NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 25 G 3.9061 8.3393 109.7364 45.1608 0.0000 174.2088 26 D 4.5322 7.6270 122.8764 51.0673 39.4624 175.5494 27 K 4.3067 8.3714 119.1667 55.7146 34.7394 177.0081 28 P 4.7208 0.0000 0.0000 62.9542 32.5176 175.4586 29 R 5.4553 8.6799 121.2140 55.1245 35.0356 173.7993 30 A 4.5256 9.0942 123.9163 50.4745 23.3330 174.3735 31 H 4.7736 7.3311 120.3118 54.2023 32.6348 172.4382 32 L 5.0638 8.6913 126.3970 53.0040 44.8051 175.6690 33 T 5.3618 8.6737 111.6592 59.5414 72.3350 173.7937 34 V 4.1257 8.5323 122.3189 62.1185 32.2714 175.5712 35 V 4.5531 7.7388 113.9997 59.0088 35.7080 175.3762 36 R 3.1314 8.3101 121.1712 56.5719 30.1830 175.8701 37 Q 4.0519 7.8932 124.0825 55.0939 29.7810 175.3663 38 T 4.2409 8.4337 112.7974 59.7459 70.0281 172.9645 39 P 4.4248 0.0000 0.0000 63.4762 33.4054 173.6215 40 T 4.4270 7.9125 115.7810 62.1236 68.2643 176.5079 *46 Q 3.9539 9.0852 123.5409 55.6071 29.0650 173.5276 47 F 4.9701 8.7456 125.6917 56.1041 39.4487 174.2018 48 P 4.5517 0.0000 0.0000 62.5909 32.6254 175.4268 49 A 4.8091 8.3466 123.2352 51.5201 19.4339 177.4297 50 L 4.2344 8.5945 122.1686 54.6122 42.4541 176.3224 51 H 5.0381 8.5662 116.8524 53.5140 31.1774 173.3314 52 W 5.0977 8.7315 119.4215 54.5051 32.9224 175.0616 53 E 4.2714 9.3219 122.7219 56.5762 29.4927 176.8866 54 H 4.9647 8.9404 118.7128 54.9225 29.9859 174.3412 55 E 4.5700 8.2040 114.5028 56.3288 32.2322 175.6867 56 L 4.4468 8.6698 119.7999 54.5211 43.8062 178.2099 57 G 3.8364 8.1579 109.8095 47.3379 0.0000 176.1283 58 L 4.2544 9.8768 124.8428 55.5794 41.7758 176.7386 59 A 4.7279 7.7305 121.3306 51.8812 19.4551 176.7891 60 F 5.2551 8.8853 114.9164 56.7268 41.7386 173.0950 61 T 5.2516 8.4922 109.2193 60.2775 72.0384 172.7366 62 K 4.5120 9.3182 121.2419 55.9028 36.4507 174.4788 63 N 4.4141 9.7706 114.6185 54.6224 35.9686 176.3396 64 R 4.2036 8.3004 114.8558 55.8311 28.3896 176.6993 65 M 4.1603 7.6583 118.1950 55.8970 33.0111 174.9142 66 N 4.9230 8.6583 123.0465 51.9744 41.9719 172.5398 67 Y 5.0439 8.7683 128.7886 56.8918 39.5000 174.6258 68 T 4.1817 8.4904 122.0473 61.3258 70.4585 173.2187 69 N 4.0586 9.3971 127.1320 54.7761 37.2677 174.7306 70 K 4.1947 7.8242 113.2861 56.1452 30.3039 176.0890 71 F 5.3018 7.6670 118.4357 55.5687 41.8509 174.6439 72 L 4.8015 9.0747 125.2963 54.5917 42.9701 175.0547 73 L 4.8337 9.0380 129.9080 53.7099 43.8764 175.2957 74 I 4.1899 8.6171 129.0072 60.3295 37.6316 175.1087 75 P 4.6341 0.0000 0.0000 63.4446 32.1037 175.6906 76 E 4.6899 7.5438 120.1342 54.9031 32.8523 174.6512 77 S 4.5097 8.9310 122.8471 57.8476 63.7513 173.8846 78 G 4.0080 8.2014 110.7292 46.7643 0.0000 170.3636 79 D 5.5301 7.8798 119.3039 53.2836 42.5931 175.6746 80 Y 5.0061 9.1894 121.2741 56.0370 41.5964 174.4745 81 F 4.7834 8.4857 125.7898 57.4272 40.9123 174.5557 82 I 4.9555 7.9851 126.8234 59.9955 40.7001 174.0019 83 Y 5.1826 8.2573 120.4802 56.7760 41.5897 173.1811 84 S 5.0853 8.8237 114.4445 57.3428 66.6114 172.6389 85 Q 4.9434 7.9297 126.6122 54.1060 31.9876 174.0834 86 V 4.4437 8.4441 125.6668 61.3046 34.3879 174.2544 87 T 4.8197 8.4650 125.5081 63.0546 69.7711 173.9690 88 F 5.3269 9.8735 126.0917 56.0448 41.6122 175.1844 89 R 4.4339 8.8247 118.0341 54.2701 32.4215 175.1703 90 G 2.8682 7.3147 109.0411 46.0315 0.0000 172.6964 91 M 2.9724 8.0099 118.4911 55.7651 28.4453 176.4850 *106 K 4.3740 7.8990 121.8898 55.5539 34.5255 174.3614 107 P 4.4763 0.0000 0.0000 62.7650 31.9910 176.0087 108 D 4.4706 8.6254 120.5077 56.5492 41.3733 175.8578 109 S 5.0662 7.3061 111.2543 57.3345 65.7776 174.0394 110 I 4.4182 8.3978 113.6645 59.3281 40.8243 174.5240 111 T 5.0537 8.2717 120.2166 61.9448 72.9481 172.8131 112 V 4.9507 9.0254 125.9803 61.1583 34.5299 174.4369 113 V 4.9240 8.8647 126.6722 61.2609 35.0051 173.8340 114 I 4.7705 8.6673 128.5943 60.0390 39.2373 174.8243 115 T 4.9719 8.9070 123.2077 61.5222 72.6074 172.6379 116 K 4.9044 9.0407 126.3573 54.6539 34.8521 174.7623 117 V 4.6723 8.8687 127.4928 61.4486 33.5072 174.3368 118 T 4.7354 8.2498 123.4795 61.7286 71.1855 175.2016 119 D 4.2037 8.7515 124.8777 57.5286 41.2260 178.3374 120 S 4.2807 7.9745 112.4460 61.0686 63.4108 174.2508 121 Y 4.6939 7.3014 118.5032 56.3231 38.5164 173.8391 122 P 4.3766 0.0000 0.0000 65.5551 31.7787 176.7101 123 E 4.3959 7.7730 117.6763 54.0366 30.5317 174.3462 124 P 4.6713 0.0000 0.0000 63.2690 32.7234 175.4470 125 T 4.5893 8.8167 118.7028 61.8715 70.8747 173.6958 126 Q 4.3288 8.6798 126.1069 56.0433 28.7193 175.8228 127 L 4.1164 8.6091 125.1873 56.5163 42.8334 177.7319 128 L 4.8237 7.4646 117.3693 53.4157 46.2898 174.9930 129 M 5.1298 8.7931 122.4408 53.7718 35.4894 174.1505 130 G 4.2225 9.4058 113.5876 44.7186 0.0000 171.6710 131 T 5.1939 8.5366 119.9212 60.0713 70.6206 172.8216 132 K 4.6977 8.9420 129.3277 54.4003 35.7414 175.3761 133 S 4.6606 8.7465 122.2868 58.2162 64.1208 173.5264 134 V 3.8375 8.0166 122.9607 60.6313 32.0853 175.6624 135 S 4.2857 7.9120 122.0736 60.4576 63.4762 174.7546 136 E 4.0950 7.6262 117.3825 55.8325 30.1424 176.7543 137 V 4.1602 7.9092 121.5072 60.9030 34.8536 176.8725 138 G 4.1708 9.6657 110.5431 44.6338 0.0000 175.5336 139 S 4.6680 9.1848 116.8203 57.1058 66.7257 171.7518 140 N 4.7411 8.4119 117.5871 51.7118 36.7408 174.9191 141 W 4.4956 7.5110 116.2805 57.6253 30.0405 176.4694 142 F 5.6559 7.8621 115.0553 56.0873 40.5075 173.3292 143 Q 4.9631 9.8021 116.6399 55.1091 31.9497 171.1205 144 P 5.3864 0.0000 0.0000 62.0737 33.5960 174.8278 145 I 4.6539 9.0492 123.0325 59.8704 39.7774 173.7536 146 Y 5.2030 8.8501 128.0928 55.8391 41.0900 174.6765 147 L 4.8784 7.9435 124.9665 53.3778 46.5528 175.4849 148 G 4.3932 8.5468 106.6811 45.6387 0.0000 171.9547 149 A 4.4694 7.8161 123.9320 51.3514 23.5576 174.3321 150 M 4.9320 8.1619 118.9348 54.3110 33.7286 175.2486 151 F 4.8892 9.0304 123.4119 55.7929 44.0559 173.9339 152 S 5.0793 8.9097 118.4487 58.2326 63.3912 173.5819 153 L 4.9134 9.4173 125.0148 53.0044 45.3928 175.7304 154 Q 4.7769 9.2042 120.3147 53.6606 30.6819 175.2109 155 E 4.1211 8.7259 122.6582 58.3146 29.9333 177.6475 156 G 3.9673 9.1388 114.2195 45.3268 0.0000 173.6529 157 D 4.6403 8.0084 120.0010 54.4598 42.3345 175.5590 158 K 5.0072 8.8464 120.2741 54.6279 35.8037 175.0806 159 L 5.4626 9.1086 124.9251 53.3062 44.3539 175.4777 160 M 5.2343 9.1827 119.6346 53.7002 35.6407 173.7969 161 V 4.5503 8.1526 118.8685 61.2303 34.0258 173.8741 162 N 5.5437 9.2840 125.4498 51.6949 41.4110 174.2065 163 V 4.9664 8.2007 114.7656 59.3845 34.8665 176.2266 164 S 2.7900 8.1553 117.7768 60.5920 63.9906 174.0701 165 D 4.4212 7.8166 120.1379 52.6105 42.7141 175.1882 166 I 3.6942 8.4544 129.3914 64.2898 37.3028 178.6784 167 S 4.2915 8.1334 113.6227 60.1686 63.2620 174.8505 168 L 4.4257 7.8337 120.2631 55.0738 42.0123 176.4813 169 V 3.6785 7.3526 119.9220 62.2062 31.7920 174.8074 170 D 4.2664 8.8725 128.3561 54.0333 40.8601 175.1313 171 Y 4.6337 7.5026 123.8904 56.7916 38.5742 176.7533 172 T 3.9439 7.8486 112.1063 64.0845 69.5307 175.0589 173 K 4.6734 7.5833 120.9479 54.3826 36.0222 176.8638 174 E 4.2277 8.9741 121.2838 58.6600 29.7348 177.2820 175 D 4.7857 8.1252 117.2398 53.8184 40.2341 176.8431 176 K 4.5431 8.0215 118.4385 57.5633 33.7184 176.7766 177 T 4.8697 7.7561 115.2141 61.8595 72.7367 173.1808 178 F 5.4158 8.9490 120.3179 56.6397 42.1657 172.8892 179 F 5.0585 8.6773 120.7818 57.2849 42.8279 173.1284 180 G 3.6798 8.3189 112.3970 44.8636 0.0000 170.8532 181 A 5.2796 8.4345 119.8899 50.7103 23.1958 175.5926 182 F 5.5548 8.8907 116.0177 54.8962 41.8187 173.7444 183 L 3.5845 8.5927 124.6841 54.7009 42.5279 176.8716 184 L 4.3273 8.3862 125.5613 55.1945 41.5500 176.7694 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 25 G 8.34 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 0.00 0.00 0.00 26 D 7.63 4.53 0.00 2.90 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 27 K 8.37 4.31 0.00 1.82 1.79 0.00 1.80 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.47 7.81 28 P 0.00 4.72 0.00 2.39 2.18 0.00 3.90 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.21 0.00 29 R 8.68 5.46 0.00 2.00 2.12 0.00 3.21 0.00 0.00 3.44 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.97 0.00 30 A 9.09 4.53 0.97 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 0.00 0.00 0.00 0.00 0.00 31 H 7.33 4.77 0.00 3.03 2.71 0.00 5.74 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.69 5.06 0.00 0.86 1.29 0.22 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.67 5.36 4.41 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 1.31 0.00 0.00 34 V 8.53 4.13 2.33 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 0.78 0.00 0.00 0.78 0.00 0.00 35 V 7.74 4.55 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 0.77 0.00 0.00 0.83 0.00 0.00 36 R 8.31 3.13 0.00 1.21 1.55 0.00 3.01 0.00 0.00 2.99 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.53 0.00 37 Q 7.89 4.05 0.00 1.88 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.63 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 38 T 8.43 4.24 4.19 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 1.16 0.00 0.00 39 P 0.00 4.42 0.00 2.02 2.00 0.00 3.59 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 40 T 7.91 4.43 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 1.18 0.00 0.00 *46 Q 9.09 3.95 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 47 F 8.75 4.97 0.00 2.83 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 48 P 0.00 4.55 0.00 2.07 2.30 0.00 3.94 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.95 0.00 49 A 8.35 4.81 1.16 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 0.00 0.00 50 L 8.59 4.23 0.00 1.15 0.50 0.58 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 51 H 8.57 5.04 0.00 3.25 3.21 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 W 8.73 5.10 0.00 2.65 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 53 E 9.32 4.27 0.00 2.09 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 2.37 2.34 0.00 54 H 8.94 4.96 0.00 3.28 3.26 0.00 5.45 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.20 4.57 0.00 1.99 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 2.18 2.29 0.00 56 L 8.67 4.45 0.00 1.76 1.65 0.97 1.03 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 57 G 8.16 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 58 L 9.88 4.25 0.00 1.70 1.83 0.95 0.82 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 59 A 7.73 4.73 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 60 F 8.89 5.26 0.00 3.12 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 61 T 8.49 5.25 4.48 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 1.27 0.00 0.00 62 K 9.32 4.51 0.00 1.91 2.06 0.00 1.35 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.82 1.54 7.81 63 N 9.77 4.41 0.00 3.04 3.08 0.00 0.00 6.99 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 64 R 8.30 4.20 0.00 2.00 2.30 0.00 3.25 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 65 M 7.66 4.16 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.53 0.00 66 N 8.66 4.92 0.00 2.84 2.65 0.00 0.00 6.46 7.44 0.00 0.00 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 Y 8.77 5.04 0.00 3.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.49 4.18 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 1.21 0.00 0.00 69 N 9.40 4.06 0.00 2.85 2.98 0.00 0.00 7.29 6.68 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 70 K 7.82 4.19 0.00 1.57 1.91 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.29 1.31 7.81 71 F 7.67 5.30 0.00 3.11 2.92 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 72 L 9.07 4.80 0.00 1.85 1.55 0.88 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 73 L 9.04 4.83 0.00 1.77 1.70 0.84 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 74 I 8.62 4.19 1.78 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.26 0.67 0.00 0.00 75 P 0.00 4.63 0.00 2.23 2.37 0.00 3.87 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 76 E 7.54 4.69 0.00 2.17 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 2.29 2.33 0.00 77 S 8.93 4.51 0.00 3.94 3.83 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 78 G 8.20 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.88 5.53 0.00 2.60 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 80 Y 9.19 5.01 0.00 2.82 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 81 F 8.49 4.78 0.00 2.82 1.55 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.99 4.96 1.88 0.00 0.00 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 1.29 0.74 0.92 0.00 0.00 83 Y 8.26 5.18 0.00 3.17 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 84 S 8.82 5.09 0.00 3.80 3.56 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 85 Q 7.93 4.94 0.00 2.18 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.52 0.00 0.00 0.00 0.00 0.00 2.24 2.47 0.00 86 V 8.44 4.44 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 0.12 0.00 0.00 0.88 0.00 0.00 87 T 8.46 4.82 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 1.28 0.00 0.00 88 F 9.87 5.33 0.00 3.33 3.22 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 0.00 89 R 8.82 4.43 0.00 1.47 1.73 0.00 2.86 0.00 0.00 2.99 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.37 0.00 90 G 7.31 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 0.00 0.00 0.00 91 M 8.01 2.97 0.00 2.15 2.07 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 2.58 2.50 0.00 *106 K 7.90 4.37 0.00 1.79 1.93 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.47 7.81 107 P 0.00 4.48 0.00 2.23 2.11 0.00 3.97 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.30 0.00 108 D 8.63 4.47 0.00 2.70 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 0.00 109 S 7.31 5.07 0.00 3.85 3.72 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 0.00 110 I 8.40 4.42 0.56 0.00 0.00 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 0.85 0.56 0.71 0.00 0.00 111 T 8.27 5.05 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 112 V 9.03 4.95 2.16 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 1.00 0.00 0.00 1.21 0.00 0.00 113 V 8.86 4.92 2.20 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 0.98 0.00 0.00 1.13 0.00 0.00 114 I 8.67 4.77 1.76 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.42 0.81 0.00 0.00 115 T 8.91 4.97 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 1.27 0.00 0.00 116 K 9.04 4.90 0.00 1.64 1.55 0.00 1.70 0.00 0.00 1.48 0.00 0.00 2.75 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.27 1.26 7.81 117 V 8.87 4.67 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.02 0.00 0.00 118 T 8.25 4.74 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 1.07 0.00 0.00 119 D 8.75 4.20 0.00 2.61 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 0.00 120 S 7.97 4.28 0.00 4.02 3.97 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 0.00 0.00 0.00 121 Y 7.30 4.69 0.00 2.70 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 0.00 122 P 0.00 4.38 0.00 2.14 2.16 0.00 3.63 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.92 0.00 123 E 7.77 4.40 0.00 1.85 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 2.22 2.31 0.00 124 P 0.00 4.67 0.00 2.08 2.08 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 125 T 8.82 4.59 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 126 Q 8.68 4.33 0.00 1.91 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.97 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 127 L 8.61 4.12 0.00 1.09 0.13 0.33 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 128 L 7.46 4.82 0.00 1.51 1.52 1.02 0.95 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 0.00 129 M 8.79 5.13 0.00 1.99 1.91 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.56 0.00 130 G 9.41 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 0.00 0.00 0.00 0.00 131 T 8.54 5.19 4.28 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 1.22 0.00 0.00 132 K 8.94 4.70 0.00 1.74 1.42 0.00 1.66 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.18 1.28 7.81 133 S 8.75 4.66 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 0.00 134 V 8.02 3.84 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 0.44 0.00 0.00 0.13 0.00 0.00 135 S 7.91 4.29 0.00 3.63 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 E 7.63 4.10 0.00 2.06 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 137 V 7.91 4.16 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 0.75 0.00 0.00 0.95 0.00 0.00 138 G 9.67 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 0.00 0.00 0.00 0.00 139 S 9.18 4.67 0.00 4.14 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 0.00 140 N 8.41 4.74 0.00 2.90 2.85 0.00 0.00 5.96 8.88 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 0.00 141 W 7.51 4.50 0.00 3.25 3.22 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 0.00 142 F 7.86 5.66 0.00 3.09 2.91 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 0.00 143 Q 9.80 4.96 0.00 2.20 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.89 0.00 0.00 0.00 0.00 0.00 2.61 2.45 0.00 144 P 0.00 5.39 0.00 2.38 2.22 0.00 3.86 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 145 I 9.05 4.65 2.14 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 1.20 1.18 1.01 0.00 0.00 146 Y 8.85 5.20 0.00 3.24 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 L 7.94 4.88 0.00 1.43 1.43 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 148 G 8.55 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 0.00 0.00 0.00 0.00 149 A 7.82 4.47 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 0.00 150 M 8.16 4.93 0.00 1.98 2.07 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 2.52 2.49 0.00 151 F 9.03 4.89 0.00 2.97 2.88 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 0.00 152 S 8.91 5.08 0.00 3.82 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 0.00 153 L 9.42 4.91 0.00 1.47 1.39 0.55 0.78 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 0.00 154 Q 9.20 4.78 0.00 2.13 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.88 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 155 E 8.73 4.12 0.00 1.89 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 156 G 9.14 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 157 D 8.01 4.64 0.00 2.54 2.49 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 0.00 158 K 8.85 5.01 0.00 1.17 1.17 0.00 0.61 0.00 0.00 1.26 0.00 0.00 2.43 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.09 1.22 7.81 159 L 9.11 5.46 0.00 1.77 1.82 0.81 0.77 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 0.00 160 M 9.18 5.23 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.63 0.00 161 V 8.15 4.55 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 1.06 0.00 0.00 -0.39 0.00 0.00 162 N 9.28 5.54 0.00 2.77 2.98 0.00 0.00 6.35 7.52 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 0.00 163 V 8.20 4.97 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 0.63 0.00 0.00 0.83 0.00 0.00 164 S 8.16 2.79 0.00 3.58 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 0.00 165 D 7.82 4.42 0.00 2.64 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 0.00 166 I 8.45 3.69 1.82 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.18 0.81 0.00 0.00 167 S 8.13 4.29 0.00 4.00 3.99 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 0.00 168 L 7.83 4.43 0.00 2.20 1.99 1.17 0.66 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 0.00 169 V 7.35 3.68 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 0.47 0.00 0.00 0.58 0.00 0.00 170 D 8.87 4.27 0.00 2.47 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 0.00 171 Y 7.50 4.63 0.00 2.99 2.92 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 0.00 172 T 7.85 3.94 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 0.78 0.00 0.00 173 K 7.58 4.67 0.00 1.74 1.93 0.00 1.68 0.00 0.00 1.87 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.37 1.32 7.81 174 E 8.97 4.23 0.00 2.18 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 2.34 2.38 0.00 175 D 8.13 4.79 0.00 2.88 2.88 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 0.00 176 K 8.02 4.54 0.00 1.83 1.92 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.41 7.81 177 T 7.76 4.87 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 1.27 0.00 0.00 178 F 8.95 5.42 0.00 3.14 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 0.00 179 F 8.68 5.06 0.00 1.70 1.45 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 0.00 180 G 8.32 3.68 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 0.00 181 A 8.43 5.28 1.03 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 0.00 0.00 182 F 8.89 5.55 0.00 3.21 3.20 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 0.00 183 L 8.59 3.58 0.00 1.09 1.49 0.36 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 184 L 8.39 4.33 0.00 1.65 1.61 0.97 1.23 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 * Residues marked with a * may have inaccurate shift predictions.