.8685 43.3653 175.2008 75 Y 5.1494 8.9575 122.5372 56.0337 40.0827 177.3237 76 S 4.1074 9.2164 118.1986 60.6511 63.8231 173.8898 77 G 4.5137 8.5602 107.0497 42.9860 0.0000 173.0813 78 S 4.6488 8.4083 114.6574 57.1458 63.9384 175.1790 79 R 3.7419 8.1549 116.3830 57.9769 28.9654 177.1307 80 F 4.7717 7.6400 116.6675 57.3767 39.6585 176.5612 81 S 4.7222 8.0528 112.9699 57.4158 64.5241 175.4946 82 R 3.8673 7.9752 124.2361 56.8387 31.3871 178.1225 83 G 3.9355 7.6946 105.3789 47.0567 0.0000 173.8755 84 E 4.8230 9.0477 123.7110 54.1525 32.5101 174.8922 85 V 3.5297 8.2268 122.1391 63.1114 31.4392 175.4832 86 L 4.6079 8.8957 128.1915 56.0660 43.7741 176.2922 87 Y 4.7069 7.3232 116.2897 56.7761 42.0844 173.3581 88 R 5.2230 7.7161 123.2405 54.7741 34.8702 173.3800 89 Y 4.8545 8.9867 122.4245 56.3935 42.7195 173.6714 90 S 4.8585 7.3772 117.8643 57.2328 65.8770 173.2798 91 N 4.6276 8.5725 119.3073 52.5987 37.7687 176.6176 92 A 3.4960 7.9211 123.4230 55.1649 18.0806 180.2666 93 G 3.5908 7.9051 103.9412 47.9800 0.0000 175.9753 94 R 3.8127 7.9506 119.7811 59.2944 29.9826 179.1048 95 A 4.0445 7.7913 118.2120 54.7769 18.5599 178.8042 96 A 4.0914 7.7099 117.9409 52.5825 18.5442 177.9611 97 G 3.8011 7.7437 104.9164 46.1207 0.0000 174.2501 98 I 3.9497 7.4035 112.6076 60.3280 38.2761 175.9774 99 Q 3.9843 9.6587 125.2109 59.0822 29.1733 176.6513 100 C 4.4815 8.5012 120.7980 57.5286 28.4961 174.1007 101 N 4.4359 8.2642 123.8130 55.6721 39.0222 176.7882 102 D 4.3747 7.7259 116.8697 56.9421 41.0872 177.4044 103 F 4.8000 7.3889 116.8993 57.2439 38.9134 177.2375 104 I 3.6157 7.3953 121.1259 64.2288 37.6106 177.8114 105 A 4.2128 7.7785 122.2802 54.5156 18.1748 179.3615 106 L 3.9005 7.7434 116.9600 58.1668 41.6784 179.2117 107 Y 4.4317 8.0816 116.9556 61.3141 37.7706 178.7483 108 L 4.1368 8.6069 120.2928 57.6571 41.6004 178.9869 109 N 4.3309 8.4472 117.2930 56.9592 38.8378 176.4306 110 H 4.1557 8.3447 119.4886 59.3356 30.0421 177.1440 111 L 3.9350 8.2057 120.9069 57.8745 41.3968 179.6665 112 F 3.9110 8.5504 117.5716 60.5179 38.6705 177.6794 113 A 4.0825 8.2030 119.3767 54.9611 18.2667 178.8601 114 Q 4.2326 8.1166 114.1719 55.8142 29.0151 176.7868 115 G 3.8840 7.8500 108.1516 46.2285 0.0000 174.6757 116 L 4.3286 7.8646 121.2702 55.7521 42.8574 176.8556 117 V 4.9263 7.2988 110.0898 59.3326 36.0027 174.3961 118 I 4.9131 8.8205 114.5295 59.3110 41.4700 173.7159 119 A 5.5724 8.9493 124.3215 50.5163 21.2239 175.8920 120 S 4.9088 8.9304 116.2311 56.3244 67.0238 173.0526 121 D 4.9190 8.8178 118.9581 53.8850 41.4803 176.2431 122 F 4.0144 8.6334 121.2240 58.9944 40.0509 174.8100 123 T 4.2618 8.2703 123.7610 61.2703 70.4237 174.7302 124 E 3.6785 8.5461 128.1991 59.1352 29.7836 178.9054 125 S 4.2043 7.7598 111.5621 60.4949 63.5853 175.0553 126 L 4.2202 7.7183 120.8528 54.5052 41.2031 177.9321 127 R 4.3379 7.8073 121.3938 60.3260 29.8390 178.3904 128 T 3.9104 7.9780 114.5059 66.9068 68.4300 176.0464 129 D 4.3223 7.9815 120.0776 57.5643 40.8267 178.1959 130 Y 4.2841 7.7905 117.1186 61.2183 37.9368 178.7215 131 E 4.0117 8.3865 119.3121 59.4538 29.4023 179.2479 132 L 4.0154 7.9982 117.9054 58.1968 42.0170 179.2149 133 C 4.4246 8.5263 116.8216 62.9949 27.8996 176.1154 134 E 3.9829 8.7285 119.2597 58.8513 29.0832 178.9696 135 G 3.8069 7.7644 104.0361 45.0072 0.0000 173.6341 136 D 4.5131 7.5929 122.5434 54.0333 41.9951 177.2951 137 S 4.2002 8.7386 121.4650 61.5283 63.1099 176.5291 138 D 4.2975 8.1896 122.1083 57.0755 40.6983 178.0271 139 F 3.9766 8.2889 121.1272 61.5025 39.2302 177.4415 140 R 3.6439 7.9501 117.5039 58.8040 29.7700 178.9184 141 K 3.7596 8.1170 119.3501 59.3931 32.2140 178.6972 142 A 3.6515 7.6874 120.9009 54.9580 18.1226 179.2876 143 Q 3.4816 7.6203 118.1585 59.1711 28.5116 178.4727 144 A 4.0243 7.8376 121.7119 55.1173 18.1535 179.3823 145 E 3.8588 7.8844 116.1062 59.6748 29.8735 179.4007 146 L 4.0971 7.8638 118.8714 57.7829 41.4051 179.5799 147 Q 4.1875 8.0123 117.3627 58.6140 28.5969 178.1860 148 I 3.7271 6.9684 119.6329 64.3351 37.2876 176.5432 149 H 4.8001 7.9797 112.6865 55.6459 30.4564 174.9906 150 L 4.7127 7.6290 120.6045 51.7531 41.1612 175.0571 151 P 4.3760 0.0000 0.0000 65.0106 31.8072 178.3991 152 K 4.2701 7.9629 115.9395 55.8455 32.4420 176.2156 153 L 4.0929 7.4427 121.0998 55.1662 42.5074 176.2903 154 S 4.8751 9.0178 119.4134 56.5368 66.7045 172.9187 155 I 4.7328 8.4043 122.4362 60.8955 38.1920 175.1177 156 R 4.6183 9.3183 127.1381 54.4246 33.0206 174.4499 157 R 4.5707 8.5594 125.6641 56.2135 30.9895 175.4521 158 E 5.0778 9.8627 123.1335 55.1477 34.8648 174.1057 159 T 5.1843 9.0853 116.3922 62.0595 72.0276 173.3801 160 L 5.0063 9.2071 129.1183 54.3912 43.8298 175.5974 161 R 4.9803 8.7706 123.6519 54.1791 35.2605 174.2210 162 I 4.0509 8.2394 121.2772 61.2900 38.7335 175.6749 163 S 4.5250 8.5045 123.3815 56.8386 64.7425 173.2488 164 P 4.2072 0.0000 0.0000 65.9474 30.8347 179.0104 165 L 4.0928 7.8890 117.3447 57.6751 41.6388 179.5152 166 G 3.5954 8.3494 106.0260 47.7173 0.0000 175.8010 167 R 3.9770 8.2853 121.2597 59.1767 30.1428 178.3937 168 Q 3.9779 8.3735 119.6310 59.1875 28.8582 178.2350 169 L 4.0218 8.0600 119.1734 57.4331 41.7458 178.8467 170 W 4.2127 8.4541 127.5834 60.9966 30.7218 177.7764 171 T 4.1322 8.1624 114.3663 66.4547 67.8825 177.2863 172 L 4.0349 7.6312 117.4452 55.3907 41.6595 177.3553 *174 T 3.9402 7.9305 114.9635 61.9238 69.0468 173.4554 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 31 V 8.05 4.05 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 0.95 0.00 0.00 0.93 0.00 0.00 32 S 8.26 4.36 0.00 3.89 3.70 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 33 I 8.02 4.56 1.87 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 1.30 0.85 0.91 0.00 0.00 34 E 8.47 4.02 0.00 1.94 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 2.29 2.34 0.00 35 Q 7.81 4.38 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.57 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 36 S 8.33 4.59 0.00 3.84 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 37 V 8.19 3.77 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 0.81 0.00 0.00 0.93 0.00 0.00 38 P 0.00 4.46 0.00 2.20 2.02 0.00 3.83 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 1.97 0.00 39 Q 8.56 4.07 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.85 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 40 A 8.79 3.97 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 41 Q 8.39 4.13 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.17 7.15 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 42 T 7.68 4.02 4.36 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 1.19 0.00 0.00 *44 L 8.10 4.28 0.00 1.92 1.80 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.81 3.69 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 0.86 0.00 0.00 0.97 0.00 0.00 46 E 8.47 3.91 0.00 1.98 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 2.43 2.44 0.00 47 R 7.88 3.83 0.00 1.72 1.94 0.00 3.15 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.62 0.00 48 H 8.13 4.80 0.00 3.29 3.32 0.00 5.67 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.07 4.54 0.00 1.78 1.64 0.87 1.15 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 50 A 7.92 4.06 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 51 S 7.65 4.33 0.00 3.96 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 52 L 7.46 4.24 0.00 1.78 1.63 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 53 T 8.99 4.24 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 1.25 0.00 0.00 54 G 8.61 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 0.00 0.00 0.00 55 D 7.82 4.21 0.00 2.06 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 56 E 7.37 3.66 0.00 2.01 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 2.22 1.72 0.00 57 A 8.17 4.06 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 58 R 8.36 3.93 0.00 1.92 2.12 0.00 3.12 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 59 L 7.91 3.80 0.00 1.77 1.58 0.91 0.17 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 60 L 7.77 3.75 0.00 1.69 1.85 0.79 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 61 A 8.29 3.46 1.49 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 0.00 0.00 0.00 62 A 7.70 3.98 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 63 L 7.62 4.24 0.00 1.71 1.62 0.82 0.89 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 64 S 7.33 3.82 0.00 2.92 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 7.66 4.53 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 66 G 8.00 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 67 S 8.03 3.91 0.00 3.98 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 A 7.87 4.90 1.05 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 0.00 0.00 69 F 8.68 4.86 0.00 2.93 2.86 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 70 A 8.52 4.17 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.27 4.99 0.00 1.89 1.69 1.11 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 72 L 9.16 5.25 0.00 1.62 1.60 0.02 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 73 T 9.05 5.07 4.35 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 0.60 0.00 0.00 74 L 8.94 5.13 0.00 1.68 1.62 0.65 1.06 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 75 Y 8.96 5.15 0.00 2.87 3.10 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 0.00 76 S 9.22 4.11 0.00 3.91 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.56 4.51 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 78 S 8.41 4.65 0.00 4.02 4.05 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 79 R 8.15 3.74 0.00 1.49 1.78 0.00 2.40 0.00 0.00 2.54 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.50 0.00 80 F 7.64 4.77 0.00 3.07 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 81 S 8.05 4.72 0.00 3.80 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 82 R 7.98 3.87 0.00 1.63 1.37 0.00 2.56 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 1.43 1.05 0.00 83 G 7.69 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 84 E 9.05 4.82 0.00 1.96 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 2.28 2.27 0.00 85 V 8.23 3.53 1.90 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 0.47 0.00 0.00 0.50 0.00 0.00 86 L 8.90 4.61 0.00 1.63 1.71 0.93 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 7.32 4.71 0.00 2.97 2.69 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 88 R 7.72 5.22 0.00 1.57 1.66 0.00 2.21 0.00 0.00 2.58 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.35 0.00 89 Y 8.99 4.85 0.00 3.47 2.78 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 90 S 7.38 4.86 0.00 3.84 3.50 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 91 N 8.57 4.63 0.00 2.89 3.04 0.00 0.00 5.83 7.16 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 92 A 7.92 3.50 0.50 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 0.00 0.00 93 G 7.91 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 R 7.95 3.81 0.00 1.81 1.96 0.00 3.28 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 95 A 7.79 4.04 1.34 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 0.00 0.00 0.00 96 A 7.71 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 G 7.74 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 98 I 7.40 3.95 2.19 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 1.26 0.65 0.87 0.00 0.00 99 Q 9.66 3.98 0.00 2.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.96 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 100 C 8.50 4.48 0.00 2.89 1.81 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 0.00 101 N 8.26 4.44 0.00 2.75 2.76 0.00 0.00 7.10 8.49 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 0.00 102 D 7.73 4.37 0.00 2.04 2.56 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 0.00 0.00 0.00 0.00 103 F 7.39 4.80 0.00 1.95 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 0.00 0.00 0.00 0.00 104 I 7.40 3.62 1.81 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 1.30 0.66 0.59 0.00 0.00 105 A 7.78 4.21 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 0.00 106 L 7.74 3.90 0.00 1.67 1.65 0.70 0.87 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 0.00 107 Y 8.08 4.43 0.00 3.13 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 0.00 108 L 8.61 4.14 0.00 1.80 1.93 0.86 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 109 N 8.45 4.33 0.00 2.95 2.98 0.00 0.00 6.81 7.51 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 0.00 110 H 8.34 4.16 0.00 3.38 3.54 0.00 5.84 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 0.00 111 L 8.21 3.93 0.00 1.66 1.53 0.87 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 112 F 8.55 3.91 0.00 3.17 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 0.00 113 A 8.20 4.08 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 0.00 114 Q 8.12 4.23 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.29 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 115 G 7.85 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.86 4.33 0.00 1.63 1.65 0.94 0.71 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 0.00 117 V 7.30 4.93 1.73 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 0.52 0.00 0.00 -0.44 0.00 0.00 118 I 8.82 4.91 1.95 0.00 0.00 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 1.14 0.88 0.92 0.00 0.00 119 A 8.95 5.57 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 0.00 120 S 8.93 4.91 0.00 3.89 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 0.00 121 D 8.82 4.92 0.00 2.63 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 0.00 122 F 8.63 4.01 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 8.27 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 1.10 0.00 0.00 124 E 8.55 3.68 0.00 2.13 1.93 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 2.46 2.42 0.00 125 S 7.76 4.20 0.00 3.95 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 0.00 126 L 7.72 4.22 0.00 1.45 1.07 0.69 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 127 R 7.81 4.34 0.00 2.28 2.06 0.00 3.21 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.95 0.00 128 T 7.98 3.91 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 129 D 7.98 4.32 0.00 2.57 2.56 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 0.00 0.00 0.00 0.00 130 Y 7.79 4.28 0.00 3.28 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 E 8.39 4.01 0.00 2.29 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 132 L 8.00 4.02 0.00 1.79 1.78 0.93 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 0.00 133 C 8.53 4.42 0.00 3.15 2.98 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 0.00 134 E 8.73 3.98 0.00 1.97 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 2.36 2.32 0.00 135 G 7.76 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 0.00 136 D 7.59 4.51 0.00 2.83 2.45 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 0.00 0.00 0.00 0.00 137 S 8.74 4.20 0.00 4.09 4.11 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 0.00 138 D 8.19 4.30 0.00 3.03 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 0.00 139 F 8.29 3.98 0.00 1.94 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 0.00 140 R 7.95 3.64 0.00 1.99 1.89 0.00 3.34 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.80 0.00 141 K 8.12 3.76 0.00 1.90 1.90 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.41 7.81 142 A 7.69 3.65 0.56 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 0.00 0.00 0.00 0.00 0.00 0.00 143 Q 7.62 3.48 0.00 1.30 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 144 A 7.84 4.02 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 E 7.88 3.86 0.00 1.98 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 2.28 2.48 0.00 146 L 7.86 4.10 0.00 1.68 1.64 0.74 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 147 Q 8.01 4.19 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 148 I 6.97 3.73 1.72 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.56 0.63 0.00 0.00 149 H 7.98 4.80 0.00 3.13 3.32 0.00 5.64 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 7.63 4.71 0.00 1.82 1.57 0.93 0.72 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 0.00 151 P 0.00 4.38 0.00 2.17 2.17 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 152 K 7.96 4.27 0.00 1.78 1.90 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.43 7.81 153 L 7.44 4.09 0.00 1.83 1.60 0.96 0.64 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 0.00 154 S 9.02 4.88 0.00 3.86 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 0.00 155 I 8.40 4.73 1.94 0.00 0.00 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 1.50 0.67 1.02 0.00 0.00 156 R 9.32 4.62 0.00 1.88 2.04 0.00 2.82 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 157 R 8.56 4.57 0.00 1.45 0.97 0.00 2.83 0.00 0.00 2.64 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.45 0.00 158 E 9.86 5.08 0.00 1.96 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 2.34 2.57 0.00 159 T 9.09 5.18 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 1.20 0.00 0.00 160 L 9.21 5.01 0.00 1.87 1.79 1.04 0.81 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 0.00 161 R 8.77 4.98 0.00 1.75 1.70 0.00 3.19 0.00 0.00 3.07 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 162 I 8.24 4.05 1.87 0.00 0.00 0.63 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 0.78 0.82 0.00 0.00 163 S 8.50 4.52 0.00 3.92 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 P 0.00 4.21 0.00 2.17 2.16 0.00 3.58 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 2.12 2.19 0.00 165 L 7.89 4.09 0.00 1.84 1.68 0.90 0.90 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 0.00 166 G 8.35 3.60 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 0.00 0.00 0.00 167 R 8.29 3.98 0.00 1.96 2.11 0.00 3.11 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 168 Q 8.37 3.98 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 169 L 8.06 4.02 0.00 1.92 1.78 0.92 1.14 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 0.00 170 W 8.45 4.21 0.00 3.50 3.26 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 0.00 171 T 8.16 4.13 4.43 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 1.24 0.00 0.00 172 L 7.63 4.03 0.00 1.79 1.67 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 *174 T 7.93 3.94 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 0.89 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.