NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 E 4.0311 8.3027 121.4458 56.0034 30.8006 175.4587 16 R 2.7967 7.4232 117.8950 58.9195 31.4387 173.0653 17 E 4.3687 8.7210 113.8066 56.8807 30.8481 177.6411 18 G 3.9240 8.0070 106.5968 44.2786 0.0000 175.1801 19 I 3.7308 8.3473 122.3126 64.6168 36.6650 177.8686 20 L 4.0082 8.0270 120.9126 57.9296 42.0310 178.3218 21 F 4.2493 8.2273 119.5365 62.0804 39.4643 177.1936 22 T 3.8289 8.4275 115.5148 66.9536 67.8689 176.5377 23 T 3.9015 8.4619 117.9248 66.5380 68.5385 175.6458 24 L 4.1119 7.5397 123.2196 57.0738 42.0408 178.0126 25 E 3.8735 8.0671 117.1761 59.6452 29.4964 179.5935 26 K 3.6273 8.2242 119.4886 59.4874 32.6176 178.9751 27 L 3.9840 7.5305 121.0853 57.6622 41.9747 178.8600 28 V 3.5368 8.3326 118.3805 65.9710 31.4962 177.5746 29 A 4.0560 8.7769 121.3605 55.2540 18.0083 179.2163 30 W 4.1829 8.0905 125.3390 61.0853 30.8970 177.8105 31 G 3.8120 8.3570 105.7375 47.5053 0.0000 175.2127 32 R 4.2516 8.7805 123.1657 57.0201 30.0205 178.6669 33 S 3.8970 7.8949 112.2530 61.2429 62.4772 174.6396 34 N 4.7154 8.2195 116.6431 52.7819 39.2280 175.0208 35 S 4.6632 7.3679 115.1362 58.1051 63.9203 173.7735 36 L 4.5252 7.8561 121.3258 55.3954 42.1841 177.0732 37 W 5.3584 10.0048 135.0000 54.4031 31.0508 170.9473 38 P 4.4977 0.0000 0.0000 62.7101 31.1142 176.2319 39 A 4.5808 8.3990 127.1930 49.2224 18.4201 174.3171 40 T 4.0205 7.9572 114.3785 61.9196 68.5192 173.8745 41 F 5.1843 9.1832 129.2180 56.8527 38.5850 173.9889 42 G 3.5988 8.0152 108.6251 47.4107 0.0000 171.5438 43 L 4.4943 8.9130 117.9195 54.3135 43.6963 179.9270 44 A 4.5740 8.4489 135.0000 52.0282 18.7332 180.3978 45 C 3.9661 9.0123 108.9474 63.4371 29.7462 176.1130 46 C 3.9559 8.3848 117.4033 62.6630 27.3721 175.5823 47 A 3.9466 7.7119 120.9326 55.6480 18.2206 179.4644 48 I 3.8915 7.7643 117.7818 64.1283 37.1852 177.8039 49 E 4.1556 8.0883 118.1545 57.8264 30.1623 176.6357 50 M 4.3289 7.9792 115.1992 56.5765 32.0622 177.5520 51 M 4.2116 7.7926 118.7732 57.0429 32.4583 177.0684 52 A 4.5513 7.8886 120.8456 52.3148 18.6033 177.6925 53 S 4.6285 7.5322 110.9795 59.7649 64.3473 175.1783 54 T 4.2198 7.3461 119.8481 62.3863 67.0000 175.8515 55 D 4.6428 7.6608 120.1547 52.7874 42.0474 174.6973 56 A 4.6002 8.0029 134.5668 51.1348 20.4733 174.5046 *74 Q 4.2136 8.2978 113.4817 56.3461 30.0868 173.9379 75 A 5.0250 8.2810 119.8433 50.9496 21.9675 174.7941 76 D 4.8715 8.0420 119.5594 51.8210 43.2144 175.4730 77 V 3.6494 8.4959 117.7839 63.8818 28.9744 169.0482 78 M 4.9252 8.8553 119.8227 53.7599 33.6847 175.7302 79 I 4.5215 8.0251 124.0581 59.9100 39.3853 174.9792 80 V 4.3719 8.6738 128.3972 61.9507 32.4912 174.3756 81 A 4.8036 9.5538 130.8426 49.7356 19.7488 175.6641 82 G 4.1086 8.0436 108.1181 44.0369 0.0000 170.0044 83 R 3.9206 7.7918 119.5493 55.9436 30.5079 177.4570 84 L 4.2124 8.4886 127.8636 53.6874 41.9820 175.8481 85 S 4.5225 8.3017 120.3216 57.9453 63.2850 174.9674 86 K 4.0151 8.3475 123.3466 59.0738 31.8115 179.5037 87 K 4.0950 7.5997 119.7068 59.3449 32.3776 178.1406 88 M 4.2112 8.0170 117.9374 58.5304 32.3480 176.9119 89 A 3.7828 8.1971 119.4473 55.1489 18.5525 177.2655 90 P 4.2163 0.0000 0.0000 65.9139 31.1524 178.8845 91 V 3.5174 7.9317 117.6036 66.1625 31.3509 177.3968 92 M 3.6979 8.2314 116.1402 59.3236 32.1413 177.1859 93 R 3.9115 8.0022 117.5673 59.8207 29.9500 178.1756 94 R 3.7588 8.3154 118.7643 58.8163 30.1123 179.0970 95 V 3.6024 7.6958 116.6060 64.6562 31.5934 177.6844 96 W 4.2695 8.9820 129.6623 60.4278 30.8511 177.6097 97 E 3.6045 8.5055 118.0134 59.0858 29.1175 177.6909 98 Q 4.1923 7.5555 119.2123 56.5560 29.0529 174.7526 99 M 4.7911 7.0926 115.4719 52.1838 36.1698 173.9674 100 P 4.2686 0.0000 0.0000 62.6645 32.2687 175.9580 101 D 4.2547 8.6553 122.8994 57.0010 41.4336 176.4114 102 P 4.1586 0.0000 0.0000 61.4582 28.9514 174.4334 103 K 4.5886 6.7174 119.9237 54.7076 36.7738 175.2510 104 W 5.4588 8.5159 118.1359 55.6971 34.4478 174.2208 105 V 5.2194 8.9785 119.5259 60.5996 34.5792 173.8289 106 I 4.9774 8.5450 128.0120 59.4338 40.6879 174.3513 107 S 4.9239 8.7506 122.2153 56.9261 64.6357 172.9662 108 M 4.3605 9.3693 126.7740 55.8176 32.8635 177.1495 109 G 3.8024 8.9857 115.8120 44.6391 0.0000 172.8242 110 A 3.6529 8.7661 117.0147 56.1030 18.0656 181.4039 111 C 3.5909 7.9920 114.4863 61.4819 29.8070 175.9267 112 A 4.0675 8.0560 121.9524 55.3446 18.1189 179.1024 113 S 4.2776 7.7229 110.9853 60.7227 63.5547 177.2845 114 S 5.0753 7.8807 115.8469 56.7810 65.6834 176.2223 115 G 4.3648 8.0292 103.3559 45.2150 0.0000 174.7041 116 G 3.9353 8.2071 108.8994 46.8051 0.0000 175.0633 117 M 4.3221 8.2100 121.2884 54.8308 31.4862 176.6127 118 F 4.6243 7.6851 119.2772 56.3831 39.4755 173.7661 119 N 4.7223 8.3307 122.0409 51.9417 37.7572 174.1638 120 N 4.9023 8.0769 119.4944 51.5438 39.9664 175.3557 121 Y 4.2387 9.1780 116.7369 60.0666 38.3337 177.9657 122 A 3.6249 6.8845 123.0165 54.0062 18.6503 177.0588 123 I 4.7891 6.7099 112.8495 59.1301 39.9917 175.5922 124 V 3.9211 7.8607 122.4935 62.5598 32.1864 176.7808 125 Q 4.0862 8.6344 124.9537 58.6077 29.1151 175.7204 126 N 5.4390 7.9831 114.1353 53.5280 41.1694 174.5697 127 V 3.0642 8.7129 127.6601 66.2784 31.5953 177.0534 128 D 4.8701 8.7728 115.9814 55.1817 40.7985 176.5752 129 S 4.4875 8.6696 114.4622 60.2508 63.4631 174.4776 130 V 4.1270 8.1634 111.5955 62.2756 33.6389 175.9977 131 V 3.3218 7.0654 112.2821 57.9818 33.3299 173.6322 132 P 4.4368 0.0000 0.0000 62.9711 31.6363 175.7626 133 V 4.2515 8.9797 123.3378 61.6434 32.8168 174.9333 134 D 4.8227 8.9725 125.9828 55.4917 42.7200 177.3934 135 V 4.4014 7.2931 117.9279 61.5853 34.8918 173.4073 136 Y 5.2224 9.1086 125.6393 55.9220 39.8351 175.4166 137 V 4.4728 8.7924 123.8057 58.2803 33.7501 175.7628 138 P 4.7686 0.0000 0.0000 62.9004 28.9983 174.8743 139 G 4.1039 7.5223 107.2198 45.5137 0.0000 172.6394 140 C 5.7213 7.7793 115.9103 58.5840 32.7829 170.8941 141 P 4.8151 0.0000 0.0000 60.0651 33.2154 174.7356 142 P 4.3585 0.0000 0.0000 62.3433 32.0992 176.2830 143 R 3.9434 8.5899 120.5907 56.0754 31.0434 175.1247 144 P 4.2101 0.0000 0.0000 66.3501 31.3211 178.5817 145 E 4.0548 8.3851 116.1269 59.6785 29.0702 179.4208 146 A 3.9641 8.0144 120.2205 55.1899 18.9016 179.0360 147 L 4.0775 8.3750 119.0755 58.7444 42.0865 178.6354 148 I 3.6522 7.8253 119.1216 64.5484 37.1169 177.1701 149 Y 4.0240 8.4576 120.2684 60.8469 38.5752 178.9576 150 A 4.0246 7.9143 121.2491 55.4141 17.7821 180.0901 151 V 3.5298 7.8450 110.9397 64.5883 31.4518 178.5289 152 M 4.3232 7.9234 118.1222 58.6175 31.5055 178.4530 153 Q 3.5878 7.3643 117.9726 58.7112 29.3739 177.6138 154 L 3.9289 7.5722 121.4715 58.2208 41.9986 178.2009 155 Q 3.6652 9.1368 119.4369 59.4193 28.6933 178.3694 156 K 4.0156 8.6939 118.5632 57.7633 32.0712 178.3783 157 K 4.1414 7.3387 120.5071 58.3252 32.8421 178.3272 158 V 3.7246 7.6104 111.8123 64.4763 31.3652 178.5725 159 R 4.1077 7.6836 116.8566 58.4918 30.5559 177.8811 160 G 4.0909 8.1997 105.9205 45.3870 0.0000 174.6166 161 Q 4.3089 7.3050 113.6207 56.8162 28.5189 176.7788 162 A 4.2981 7.5487 121.3025 49.9778 18.9297 173.9124 163 Y 4.7264 7.0172 117.9621 55.4951 40.0953 175.7860 164 N 4.8311 8.8527 118.9246 54.6228 42.2433 174.6820 165 E 3.8272 8.3258 118.3844 57.5879 28.5224 177.1627 166 R 3.8727 8.9335 119.1714 57.9237 31.1816 176.1077 167 G 4.0742 9.0537 104.9839 46.1037 0.0000 173.5088 168 E 4.4141 7.7127 117.8457 54.7675 30.8248 176.2152 169 R 4.2310 8.3026 120.9971 56.0297 30.6649 176.1639 170 L 4.6120 8.6027 123.5734 52.4090 43.0047 174.9932 171 P 4.5687 0.0000 0.0000 62.3556 31.9534 174.5814 172 P 4.7150 0.0000 0.0000 64.3984 31.9443 176.4657 173 V 4.4209 7.6114 110.3541 59.5905 33.9457 174.9597 174 A 4.4076 8.8291 122.4256 53.7642 19.7211 176.1789 175 A 4.1521 8.8048 122.7873 52.5308 18.8504 177.2237 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 15 E 8.30 4.03 0.00 1.94 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 2.22 2.22 0.00 16 R 7.42 2.80 0.00 1.81 1.69 0.00 3.57 0.00 0.00 3.49 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 17 E 8.72 4.37 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 18 G 8.01 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 19 I 8.35 3.73 1.89 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 1.54 0.71 0.92 0.00 0.00 20 L 8.03 4.01 0.00 1.80 1.67 0.94 0.92 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 21 F 8.23 4.25 0.00 3.16 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 0.00 22 T 8.43 3.83 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 1.23 0.00 0.00 23 T 8.46 3.90 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 1.17 0.00 0.00 24 L 7.54 4.11 0.00 1.94 1.46 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.07 3.87 0.00 2.14 1.84 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 2.35 2.26 0.00 26 K 8.22 3.63 0.00 2.08 2.24 0.00 1.23 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.60 7.81 27 L 7.53 3.98 0.00 2.06 1.78 0.75 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.33 3.54 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 1.00 0.00 0.00 0.91 0.00 0.00 29 A 8.78 4.06 1.48 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 0.00 0.00 30 W 8.09 4.18 0.00 3.50 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 31 G 8.36 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 32 R 8.78 4.25 0.00 1.94 2.07 0.00 3.50 0.00 0.00 3.38 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.61 0.00 33 S 7.89 3.90 0.00 3.75 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 34 N 8.22 4.72 0.00 2.57 2.74 0.00 0.00 7.01 7.21 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 35 S 7.37 4.66 0.00 4.07 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 36 L 7.86 4.53 0.00 1.65 1.65 0.66 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 37 W 10.00 5.36 0.00 3.28 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 4.50 0.00 1.77 1.95 0.00 3.51 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.12 0.00 39 A 8.40 4.58 1.21 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 40 T 7.96 4.02 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 1.17 0.00 0.00 41 F 9.18 5.18 0.00 2.99 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.02 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 43 L 8.91 4.49 0.00 1.31 1.26 0.72 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.45 4.57 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 C 9.01 3.97 0.00 3.11 3.23 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 0.00 46 C 8.38 3.96 0.00 3.01 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.71 3.95 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.76 3.89 2.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.82 0.90 0.00 0.00 49 E 8.09 4.16 0.00 1.90 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 2.35 0.00 50 M 7.98 4.33 0.00 2.37 2.27 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.52 0.00 51 M 7.79 4.21 0.00 2.12 2.29 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.46 0.00 52 A 7.89 4.55 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 53 S 7.53 4.63 0.00 3.97 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 7.35 4.22 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 55 D 7.66 4.64 0.00 2.59 2.59 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 56 A 8.00 4.60 1.25 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 0.00 0.00 *74 Q 8.30 4.21 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 75 A 8.28 5.02 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 76 D 8.04 4.87 0.00 3.19 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 77 V 8.50 3.65 2.24 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 1.04 0.00 0.00 1.19 0.00 0.00 78 M 8.86 4.93 0.00 2.30 2.27 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.82 0.00 79 I 8.03 4.52 1.90 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 1.14 0.61 0.93 0.00 0.00 80 V 8.67 4.37 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 0.94 0.00 0.00 1.04 0.00 0.00 81 A 9.55 4.80 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 82 G 8.04 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 0.00 0.00 0.00 83 R 7.79 3.92 0.00 1.53 1.70 0.00 2.65 0.00 0.00 2.98 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.45 0.00 84 L 8.49 4.21 0.00 1.67 1.55 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.30 4.52 0.00 3.84 3.65 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 86 K 8.35 4.02 0.00 1.78 1.85 0.00 1.91 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.40 7.81 87 K 7.60 4.09 0.00 1.70 1.82 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.45 7.81 88 M 8.02 4.21 0.00 2.28 2.02 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.62 0.00 89 A 8.20 3.78 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 90 P 0.00 4.22 0.00 2.29 2.37 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.07 0.00 91 V 7.93 3.52 2.39 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 1.04 0.00 0.00 0.97 0.00 0.00 92 M 8.23 3.70 0.00 2.20 2.65 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.70 0.00 93 R 8.00 3.91 0.00 2.00 2.06 0.00 3.44 0.00 0.00 3.31 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 94 R 8.32 3.76 0.00 2.06 2.00 0.00 3.19 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 95 V 7.70 3.60 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 0.56 0.00 0.00 0.81 0.00 0.00 96 W 8.98 4.27 0.00 3.39 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 97 E 8.51 3.60 0.00 2.05 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 2.61 2.79 0.00 98 Q 7.56 4.19 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 99 M 7.09 4.79 0.00 1.75 1.62 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.35 0.00 100 P 0.00 4.27 0.00 2.10 2.00 0.00 3.78 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 101 D 8.66 4.25 0.00 2.52 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 P 0.00 4.16 0.00 2.01 1.91 0.00 3.57 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 1.97 1.97 0.00 103 K 6.72 4.59 0.00 1.62 1.68 0.00 0.90 0.00 0.00 1.22 0.00 0.00 2.22 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 1.27 7.81 104 W 8.52 5.46 0.00 3.39 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.98 5.22 2.23 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 1.11 0.00 0.00 1.10 0.00 0.00 106 I 8.54 4.98 1.90 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.95 0.98 0.00 0.00 107 S 8.75 4.92 0.00 3.94 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 0.00 108 M 9.37 4.36 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 109 G 8.99 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 0.00 110 A 8.77 3.65 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 0.00 111 C 7.99 3.59 0.00 3.04 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 A 8.06 4.07 1.47 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 0.00 113 S 7.72 4.28 0.00 4.07 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 0.00 114 S 7.88 5.08 0.00 3.99 3.96 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 0.00 115 G 8.03 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 0.00 0.00 0.00 0.00 116 G 8.21 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 0.00 117 M 8.21 4.32 0.00 1.80 1.81 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.97 0.00 118 F 7.69 4.62 0.00 3.02 3.21 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 0.00 119 N 8.33 4.72 0.00 2.71 2.83 0.00 0.00 7.00 8.00 0.00 0.00 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 N 8.08 4.90 0.00 2.93 3.01 0.00 0.00 5.88 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 0.00 121 Y 9.18 4.24 0.00 3.16 3.15 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 0.00 122 A 6.88 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 123 I 6.71 4.79 1.82 0.00 0.00 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 1.00 0.47 0.94 0.00 0.00 124 V 7.86 3.92 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 0.75 0.00 0.00 0.98 0.00 0.00 125 Q 8.63 4.09 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.58 0.00 0.00 0.00 0.00 0.00 2.46 2.30 0.00 126 N 7.98 5.44 0.00 2.70 2.67 0.00 0.00 7.28 7.71 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 0.00 127 V 8.71 3.06 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 0.79 0.00 0.00 0.96 0.00 0.00 128 D 8.77 4.87 0.00 2.81 2.81 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 0.00 129 S 8.67 4.49 0.00 3.87 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 0.00 130 V 8.16 4.13 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 0.68 0.00 0.00 0.89 0.00 0.00 131 V 7.07 3.32 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 0.60 0.00 0.00 0.71 0.00 0.00 132 P 0.00 4.44 0.00 2.00 1.97 0.00 2.68 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 133 V 8.98 4.25 1.52 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 0.19 0.00 0.00 0.84 0.00 0.00 134 D 8.97 4.82 0.00 2.78 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 0.00 135 V 7.29 4.40 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.91 0.00 0.00 136 Y 9.11 5.22 0.00 2.86 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 0.00 137 V 8.79 4.47 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.99 0.00 0.00 138 P 0.00 4.77 0.00 2.09 2.18 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 139 G 7.52 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 0.00 0.00 0.00 0.00 140 C 7.78 5.72 0.00 2.92 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 0.00 141 P 0.00 4.82 0.00 2.21 2.02 0.00 3.82 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 1.92 1.93 0.00 142 P 0.00 4.36 0.00 2.21 2.20 0.00 3.81 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 143 R 8.59 3.94 0.00 1.88 2.15 0.00 3.14 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 144 P 0.00 4.21 0.00 2.15 2.12 0.00 3.63 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.38 0.00 145 E 8.39 4.05 0.00 2.04 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 2.41 2.49 0.00 146 A 8.01 3.96 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 0.00 147 L 8.38 4.08 0.00 1.65 1.89 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 148 I 7.83 3.65 2.08 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 0.30 0.93 0.00 0.00 149 Y 8.46 4.02 0.00 3.03 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 A 7.91 4.02 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 V 7.84 3.53 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 0.83 0.00 0.00 0.91 0.00 0.00 152 M 7.92 4.32 0.00 1.80 1.96 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.50 0.00 153 Q 7.36 3.59 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 154 L 7.57 3.93 0.00 1.71 1.61 0.51 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 155 Q 9.14 3.67 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.64 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 156 K 8.69 4.02 0.00 1.64 1.71 0.00 1.57 0.00 0.00 1.45 0.00 0.00 2.70 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.31 1.48 7.81 157 K 7.34 4.14 0.00 1.81 1.86 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 3.44 0.00 0.00 0.00 0.00 1.40 1.48 7.81 158 V 7.61 3.72 1.84 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 -0.31 0.00 0.00 0.74 0.00 0.00 159 R 7.68 4.11 0.00 1.81 2.03 0.00 3.04 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 160 G 8.20 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 Q 7.31 4.31 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.05 0.00 0.00 0.00 0.00 0.00 2.48 2.36 0.00 162 A 7.55 4.30 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 0.00 163 Y 7.02 4.73 0.00 3.45 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 0.00 164 N 8.85 4.83 0.00 2.70 2.86 0.00 0.00 6.98 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 0.00 165 E 8.33 3.83 0.00 2.01 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 2.39 2.26 0.00 166 R 8.93 3.87 0.00 1.83 1.99 0.00 3.44 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 167 G 9.05 4.07 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 0.00 0.00 0.00 168 E 7.71 4.41 0.00 2.02 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 2.28 2.33 0.00 169 R 8.30 4.23 0.00 1.76 1.90 0.00 3.41 0.00 0.00 3.37 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.48 0.00 170 L 8.60 4.61 0.00 1.91 1.68 1.02 1.17 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 0.00 171 P 0.00 4.57 0.00 2.25 2.12 0.00 3.83 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 172 P 0.00 4.72 0.00 2.27 2.44 0.00 3.75 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 173 V 7.61 4.42 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 0.61 0.00 0.00 0.94 0.00 0.00 174 A 8.83 4.41 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 A 8.80 4.15 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 * Residues marked with a * may have inaccurate shift predictions.