NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.3731 8.1914 121.0358 55.8687 30.4255 173.8972 4 G 4.4458 8.3885 110.2338 44.4069 0.0000 169.5802 5 T 4.6486 8.5471 115.1372 61.8982 73.9630 171.4562 6 L 4.7314 8.2500 127.6207 53.8680 44.1649 174.3400 7 Y 4.9018 9.0432 125.4766 56.4385 39.8597 174.9562 8 I 4.6861 9.0416 127.1353 60.4280 38.9472 175.1171 9 V 4.9748 8.8775 128.1366 61.3246 33.6776 174.6409 10 S 5.1795 8.9831 122.9427 55.7353 67.1427 173.0087 11 A 3.7577 7.7821 120.3808 50.4244 21.0849 174.7457 12 P 4.4099 0.0000 0.0000 61.9487 32.3655 175.8640 13 S 4.1342 8.4060 114.3444 60.2987 62.5194 174.3643 14 G 3.9175 9.1953 115.1719 45.8753 0.0000 173.5645 15 A 4.4559 7.6347 121.9312 51.1038 20.8535 178.6888 16 G 4.0091 8.4374 103.8895 45.2667 0.0000 174.8239 17 K 3.7335 8.2132 121.6620 59.8056 31.8187 178.6148 18 S 4.0704 7.9379 114.2924 61.8901 62.9203 176.5876 19 S 4.1723 8.1244 117.2696 61.5904 62.5635 176.7542 20 L 3.8730 8.2789 121.7921 57.9998 41.1883 179.7257 21 I 3.5010 7.2745 118.0409 64.0483 37.0998 178.2950 22 Q 4.0663 8.2832 118.9548 58.9934 28.0813 178.7168 23 A 4.0087 8.3381 122.0910 55.1303 18.2023 179.4320 24 L 3.8217 7.6089 117.8589 58.0692 42.1223 178.8273 25 L 4.0836 7.2751 117.9787 57.0024 41.6857 178.5191 26 K 4.1289 7.6446 117.3305 58.6784 32.1298 177.6498 27 T 4.5832 7.4518 107.9955 60.4392 69.3110 173.9972 28 Q 4.3849 7.6036 121.4520 55.1938 32.2732 171.9647 29 P 4.3083 0.0000 0.0000 62.1904 31.8475 177.2921 30 L 3.9740 8.1089 119.1162 57.8743 41.7007 178.5142 31 Y 4.6701 7.3781 113.6580 57.6949 38.3935 175.0926 32 D 4.9041 7.8424 119.1190 56.1542 44.2558 176.1724 33 T 5.3235 7.8574 112.7277 62.4755 72.9188 173.5585 34 Q 4.8110 9.2325 123.8903 54.1086 33.8197 174.4159 35 V 4.5002 8.2614 120.2253 60.7402 33.1677 175.7755 36 S 4.2149 9.0540 119.3148 58.5569 62.8218 173.6624 37 V 4.0093 8.4882 128.1666 62.2614 31.7985 175.6313 38 S 4.7940 8.7039 126.8217 58.9008 65.1774 173.3443 *39 H 5.6585 9.7989 121.2336 54.3657 30.1372 174.6404 40 T 5.8871 8.9544 116.2106 60.1335 70.9158 174.0005 41 T 5.0833 8.3961 113.9902 61.6546 70.0330 175.3981 42 R 4.1798 7.4553 118.2814 55.5906 31.5506 174.5767 43 Q 4.1200 8.2934 116.7714 54.2520 29.5671 173.6023 44 P 3.5309 0.0000 0.0000 62.4045 30.4005 176.2645 45 R 4.1763 8.5544 123.6426 54.5389 30.8662 174.6824 46 P 4.2588 0.0000 0.0000 64.2680 31.6707 174.9088 47 G 4.1006 8.9808 110.8371 45.5878 0.0000 172.8480 48 E 3.7362 7.5240 119.3010 56.4584 29.2332 176.4284 49 V 4.3930 8.2745 124.2034 59.5702 33.3067 175.1184 50 H 4.6809 8.9528 123.7425 57.7539 30.3348 173.4488 51 G 3.5385 8.2831 120.3189 46.2154 0.0000 174.6572 52 E 4.0398 7.1923 119.1097 58.6301 30.2600 178.0536 53 H 4.2881 8.8181 118.3118 58.9599 29.6091 175.3006 54 Y 4.5802 7.2237 114.1236 57.0153 42.7146 174.5126 55 F 4.6541 8.8396 120.9173 55.8907 38.6633 173.7098 56 F 4.8466 8.4379 120.2010 57.6325 39.6893 174.7464 57 V 4.7799 9.0627 116.5182 59.0893 36.2714 175.2479 58 N 4.7078 8.7695 119.7683 53.4365 39.0146 176.1809 59 H 4.0878 8.9850 120.4282 59.3652 29.5761 177.4578 60 D 4.3244 8.0066 120.1996 57.3427 41.0177 178.1380 61 E 4.5099 8.1688 119.8750 58.8880 29.4712 179.1095 62 F 4.0673 8.4995 120.6299 61.3156 39.5219 177.3955 63 K 4.0187 7.8397 118.2945 59.2626 31.8450 179.1850 64 E 3.9370 8.4148 119.1011 59.8559 29.4712 179.3789 65 M 3.8849 7.9668 118.5609 58.3529 31.6501 178.9737 66 I 3.9033 7.7972 119.3216 64.1968 37.5622 178.1729 67 S 4.2768 8.0004 113.8974 61.0581 62.0784 176.1115 68 R 4.5147 7.7031 116.6448 55.9635 31.5822 175.8885 69 D 4.2249 7.5230 114.5821 56.1722 39.6910 173.1669 70 A 4.3032 7.9090 120.5293 52.6867 20.7809 178.7275 71 F 4.6911 7.8499 113.4857 56.7295 40.0293 175.5542 72 L 4.5854 8.9105 123.5932 56.9425 43.0616 176.3397 73 E 5.6835 8.2031 114.2011 56.7102 32.6522 173.8283 74 H 5.1044 8.7074 114.3136 55.7557 31.2381 172.2594 75 A 4.5445 8.7415 119.9501 51.7918 22.9545 174.2980 76 E 4.4659 8.6513 117.6216 54.4856 31.6514 175.7176 77 V 4.3219 8.3331 124.2080 63.0872 34.6228 175.9865 78 F 3.6910 9.3385 122.1605 58.5723 37.0882 175.9163 79 G 3.8144 7.0418 113.9975 47.5941 0.0000 175.1318 80 N 4.5156 7.6415 118.3091 51.8272 40.8320 172.8029 81 Y 4.8839 7.9453 115.6541 56.9627 41.3331 174.7191 82 Y 5.3724 8.5789 120.8969 56.5169 42.0214 174.8148 83 G 4.3177 9.8348 109.1831 45.5850 0.0000 172.4268 84 T 4.7969 9.1082 118.5390 61.8216 69.8204 174.8899 85 S 4.1847 8.7293 122.6717 58.0322 62.4744 174.7441 86 R 3.9423 8.1827 129.1203 58.8375 29.7455 177.9921 87 E 3.7705 7.9121 118.8555 59.1058 29.8587 178.2753 88 A 3.8400 7.3035 119.9578 55.1822 18.3701 179.6232 89 I 3.7292 7.5598 117.9647 64.7775 37.3869 178.6281 90 E 3.9807 8.2202 119.2337 59.4080 28.9882 179.4523 91 Q 3.9892 7.9019 117.4839 58.8649 29.0015 178.9620 92 V 3.7378 7.4199 117.7254 66.1664 31.7264 177.9743 93 L 4.2741 8.1376 119.7897 57.2203 41.1796 179.5081 94 A 4.0966 7.7862 119.8248 54.9095 18.3345 178.2248 95 T 4.1309 8.0092 105.7399 61.7269 69.0359 175.3628 96 G 4.3625 8.0035 109.6570 45.4945 0.0000 173.5284 97 V 4.3226 7.4265 119.0602 61.3704 33.6243 174.8438 98 D 5.0295 8.9208 127.0758 54.1608 42.3824 175.4213 99 V 5.0493 9.0028 122.1929 61.1856 34.9577 174.0377 100 F 5.0520 9.1257 126.0490 55.6887 41.5425 174.2473 101 L 4.8758 9.1883 127.0457 53.2380 43.9304 175.1209 102 D 5.2920 8.8202 127.8618 53.7593 41.1108 174.8803 103 I 4.8952 8.4750 118.8013 59.0928 42.2718 174.3450 104 D 4.9557 8.5681 122.6030 52.0319 40.5320 177.2159 105 W 4.6498 9.2777 118.0555 59.3382 27.8485 178.1391 106 Q 3.2744 6.7163 117.9792 58.4738 28.0580 178.6070 107 G 3.7144 7.8814 105.8586 47.9919 0.0000 174.6186 108 A 4.0040 7.8453 122.4253 55.5052 18.4615 179.4908 109 Q 3.8803 8.0177 115.2038 59.3520 28.6575 179.4123 110 Q 4.0239 7.9284 118.2595 58.8874 28.5838 179.1073 111 I 3.9918 7.6192 120.2825 63.8881 37.4385 178.2010 112 R 3.8554 8.6405 119.3716 59.6591 29.5499 178.3970 113 Q 4.0418 7.8124 118.7388 58.7894 29.2840 177.5730 114 K 4.3373 7.7378 117.2174 57.0267 34.1635 177.3774 115 M 4.7962 8.1690 119.3781 52.9890 32.3407 174.1822 116 P 4.6204 0.0000 0.0000 64.4706 32.3461 178.1886 117 H 4.3678 8.0958 114.9651 57.4782 29.1847 175.4566 118 A 4.2158 7.6529 121.2785 51.9452 19.0111 177.1585 119 R 4.9935 8.4918 119.2610 54.3690 33.7043 175.2533 120 S 5.5189 9.4652 116.3016 56.7868 66.0508 172.8252 121 I 5.2595 9.8700 125.0704 59.4951 40.4156 174.1236 122 F 4.9211 9.2367 128.4595 56.3501 42.0637 173.5583 123 I 4.8981 7.6509 126.8222 59.6567 38.7995 175.1010 124 L 4.9877 8.6720 126.4183 51.9918 43.6696 174.6423 125 P 4.6732 0.0000 0.0000 61.8234 32.1231 175.6739 126 P 4.2045 0.0000 0.0000 64.8442 31.8354 176.3433 127 S 4.5195 7.0697 112.1607 56.5429 67.0485 176.7958 128 K 3.9628 8.1659 122.5680 59.5344 31.9527 178.6299 129 I 3.6803 7.7262 119.7079 64.5556 37.0144 177.8867 130 E 3.9581 8.0664 119.5362 58.8529 29.4342 178.5609 131 L 3.9003 7.9758 120.5907 58.1864 42.1164 177.9700 132 D 4.2965 8.4063 118.3263 57.7474 40.8454 178.2668 133 R 3.8706 7.8965 117.7823 59.7607 30.1536 178.4635 134 R 4.0738 8.1382 116.8853 59.1903 30.2177 178.7327 135 L 4.1729 8.5194 119.2538 57.6592 41.6646 179.1638 136 R 4.1891 8.5591 115.8181 54.8917 29.7997 180.2196 137 G 3.7053 8.1401 107.7010 46.6129 0.0000 176.0202 138 R 3.9615 9.0945 126.5218 57.0038 30.6835 175.9980 139 G 3.9334 8.9486 105.6094 46.2382 0.0000 174.2797 140 Q 4.6538 7.6483 115.9078 53.5700 28.9255 174.3480 141 D 4.8317 7.5449 117.3077 52.0053 45.8341 176.0105 142 S 4.2758 8.4860 116.8491 58.1577 63.9260 175.2152 143 E 4.0390 8.8939 122.9376 59.2324 29.1208 179.0652 144 E 4.1918 8.0418 117.9350 58.4255 29.7005 178.4965 145 V 3.7204 7.8345 118.3274 65.4495 31.4499 178.3240 146 I 3.7406 7.6779 119.3086 64.3240 37.1337 177.9928 147 A 3.9849 7.9115 121.3279 54.9538 18.2602 179.6202 148 K 3.9529 7.9723 117.9099 59.5612 32.2514 179.3333 149 R 4.0242 7.7954 118.3321 59.1835 30.2236 178.5595 150 M 4.0831 8.3895 118.0230 58.2588 32.1892 178.2734 151 A 3.9940 8.1836 121.2975 55.1908 18.7221 179.3823 152 Q 3.9901 8.0938 117.6151 59.0526 29.0477 178.4840 153 A 3.9854 8.1569 121.9249 55.3079 18.3306 179.7505 154 V 3.6821 7.5081 114.6424 65.9621 31.5565 177.8047 155 A 4.0615 7.9118 119.8218 55.2349 18.3860 179.0188 156 E 4.2639 8.0282 116.2255 59.1989 29.7189 177.5257 157 M 4.8308 8.2205 116.7462 55.6967 32.4049 176.3246 158 S 4.7015 7.7926 111.5158 58.3507 64.7785 173.6984 159 H 4.6841 7.6557 117.7262 55.9268 29.3242 176.9543 160 Y 3.0202 7.5144 120.1768 59.2548 38.3546 177.3715 161 A 3.9365 6.7994 122.0857 54.4374 18.5888 178.2282 162 E 3.9789 7.4603 114.5401 58.6856 29.5839 176.8123 163 Y 4.6371 7.7237 116.2799 56.5531 39.9416 176.3889 164 D 4.3078 8.9535 122.2932 57.4166 41.2659 176.5234 165 Y 4.9961 8.5121 115.6151 56.0250 41.6161 174.6520 166 L 5.2787 8.6424 122.8947 53.7027 44.9390 175.3479 167 I 4.3950 8.7394 127.9255 59.6874 39.3762 175.0856 168 V 4.2382 8.3465 127.6438 61.8351 31.9488 175.4360 169 N 4.1842 8.8395 129.2525 53.0986 36.9407 173.8088 170 D 4.4266 8.5098 122.0724 55.0434 42.6384 175.7678 171 D 4.6067 7.7012 115.1766 53.2710 42.9565 176.6108 172 F 4.0026 9.0011 129.0670 61.8449 39.3927 176.8477 173 D 4.3738 8.6930 118.3401 57.6032 40.5659 178.8937 174 T 3.7840 8.0907 115.5202 66.6143 68.5511 176.2940 175 A 3.8674 7.9983 122.6816 55.0942 18.3035 179.4862 176 L 3.7032 7.6228 118.7672 58.2412 42.0416 179.3332 177 T 3.7873 7.7604 115.9163 66.5052 68.3806 176.1783 178 D 4.2777 8.1030 120.8746 57.4151 40.8506 178.7829 179 L 3.8582 7.7986 120.5656 58.0607 42.0420 179.1668 180 K 3.9196 8.1272 118.5493 59.4869 31.8579 179.3870 181 T 3.7939 8.4156 116.3479 66.7005 68.4122 176.3087 182 I 3.4150 7.5106 121.4229 64.5361 37.2451 178.2434 183 I 3.5445 7.2482 119.8048 64.4916 36.7432 178.4651 184 R 3.8666 7.8514 117.5793 59.4703 30.2165 178.0639 185 A 4.1584 8.3517 120.9543 55.2499 18.4278 179.4958 186 E 4.0644 8.3161 117.2178 59.5341 29.3801 179.3182 187 R 4.2542 7.7824 115.7686 57.6883 30.2505 177.6762 188 L 4.5239 7.2175 117.5068 53.8410 42.5603 177.3783 189 R 4.1540 7.4099 119.5463 55.7810 31.9118 176.8577 190 M 3.9646 8.7214 121.9571 59.4105 32.2838 178.3854 191 S 4.0776 8.2109 114.1430 62.4350 63.0529 176.8843 192 R 4.1053 7.9020 120.1783 59.1856 30.0661 178.4063 193 Q 4.1256 8.2092 118.1608 58.3769 28.4837 178.1798 194 K 3.9819 8.2402 120.7152 59.6617 32.4093 178.2127 195 Q 4.0363 7.6925 118.6427 59.2810 28.8306 178.2283 196 R 3.9231 8.2068 120.4623 58.8042 30.5721 177.0610 197 H 4.9432 7.9564 113.8811 55.4187 29.6188 175.5280 198 D 4.3429 8.1142 120.8578 57.6481 40.7201 178.1263 199 A 3.9659 7.9749 120.3224 55.1424 18.5116 179.0194 200 L 3.9305 7.9407 118.2042 58.6319 41.9859 179.2213 201 I 3.8140 7.8107 118.1769 64.2545 37.2511 178.2519 202 S 4.2227 7.9465 116.0352 61.5043 62.7750 176.4402 203 K 3.8861 7.8999 120.8852 59.7848 31.6850 179.3497 204 L 4.0506 7.6460 117.7344 57.5855 41.6020 178.6668 205 L 4.4704 7.6828 115.3230 55.1172 41.7522 176.7773 206 A 4.1750 7.5817 127.8840 51.9615 18.0421 178.0387 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 3 Q 8.19 4.37 0.00 1.76 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.55 0.00 0.00 0.00 0.00 0.00 2.26 1.95 0.00 4 G 8.39 4.45 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 0.00 0.00 0.00 5 T 8.55 4.65 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 6 L 8.25 4.73 0.00 1.67 1.40 0.95 0.89 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 7 Y 9.04 4.90 0.00 1.99 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 8 I 9.04 4.69 2.02 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 1.16 0.98 1.11 0.00 0.00 9 V 8.88 4.97 2.22 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 1.02 0.00 0.00 1.22 0.00 0.00 10 S 8.98 5.18 0.00 3.73 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 11 A 7.78 3.76 0.92 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 12 P 0.00 4.41 0.00 2.26 2.41 0.00 3.62 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 13 S 8.41 4.13 0.00 3.85 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 14 G 9.20 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 15 A 7.63 4.46 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 16 G 8.44 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 17 K 8.21 3.73 0.00 1.74 1.81 0.00 1.97 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.55 7.81 18 S 7.94 4.07 0.00 3.91 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 19 S 8.12 4.17 0.00 4.15 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 20 L 8.28 3.87 0.00 1.80 1.58 0.77 0.85 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 21 I 7.27 3.50 1.81 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.57 0.73 0.00 0.00 22 Q 8.28 4.07 0.00 2.33 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 23 A 8.34 4.01 1.50 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 24 L 7.61 3.82 0.00 1.49 1.64 0.78 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.28 4.08 0.00 1.68 1.63 0.86 1.20 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 26 K 7.64 4.13 0.00 1.88 1.84 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.54 7.81 27 T 7.45 4.58 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 1.19 0.00 0.00 28 Q 7.60 4.38 0.00 2.04 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.08 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 29 P 0.00 4.31 0.00 0.77 1.70 0.00 3.58 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 30 L 8.11 3.97 0.00 1.75 1.77 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 7.38 4.67 0.00 3.05 3.08 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 32 D 7.84 4.90 0.00 2.60 2.65 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 33 T 7.86 5.32 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 1.38 0.00 0.00 34 Q 9.23 4.81 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.90 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 35 V 8.26 4.50 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 94 A 7.79 4.10 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 95 T 8.01 4.13 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 1.31 0.00 0.00 96 G 8.00 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 97 V 7.43 4.32 2.13 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 1.11 0.00 0.00 1.07 0.00 0.00 98 D 8.92 5.03 0.00 2.97 2.84 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 99 V 9.00 5.05 2.09 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 1.04 0.00 0.00 0.97 0.00 0.00 100 F 9.13 5.05 0.00 3.12 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 0.00 101 L 9.19 4.88 0.00 1.78 1.60 0.96 1.05 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 0.00 102 D 8.82 5.29 0.00 2.79 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0.00 0.00 0.00 7.37 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 111 I 7.62 3.99 1.98 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.09 0.92 0.00 0.00 112 R 8.64 3.86 0.00 1.89 1.96 0.00 3.02 0.00 0.00 3.00 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 113 Q 7.81 4.04 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 114 K 7.74 4.34 0.00 1.81 1.83 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.46 1.67 7.81 115 M 8.17 4.80 0.00 1.93 2.07 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 116 P 0.00 4.62 0.00 2.20 2.17 0.00 3.32 0.00 0.00 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 117 H 8.10 4.37 0.00 3.07 3.37 0.00 5.90 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 0.00 118 A 7.65 4.22 1.23 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 0.00 0.00 119 R 8.49 4.99 0.00 1.78 1.98 0.00 3.24 0.00 0.00 3.53 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.36 0.00 120 S 9.47 5.52 0.00 4.24 3.98 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 0.00 121 I 9.87 5.26 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.05 1.01 0.00 0.00 122 F 9.24 4.92 0.00 2.56 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 0.00 123 I 7.65 4.90 1.68 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.55 0.91 0.00 0.00 124 L 8.67 4.99 0.00 1.54 1.52 0.73 1.38 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 0.00 125 P 0.00 4.67 0.00 2.36 2.16 0.00 3.70 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 2.07 1.95 0.00 126 P 0.00 4.20 0.00 2.19 2.21 0.00 3.80 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 127 S 7.07 4.52 0.00 4.02 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 K 8.17 3.96 0.00 1.84 1.84 0.00 1.73 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.53 7.81 129 I 7.73 3.68 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 1.52 0.58 0.91 0.00 0.00 130 E 8.07 3.96 0.00 2.09 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 2.31 2.36 0.00 131 L 7.98 3.90 0.00 1.92 1.84 0.97 1.08 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 0.00 132 D 8.41 4.30 0.00 2.71 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 0.00 133 R 7.90 3.87 0.00 1.95 2.10 0.00 3.31 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 134 R 8.14 4.07 0.00 2.00 1.97 0.00 3.39 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.93 0.00 135 L 8.52 4.17 0.00 1.90 1.71 0.93 0.99 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 0.00 136 R 8.56 4.19 0.00 1.99 1.95 0.00 3.22 0.00 0.00 3.17 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 137 G 8.14 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 0.00 138 R 9.09 3.96 0.00 1.75 1.95 0.00 3.29 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 139 G 8.95 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 0.00 0.00 0.00 140 Q 7.65 4.65 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.20 6.69 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 141 D 7.54 4.83 0.00 2.59 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 S 8.49 4.28 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 0.00 143 E 8.89 4.04 0.00 2.00 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 2.40 2.36 0.00 144 E 8.04 4.19 0.00 2.05 1.98 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 2.36 2.41 0.00 145 V 7.83 3.72 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 1.03 0.00 0.00 0.93 0.00 0.00 146 I 7.68 3.74 2.03 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 1.79 0.70 0.91 0.00 0.00 147 A 7.91 3.98 1.38 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 0.00 0.00 148 K 7.97 3.95 0.00 2.01 1.82 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 149 R 7.80 4.02 0.00 2.04 1.96 0.00 3.18 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 150 M 8.39 4.08 0.00 2.18 2.06 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 2.60 2.60 0.00 151 A 8.18 3.99 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 0.00 152 Q 8.09 3.99 0.00 2.37 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 153 A 8.16 3.99 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 0.00 154 V 7.51 3.68 2.09 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 0.85 0.00 0.00 0.98 0.00 0.00 155 A 7.91 4.06 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.03 4.26 0.00 2.33 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.67 0.00 157 M 8.22 4.83 0.00 2.08 2.24 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 2.73 2.77 0.00 158 S 7.79 4.70 0.00 3.58 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 0.00 159 H 7.66 4.68 0.00 3.22 3.45 0.00 5.61 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 Y 7.51 3.02 0.00 2.41 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 0.00 161 A 6.80 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 E 7.46 3.98 0.00 1.89 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 2.29 2.22 0.00 163 Y 7.72 4.64 0.00 3.32 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 D 8.95 4.31 0.00 2.63 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 0.00 0.00 0.00 0.00 165 Y 8.51 5.00 0.00 3.07 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 0.00 166 L 8.64 5.28 0.00 1.71 1.60 1.06 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 167 I 8.74 4.39 1.85 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 1.10 0.64 0.85 0.00 0.00 168 V 8.35 4.24 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 0.73 0.00 0.00 0.91 0.00 0.00 169 N 8.84 4.18 0.00 2.71 2.76 0.00 0.00 7.14 8.51 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 0.00 170 D 8.51 4.43 0.00 2.66 2.52 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 0.00 0.00 0.00 0.00 171 D 7.70 4.61 0.00 2.76 2.53 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 0.00 0.00 0.00 0.00 172 F 9.00 4.00 0.00 3.16 3.04 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 0.00 173 D 8.69 4.37 0.00 2.92 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 0.00 174 T 8.09 3.78 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 1.18 0.00 0.00 175 A 8.00 3.87 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 0.00 176 L 7.62 3.70 0.00 1.25 1.57 0.73 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 177 T 7.76 3.79 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 1.17 0.00 0.00 178 D 8.10 4.28 0.00 2.83 2.66 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 0.00 0.00 0.00 0.00 179 L 7.80 3.86 0.00 1.64 1.66 0.93 0.09 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 0.00 180 K 8.13 3.92 0.00 1.97 1.77 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.48 7.81 181 T 8.42 3.79 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 1.18 0.00 0.00 182 I 7.51 3.41 1.69 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.44 0.16 0.00 0.00 183 I 7.25 3.54 1.94 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.32 0.91 0.00 0.00 184 R 7.85 3.87 0.00 1.90 2.08 0.00 3.26 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 185 A 8.35 4.16 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 0.00 186 E 8.32 4.06 0.00 2.34 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 0.00 2.58 2.80 0.00 187 R 7.78 4.25 0.00 2.02 2.02 0.00 3.19 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.83 0.00 188 L 7.22 4.52 0.00 1.82 1.71 0.94 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 189 R 7.41 4.15 0.00 1.97 1.87 0.00 3.33 0.00 0.00 3.13 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.85 0.00 190 M 8.72 3.96 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.72 0.00 191 S 8.21 4.08 0.00 3.91 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 0.00 192 R 7.90 4.11 0.00 1.90 1.95 0.00 3.21 0.00 0.00 3.37 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 193 Q 8.21 4.13 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.57 0.00 0.00 0.00 0.00 0.00 2.65 2.55 0.00 194 K 8.24 3.98 0.00 1.89 2.00 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.46 7.81 195 Q 7.69 4.04 0.00 2.27 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 196 R 8.21 3.92 0.00 1.79 1.87 0.00 3.25 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.53 0.00 197 H 7.96 4.94 0.00 3.47 3.24 0.00 5.89 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 0.00 198 D 8.11 4.34 0.00 2.94 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 0.00 199 A 7.97 3.97 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 0.00 200 L 7.94 3.93 0.00 1.80 1.88 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 201 I 7.81 3.81 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.90 0.92 0.00 0.00 202 S 7.95 4.22 0.00 4.01 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 0.00 203 K 7.90 3.89 0.00 1.88 1.88 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.63 1.65 7.81 204 L 7.65 4.05 0.00 1.80 1.73 0.91 1.00 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 0.00 205 L 7.68 4.47 0.00 1.63 1.68 0.96 0.92 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 0.00 206 A 7.58 4.17 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.