NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 F 4.8717 8.1676 115.8604 57.2229 40.1919 177.0971 11 H 4.0730 6.0337 117.0322 56.6956 28.8036 173.9254 12 E 3.9201 8.1980 120.7344 58.5208 30.4524 178.0916 13 M 4.5554 7.2984 116.4569 55.2281 31.9222 176.9059 14 R 4.5146 7.5567 117.7522 55.6676 32.5385 175.6049 15 E 4.0220 8.1178 117.5977 55.1900 29.8725 174.8164 16 P 4.1434 0.0000 0.0000 62.7215 32.6467 174.3738 17 R 4.2180 7.5148 115.1028 56.2070 33.2743 173.1832 18 I 4.4769 8.2344 119.9705 60.0284 37.8588 175.8543 19 E 4.1809 9.2974 130.1134 58.5693 29.9054 176.7997 20 K 4.6641 7.5160 115.7498 55.9406 36.0298 174.3540 21 V 4.5374 8.9289 122.2776 61.3684 33.9769 174.4114 22 V 4.5578 8.5216 129.7324 61.5120 33.1455 174.7164 23 V 4.6787 8.4942 122.4371 59.9419 33.7903 174.6459 24 H 5.1323 8.8065 123.5102 55.0396 33.9295 172.0813 25 M 4.5019 8.5368 124.1970 53.4173 34.1933 175.6251 26 G 3.4987 8.3430 112.6209 46.0948 0.0000 171.8916 27 I 3.8978 8.9851 128.9109 58.8619 37.5680 174.7685 28 G 3.2141 7.1923 113.4225 44.4246 0.0000 173.8006 29 H 5.6494 7.8183 127.2778 56.2620 30.9736 174.1825 *35 A 4.3861 7.2868 125.6357 52.0778 19.0068 179.9504 36 N 4.4114 9.3931 120.8177 56.1010 37.5234 175.5025 37 A 4.3504 7.7744 121.3323 52.8272 19.4425 178.8788 38 E 3.9438 8.3644 117.3059 59.4089 29.5258 178.6962 39 D 4.3852 8.2284 118.7123 57.5844 40.7584 179.0399 40 I 4.0212 7.4275 112.8206 63.9713 37.7508 178.2994 41 L 3.9917 7.9437 120.5038 57.4356 41.2408 179.4738 42 G 3.7082 8.4996 105.4885 46.8571 0.0000 175.1379 43 E 4.1487 7.2629 118.9686 58.6247 30.4583 178.0744 44 I 3.9776 8.5119 117.4146 63.1113 38.0762 176.8171 45 T 4.5459 8.0117 109.2075 61.7764 70.2872 175.3070 46 G 4.0723 8.1723 108.4577 44.6723 0.0000 172.9154 47 Q 4.6557 7.1155 114.5936 53.7190 31.6378 175.1230 48 M 3.9820 8.5695 118.7048 55.5381 32.3148 174.7619 49 P 4.8874 0.0000 0.0000 61.8557 33.8743 174.9529 50 V 4.5832 8.4306 112.4139 59.2415 35.3767 176.1719 51 R 4.5516 8.6146 121.9222 56.7410 31.3552 176.1628 52 T 4.5698 8.9307 117.8118 61.9711 71.4618 173.7402 53 K 5.0214 9.0226 125.2455 54.3809 34.4355 175.4051 54 A 4.8403 7.8517 123.3217 50.2792 21.9684 175.3120 55 K 4.6091 7.9029 116.5850 55.4213 36.5131 173.0831 56 R 3.9105 8.7664 127.4522 55.6240 30.2260 177.0150 57 T 4.1118 8.3322 118.1430 63.7099 69.4299 173.9514 58 V 4.4491 8.5473 123.0505 60.9042 34.7300 176.1539 59 G 3.8431 9.2242 117.0151 48.8772 0.0000 174.3294 60 E 4.0502 8.3305 118.9248 59.0566 27.3845 177.7000 61 F 4.1734 7.4650 130.7218 60.5676 38.3486 175.8472 62 D 4.7964 8.3375 125.8643 53.0604 41.4156 175.4514 63 I 4.1252 7.5992 110.8799 61.0410 38.9516 176.2216 64 R 4.1963 7.6020 122.3280 54.8706 29.1777 174.8565 65 E 3.8050 8.1620 128.4020 58.6062 30.2497 175.7868 66 G 4.2004 7.7828 111.5694 46.1352 0.0000 171.9030 67 D 4.7979 8.6009 127.0277 51.8885 41.5717 174.1471 68 P 4.4338 0.0000 0.0000 63.9560 31.5544 176.1261 69 I 4.6277 8.6166 120.4766 61.5752 43.3539 174.2425 70 G 4.2642 7.8537 107.6656 46.2630 0.0000 171.7551 71 A 5.8001 8.2634 118.5594 51.3984 23.0644 175.4902 72 K 4.9544 8.2762 116.9854 56.0116 36.6579 174.9444 73 V 4.5887 8.9968 120.8452 61.5338 34.8394 173.6840 74 T 4.8423 8.5639 118.4819 60.1857 70.2070 173.7634 75 L 4.8020 8.8926 126.8915 52.9922 44.3990 175.8777 76 R 4.8326 7.9037 119.6143 54.6246 34.4174 176.9042 77 D 4.2102 8.9119 119.8871 55.6044 39.3362 176.1266 78 E 3.9309 8.9942 123.8876 61.0696 28.8030 178.3243 79 M 3.8978 8.2141 117.6910 58.7059 32.0200 178.8005 80 A 4.0377 7.9148 119.9099 55.3533 18.6727 179.4677 81 E 4.0112 8.0672 116.7857 59.5869 29.3839 179.4190 82 E 3.9710 8.7657 117.8141 58.7482 29.7434 179.0152 83 F 4.3327 7.8450 120.2756 61.2391 39.6999 177.4890 84 L 4.0543 8.1671 118.4914 57.6456 41.0951 179.4404 85 Q 3.8538 7.9841 117.9436 58.9768 28.8589 178.5049 86 T 4.2208 7.5950 106.0046 62.0191 69.6997 175.3158 87 A 4.2676 7.2702 123.8222 54.2350 19.9393 178.9307 88 L 3.6275 8.1368 117.7822 57.6038 41.5091 178.0804 89 P 4.2482 0.0000 0.0000 64.9330 31.3355 177.7087 90 L 4.2910 7.7575 115.8176 54.6182 41.9724 175.7988 91 A 4.8412 7.5191 121.3443 50.2891 21.9071 176.4123 92 E 4.5672 8.1003 118.0358 53.4879 29.7086 175.8161 93 L 4.2060 8.0970 119.9337 54.3696 42.8431 176.7090 94 A 5.0690 8.1896 121.9334 50.0788 22.4295 177.2151 95 T 3.8067 8.7753 117.1744 66.8239 68.9711 176.1782 96 S 4.3283 8.2603 115.4122 61.5613 63.4174 175.9737 97 Q 4.2249 8.3270 116.4073 56.7603 28.2715 175.4891 98 F 5.0770 8.0896 117.2690 55.4877 41.1065 175.8296 99 D 4.7122 10.2416 123.4915 54.3416 42.2041 175.1984 100 D 4.8055 8.5955 117.1410 54.9614 41.5280 177.2228 101 T 4.3867 7.9234 114.1178 63.1786 69.2630 175.0188 102 G 4.0833 8.5195 109.3332 45.9778 0.0000 172.9796 103 N 5.1669 8.1656 115.4964 51.1866 41.6092 173.6316 104 F 5.1046 7.7457 113.8137 55.7603 41.4368 173.1637 105 S 5.0138 8.6647 114.9551 56.6539 66.1650 172.3132 106 F 4.8587 8.7528 120.4747 55.9216 41.4951 174.8281 107 G 4.1110 8.6997 104.1132 45.5223 0.0000 173.3909 *128 L 3.9933 8.2384 123.5454 55.1937 43.5281 176.8119 129 D 4.8813 8.7982 126.8888 53.3605 43.3138 176.4417 130 V 4.2601 8.2389 120.5573 61.7407 34.5484 173.9551 131 T 4.6397 8.6457 125.4819 60.7626 71.0064 173.7399 132 V 4.3707 7.9451 125.9817 61.0108 34.1040 173.6577 133 N 4.8913 9.0193 128.0538 52.1925 40.1109 173.3813 134 L 5.2202 8.1246 126.3064 53.4322 44.1006 175.9771 135 V 4.1585 7.7196 119.4735 61.2313 35.0536 172.2861 136 R 3.7700 8.5472 120.0857 55.1687 31.0992 174.6472 137 P 3.6326 0.0000 0.0000 67.0163 32.2916 178.6372 138 G 4.1353 8.0526 108.6603 45.4233 0.0000 174.9947 139 Y 4.1898 8.9387 123.7006 60.3098 38.8273 176.5394 140 R 3.7710 8.2377 119.2982 59.7220 29.8615 177.9320 141 V 3.7154 7.6420 117.0904 65.1559 31.1290 176.7116 142 A 4.7408 7.7571 119.2044 50.9567 19.9261 176.8486 143 K 4.2602 7.8908 115.7050 55.7966 33.4849 176.8080 144 R 4.3166 7.5091 115.2500 55.3129 30.7975 176.6243 145 D 4.4143 8.5468 118.3743 57.3276 40.8429 177.6114 146 K 4.0950 7.9585 118.2121 57.1604 32.8803 176.8833 147 A 3.5574 8.5714 123.4355 52.5890 16.2562 177.1249 148 S 4.5133 7.2433 113.3202 60.4830 64.1624 173.3257 149 R 4.6313 9.1930 120.2627 55.1363 33.7559 173.8502 150 S 4.5768 8.4809 118.0996 57.7216 63.5364 173.6891 151 I 3.9772 8.2112 127.0020 60.1552 37.6591 174.4227 152 P 4.3963 0.0000 0.0000 62.7780 32.0550 177.3687 153 T 3.9043 8.6950 112.2451 65.2182 68.0575 176.6858 154 K 4.0154 8.0679 119.9727 59.1016 32.2396 177.5904 155 H 4.5666 8.0923 115.7527 55.5928 30.4871 175.3823 156 R 4.1595 7.2482 119.7302 56.2950 30.5953 176.3840 157 L 4.1762 8.3323 123.5670 55.1058 43.0878 176.1615 158 N 5.1705 8.2490 119.6968 50.4956 42.9440 174.1424 159 P 4.3424 0.0000 0.0000 65.7066 31.4781 178.8437 160 A 3.8760 7.9290 118.9277 55.5187 18.5507 179.3423 161 D 4.3794 8.1496 116.4345 57.2491 40.8374 178.8449 162 A 4.1297 8.5881 121.8468 55.1588 18.5193 179.4673 163 V 3.1882 8.1310 116.5473 66.8329 31.4586 177.1862 164 A 3.9309 8.4167 119.1652 54.2858 17.6367 179.6624 165 F 3.9483 7.9865 120.2823 60.7831 40.6260 177.9778 166 I 3.5671 8.1524 119.6499 64.2396 36.7525 177.7970 167 E 4.7687 8.4200 122.0566 58.8144 29.3631 178.7221 168 S 4.6390 8.1810 110.1870 57.7519 62.8719 174.6674 169 T 4.3623 8.2030 116.2980 63.7133 70.9991 172.7428 170 Y 3.3353 8.2262 127.9012 57.2094 34.9761 168.3367 171 D 4.3924 6.5811 119.1849 53.7292 41.1627 175.4856 172 V 4.5320 7.7560 118.9835 60.9785 34.9563 175.4808 173 E 4.5009 8.4791 123.1443 57.5056 28.4070 176.3295 174 V 3.6513 7.5414 116.3121 61.8081 31.9584 175.1879 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 10 F 8.17 4.87 0.00 3.32 3.43 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 11 H 6.03 4.07 0.00 3.15 2.50 0.00 5.46 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 12 E 8.20 3.92 0.00 1.63 1.82 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 2.21 2.20 0.00 13 M 7.30 4.56 0.00 2.20 2.07 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 2.59 2.62 0.00 14 R 7.56 4.51 0.00 1.98 1.94 0.00 3.36 0.00 0.00 3.37 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 15 E 8.12 4.02 0.00 2.21 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 2.43 2.26 0.00 16 P 0.00 4.14 0.00 0.72 1.57 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.98 0.00 17 R 7.51 4.22 0.00 1.79 1.90 0.00 2.72 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 18 I 8.23 4.48 1.94 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 1.35 0.84 0.95 0.00 0.00 19 E 9.30 4.18 0.00 1.68 1.95 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 2.28 2.24 0.00 20 K 7.52 4.66 0.00 1.76 1.80 0.00 1.45 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.29 1.32 7.81 21 V 8.93 4.54 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 0.91 0.00 0.00 0.98 0.00 0.00 22 V 8.52 4.56 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 0.89 0.00 0.00 0.84 0.00 0.00 23 V 8.49 4.68 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 -0.15 0.00 0.00 0.74 0.00 0.00 24 H 8.81 5.13 0.00 3.20 2.97 0.00 5.53 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 25 M 8.54 4.50 0.00 1.90 1.86 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 26 G 8.34 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 0.00 0.00 0.00 27 I 8.99 3.90 1.74 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.70 0.68 0.00 0.00 28 G 7.19 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 0.00 0.00 0.00 29 H 7.82 5.65 0.00 3.27 3.41 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *35 A 7.29 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 N 9.39 4.41 0.00 2.84 2.96 0.00 0.00 5.86 7.26 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 37 A 7.77 4.35 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 38 E 8.36 3.94 0.00 2.02 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 2.30 2.59 0.00 39 D 8.23 4.39 0.00 2.68 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 40 I 7.43 4.02 1.88 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 1.73 0.82 0.91 0.00 0.00 41 L 7.94 3.99 0.00 1.85 1.71 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.50 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 43 E 7.26 4.15 0.00 2.24 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 2.65 0.00 44 I 8.51 3.98 1.96 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.88 1.07 0.00 0.00 45 T 8.01 4.55 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 0.83 0.00 0.00 46 G 8.17 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 47 Q 7.12 4.66 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 48 M 8.57 3.98 0.00 2.01 2.05 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 2.59 2.53 0.00 49 P 0.00 4.89 0.00 2.03 2.01 0.00 3.68 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 2.06 2.11 0.00 50 V 8.43 4.58 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 0.69 0.00 0.00 0.98 0.00 0.00 51 R 8.61 4.55 0.00 1.68 1.85 0.00 3.29 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 52 T 8.93 4.57 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 53 K 9.02 5.02 0.00 1.62 1.71 0.00 1.74 0.00 0.00 1.50 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.25 7.81 54 A 7.85 4.84 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 55 K 7.90 4.61 0.00 1.59 1.67 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.43 7.81 56 R 8.77 3.91 0.00 1.97 1.96 0.00 3.21 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 57 T 8.33 4.11 4.26 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 1.24 0.00 0.00 58 V 8.55 4.45 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 1.03 0.00 0.00 1.06 0.00 0.00 59 G 9.22 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.33 4.05 0.00 2.14 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 0.00 2.32 2.35 0.00 61 F 7.46 4.17 0.00 3.01 3.36 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 62 D 8.34 4.80 0.00 2.94 2.51 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 63 I 7.60 4.13 1.93 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.78 1.03 0.00 0.00 64 R 7.60 4.20 0.00 1.73 1.98 0.00 3.19 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.57 0.00 65 E 8.16 3.80 0.00 2.04 1.79 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 2.37 2.31 0.00 66 G 7.78 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.60 4.80 0.00 2.71 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 68 P 0.00 4.43 0.00 1.93 2.06 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 69 I 8.62 4.63 1.99 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 1.14 0.66 0.89 0.00 0.00 70 G 7.85 4.26 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 0.00 71 A 8.26 5.80 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.28 4.95 0.00 1.84 1.89 0.00 1.40 0.00 0.00 1.69 0.00 0.00 2.75 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.39 7.81 73 V 9.00 4.59 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 0.90 0.00 0.00 0.84 0.00 0.00 74 T 8.56 4.84 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 75 L 8.89 4.80 0.00 1.45 1.61 0.68 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 76 R 7.90 4.83 0.00 1.61 1.76 0.00 3.34 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 1.76 1.61 0.00 77 D 8.91 4.21 0.00 2.87 2.27 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 78 E 8.99 3.93 0.00 2.02 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 2.41 2.42 0.00 79 M 8.21 3.90 0.00 2.01 2.28 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 2.70 2.60 0.00 80 A 7.91 4.04 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 81 E 8.07 4.01 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 82 E 8.77 3.97 0.00 1.95 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 2.35 2.50 0.00 83 F 7.84 4.33 0.00 3.28 3.29 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 84 L 8.17 4.05 0.00 1.82 1.80 1.09 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 7.98 3.85 0.00 1.93 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.83 0.00 0.00 0.00 0.00 0.00 2.14 2.53 0.00 86 T 7.60 4.22 4.14 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 1.16 0.00 0.00 87 A 7.27 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.14 3.63 0.00 1.72 1.65 1.01 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.25 0.00 1.99 2.11 0.00 3.49 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.18 0.00 90 L 7.76 4.29 0.00 1.77 1.75 0.95 0.58 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 91 A 7.52 4.84 0.83 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 0.00 0.00 0.00 0.00 0.00 92 E 8.10 4.57 0.00 1.92 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 2.17 2.27 0.00 93 L 8.10 4.21 0.00 1.57 1.65 0.64 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.19 5.07 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 8.78 3.81 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 1.16 0.00 0.00 96 S 8.26 4.33 0.00 4.06 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Q 8.33 4.22 0.00 2.49 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.80 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 98 F 8.09 5.08 0.00 3.21 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 99 D 10.24 4.71 0.00 2.74 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 0.00 100 D 8.60 4.81 0.00 2.72 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 0.00 101 T 7.92 4.39 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 1.24 0.00 0.00 102 G 8.52 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 0.00 103 N 8.17 5.17 0.00 2.78 2.64 0.00 0.00 6.52 8.13 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 0.00 104 F 7.75 5.10 0.00 2.31 1.65 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 0.00 105 S 8.66 5.01 0.00 3.71 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 0.00 106 F 8.75 4.86 0.00 3.14 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 0.00 107 G 8.70 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 *128 L 8.24 3.99 0.00 1.76 1.64 0.96 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.80 4.88 0.00 2.63 2.47 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 0.00 130 V 8.24 4.26 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 0.89 0.00 0.00 0.82 0.00 0.00 131 T 8.65 4.64 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 1.04 0.00 0.00 132 V 7.95 4.37 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 0.93 0.00 0.00 0.76 0.00 0.00 133 N 9.02 4.89 0.00 2.70 2.56 0.00 0.00 6.64 6.80 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 0.00 134 L 8.12 5.22 0.00 1.69 1.53 1.33 1.15 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 0.00 135 V 7.72 4.16 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.65 0.00 0.00 136 R 8.55 3.77 0.00 1.62 1.80 0.00 3.14 0.00 0.00 2.97 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 137 P 0.00 3.63 0.00 2.22 1.95 0.00 3.70 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 2.10 2.12 0.00 138 G 8.05 4.14 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 0.00 139 Y 8.94 4.19 0.00 3.17 3.01 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 0.00 140 R 8.24 3.77 0.00 1.93 1.96 0.00 3.26 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 141 V 7.64 3.72 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 0.91 0.00 0.00 0.98 0.00 0.00 142 A 7.76 4.74 1.04 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 0.00 0.00 143 K 7.89 4.26 0.00 1.57 1.77 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.81 1.43 7.81 144 R 7.51 4.32 0.00 1.89 1.89 0.00 3.00 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 145 D 8.55 4.41 0.00 2.67 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 0.00 146 K 7.96 4.10 0.00 1.80 1.70 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.42 7.81 147 A 8.57 3.56 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 0.00 148 S 7.24 4.51 0.00 3.95 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 0.00 149 R 9.19 4.63 0.00 1.83 1.71 0.00 3.12 0.00 0.00 3.07 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 150 S 8.48 4.58 0.00 3.91 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 I 8.21 3.98 1.96 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 1.38 1.07 1.03 0.00 0.00 152 P 0.00 4.40 0.00 2.20 2.00 0.00 3.63 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 153 T 8.70 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 1.23 0.00 0.00 154 K 8.07 4.02 0.00 1.77 1.96 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.58 7.81 155 H 8.09 4.57 0.00 3.13 3.37 0.00 5.95 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 7.25 4.16 0.00 2.13 1.88 0.00 3.44 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.75 0.00 157 L 8.33 4.18 0.00 1.54 1.81 0.90 0.99 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 0.00 158 N 8.25 5.17 0.00 2.95 2.68 0.00 0.00 6.91 8.03 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 0.00 159 P 0.00 4.34 0.00 2.16 2.16 0.00 3.63 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.38 0.00 160 A 7.93 3.88 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 0.00 161 D 8.15 4.38 0.00 2.95 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 0.00 162 A 8.59 4.13 1.71 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 0.00 163 V 8.13 3.19 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 0.79 0.00 0.00 0.01 0.00 0.00 164 A 8.42 3.93 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.99 3.95 0.00 3.09 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 0.00 166 I 8.15 3.57 1.90 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.03 0.92 0.00 0.00 167 E 8.42 4.77 0.00 1.90 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 2.28 2.30 0.00 168 S 8.18 4.64 0.00 3.85 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 0.00 169 T 8.20 4.36 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 170 Y 8.23 3.34 0.00 2.99 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 0.00 171 D 6.58 4.39 0.00 2.91 2.83 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 0.00 0.00 0.00 172 V 7.76 4.53 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.89 0.00 0.00 173 E 8.48 4.50 0.00 2.00 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 2.25 2.23 0.00 174 V 7.54 3.65 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 0.92 0.00 0.00 0.88 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.