NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.6469 8.0276 122.7583 55.2910 44.0662 175.2167 3 T 5.1119 8.6933 115.7149 59.7171 71.9586 171.1086 4 I 4.9140 9.1727 127.3721 59.5927 40.3646 176.2585 5 G 4.1147 9.6109 113.9365 44.8698 0.0000 173.0282 6 V 4.6540 8.4359 121.6538 60.2432 33.9451 174.4979 7 L 3.9275 8.1222 131.2297 56.3131 42.3493 178.0378 8 G 3.8780 8.7409 111.0474 45.9018 0.0000 172.8232 9 L 4.6439 7.9758 115.5309 53.9000 42.1655 176.4033 10 Q 4.3977 7.8913 118.8702 55.0534 31.8121 172.8472 11 G 3.3181 10.1457 114.1312 45.3022 0.0000 173.1515 12 A 3.6717 8.2444 121.4150 52.7337 15.5327 181.6581 13 V 3.6445 8.0723 122.0241 66.5959 31.1926 177.1146 14 R 3.8874 7.9665 118.7681 58.9480 29.8877 178.0744 15 E 3.9742 8.1085 117.8566 59.7573 29.4600 178.8658 16 H 4.1518 7.9551 115.4354 59.0685 28.7880 177.6506 17 I 3.6747 7.8853 121.5405 64.8836 36.8905 177.8757 18 H 4.1756 8.6018 118.6754 59.3638 29.3443 177.0332 19 A 3.8304 8.1951 122.5947 55.3994 17.6457 179.6899 20 I 3.7786 8.5766 118.7554 64.5755 37.1231 178.5717 21 E 4.3513 8.7196 120.8266 58.6816 29.1066 179.1220 22 A 4.0465 8.2225 120.2516 54.6323 18.4431 178.4204 23 C 4.4256 7.4992 112.7654 59.2572 29.0214 173.3235 24 G 3.7123 9.2174 107.9956 45.6428 0.0000 173.8417 25 A 4.7642 7.7026 118.0687 49.7910 23.3730 177.0527 26 A 4.0955 9.0529 124.5394 52.1345 19.6160 177.0866 27 G 4.4691 8.4905 108.0201 44.8470 0.0000 172.4642 28 L 4.5103 8.1422 120.7558 53.9268 46.1070 174.7386 29 V 4.3273 8.4454 126.8520 61.3819 31.0172 173.7613 30 V 3.6163 8.2767 125.7795 63.3275 31.7743 175.9215 31 K 4.3419 8.8563 127.3853 56.6829 34.2292 177.0060 32 R 4.6506 7.5453 115.9865 52.7437 34.0347 173.6374 33 P 3.7517 0.0000 0.0000 65.9465 31.0741 178.4798 34 E 3.4339 8.2326 115.6003 59.9865 29.0008 179.1270 35 Q 4.0575 8.4138 118.8216 58.3460 28.9070 178.0559 36 L 4.0310 8.7212 121.2609 57.3599 41.2567 178.0445 37 N 4.9497 7.6298 114.6717 53.3069 38.3252 175.3856 38 E 4.6464 8.5209 118.4881 56.0126 31.5935 176.4447 39 V 4.6982 7.2870 110.0586 59.6917 34.1717 175.2830 40 D 4.7708 8.9248 121.8239 56.1414 41.7101 177.1537 41 G 4.4402 8.0796 103.9349 44.6452 0.0000 171.4262 42 L 5.3816 9.0931 123.8553 53.0411 44.9604 175.5467 43 I 4.2759 9.0369 126.9919 59.5949 39.8050 174.6915 44 L 4.3327 8.6638 128.5289 52.2755 41.7216 175.6977 45 P 4.1707 0.0000 0.0000 62.5278 33.3223 180.0354 46 G 3.5571 8.8010 108.4922 45.5298 0.0000 175.2841 47 G 3.8190 9.1765 110.3895 46.1067 0.0000 172.2855 48 E 4.3494 8.1677 123.6468 55.9877 30.6538 177.4603 49 S 4.4097 8.6154 113.3058 59.4321 64.7875 175.8344 50 T 3.5450 9.0887 117.4366 64.5144 66.5931 173.0811 51 T 4.4983 7.1741 118.5685 63.6080 68.0249 176.7312 *53 R 4.2013 8.0267 121.8468 56.3536 31.7969 177.7460 54 R 3.8702 6.7580 115.1127 60.2226 30.4783 177.7199 55 L 4.2793 7.8932 122.2217 57.6220 41.1848 178.1181 56 I 4.4804 7.7567 120.2278 63.2393 38.7495 177.4111 57 D 4.4982 8.4661 120.2955 56.7831 41.0255 177.7796 58 T 4.5348 8.2306 107.6617 61.7966 68.6622 175.0268 59 Y 4.5044 7.7625 113.9321 57.6068 42.2229 174.6253 60 Q 3.4590 8.2121 118.1600 57.1798 26.6140 175.2110 61 F 4.2061 8.5411 114.1612 57.4503 38.6401 178.0045 *63 E 4.3109 8.1661 121.8671 56.1348 31.7167 177.2057 64 P 4.4641 0.0000 0.0000 65.5826 31.2383 178.7116 65 L 4.1927 8.4707 118.4366 57.6048 41.5524 179.6120 66 R 4.0108 7.9055 117.6469 59.4932 30.2200 178.8709 67 E 4.1264 8.8028 118.5742 58.9216 29.0281 179.2655 68 F 4.5647 8.6558 122.3183 60.6534 39.4927 176.7119 69 A 4.0379 8.3078 120.2229 55.5110 18.0279 179.2611 70 A 4.0324 7.7913 117.4977 55.6670 18.5929 179.5645 71 Q 4.1333 7.9430 115.2080 57.1686 28.3991 178.2187 72 G 4.3579 8.2192 108.1582 45.2984 0.0000 173.4662 73 K 2.5608 6.5726 118.5499 54.2886 32.7902 176.2127 74 P 5.1861 0.0000 0.0000 61.9517 32.8520 174.2414 *76 F 4.6833 8.6131 122.1310 58.8311 40.6406 175.0625 77 G 4.1996 9.0344 115.6544 45.1159 0.0000 171.5795 78 T 4.5029 8.0265 117.4638 59.8402 71.1396 174.3148 79 C 3.6605 8.5817 124.7198 59.8256 32.1773 175.3575 80 A 4.0756 8.7377 116.5038 55.2508 18.1068 179.8861 81 G 3.4955 8.1342 102.4969 47.7266 0.0000 175.2876 82 L 3.9122 8.1965 122.8632 58.4819 41.6944 179.3343 83 I 3.7118 7.4218 118.5061 64.3779 37.2676 178.1872 84 I 4.0238 8.0796 121.2243 64.1433 36.7963 178.4517 85 L 3.9124 7.7859 119.2923 58.1084 42.2118 175.9965 86 A 5.1247 8.2575 128.0125 51.5272 18.1209 176.1757 87 K 4.9253 8.5935 115.1901 55.9347 36.7492 175.2131 88 E 5.1436 8.4258 120.6231 53.8300 33.1161 175.1392 89 I 3.5763 8.5193 113.5318 62.0868 37.8208 175.4041 90 A 3.6109 9.9810 126.7830 51.8718 16.9655 172.8398 91 G 4.0804 8.2841 112.4127 43.6437 0.0000 174.6031 92 S 6.1963 7.8156 132.1000 59.0912 65.4211 176.2944 93 D 4.5822 7.1731 128.6824 54.7239 43.2110 177.9931 94 N 4.4937 8.2961 128.1681 52.9885 38.9619 172.3051 95 P 4.3141 0.0000 0.0000 62.8085 30.7882 175.7762 96 H 5.1200 8.0570 118.7142 53.4685 31.0878 174.0177 97 L 4.0341 9.2143 124.0826 56.8387 41.6170 178.3928 98 G 3.7553 7.7959 104.6088 46.6148 0.0000 174.6704 99 L 4.0468 7.8381 120.9246 56.3080 42.8200 177.5061 100 L 4.0650 7.2014 122.8077 53.8785 42.9116 176.5490 101 N 5.1638 9.7325 129.5301 52.9922 36.5234 173.7819 102 V 4.9185 7.3825 120.4338 59.9709 36.1413 174.9890 103 V 4.8812 8.6380 122.8225 61.3077 33.3450 174.9020 104 V 5.1357 8.4787 127.0328 59.8675 34.4257 174.4840 105 E 4.8881 8.9392 119.7543 54.3063 33.2126 175.3069 106 R 4.4671 8.5091 119.1179 55.7305 31.0956 176.1958 107 N 4.6443 8.9294 120.9020 54.4738 39.1965 174.6383 108 S 4.6965 8.9755 118.0072 57.9167 64.3295 174.2911 109 F 4.2079 8.9451 120.6453 56.8836 39.6224 175.5431 110 G 3.9080 8.5242 111.6866 45.4289 0.0000 174.8415 111 R 4.3205 8.5067 118.4422 58.5806 30.1837 178.5995 112 Q 4.2083 8.0903 115.3135 57.8250 29.0136 176.9771 113 V 4.4728 7.6431 108.5891 60.9599 32.4245 175.7906 114 D 4.8285 8.1713 119.4623 54.5811 40.4419 175.8260 115 S 5.1153 7.7148 115.0555 56.8982 66.6912 172.9532 116 F 4.6972 8.3867 117.2749 56.8988 41.2725 172.2345 117 E 5.3958 9.0144 118.0981 55.0671 32.6302 175.7879 118 A 4.5566 8.4417 121.5320 50.9381 23.3177 175.4234 119 D 4.8150 8.9554 123.3537 54.6531 41.6009 175.7276 120 L 4.8008 9.6897 125.4180 53.0969 44.5196 175.6166 121 T 4.6588 8.5430 118.2105 61.1643 68.5012 173.7754 122 I 4.6506 8.2074 129.0539 58.8075 39.8474 174.5617 123 K 4.0181 8.9780 127.6171 58.7440 31.9987 176.2481 124 G 4.0916 8.8360 113.6226 45.3015 0.0000 173.0715 125 L 4.8360 7.8009 119.5070 52.9566 44.6009 176.3554 126 D 4.4379 8.7208 123.4097 57.1982 41.2941 176.4350 127 E 4.3145 7.8196 119.1023 54.5892 30.6204 174.2259 128 P 4.6859 0.0000 0.0000 63.1788 32.3888 175.1467 129 F 4.6977 9.2775 123.3134 56.7120 42.5520 174.1488 130 T 4.4956 7.7351 123.0099 62.7894 68.8624 174.2639 131 G 3.5573 8.7273 115.2422 45.1233 0.0000 171.7725 132 V 4.3589 8.2549 124.3533 61.4129 33.3134 174.2584 133 F 4.7495 9.0376 128.4653 55.8703 40.7764 175.2919 134 I 4.5949 8.0221 124.2114 59.3830 39.6343 174.9221 135 R 3.8461 9.0613 126.7598 56.4185 28.3568 176.9021 136 A 4.1977 8.2110 117.5259 52.1432 18.8296 176.8616 137 P 4.5963 0.0000 0.0000 62.8261 32.8536 175.2306 138 H 4.9977 9.1627 122.4561 54.6593 31.7657 173.6012 139 I 4.3656 8.5378 127.4074 61.1024 36.8906 175.9041 140 L 4.1022 9.0356 129.0037 57.3805 42.4834 177.4577 141 E 4.7839 7.7555 115.6874 55.1489 32.8464 174.1431 142 A 5.0410 8.6437 127.5953 49.8347 21.8891 176.3638 143 G 3.7756 8.9873 108.6111 45.6879 0.0000 174.4861 144 E 4.0169 8.9392 121.5668 58.9020 29.6679 177.4503 145 N 4.7003 8.1334 113.2843 52.9658 37.8178 174.6392 146 V 4.4041 7.6472 113.3085 59.7876 33.5971 174.6962 147 E 4.3630 9.1166 126.6555 55.0319 30.7792 175.3184 148 V 4.1163 8.4277 128.0022 63.0674 31.6588 175.5376 149 L 4.4179 9.3537 129.2283 56.9020 43.2206 176.8379 150 S 4.9145 7.8180 111.4551 57.1539 65.6569 173.0360 151 E 5.3216 8.7810 126.3764 55.0575 33.2943 174.6378 152 H 4.5526 9.6322 122.5678 56.2596 32.9837 173.1208 153 N 4.1166 9.6521 126.2746 54.6921 37.2119 174.4455 154 G 3.9700 8.5316 100.8863 45.4407 0.0000 173.9092 155 R 4.7251 7.8333 117.8167 53.7734 33.4162 174.9679 156 I 4.3257 8.4700 122.6525 61.6286 37.5440 176.1876 157 V 4.7175 8.8275 117.5511 61.2457 34.1338 175.4658 158 A 5.0412 7.8283 122.1348 51.1471 22.3240 175.1645 159 A 5.2038 9.8521 125.2257 50.0962 23.4677 174.5964 160 K 4.9209 9.2521 119.9735 54.8728 36.2143 175.3726 161 Q 4.4445 9.4973 128.6048 55.7025 31.7623 176.9518 162 G 3.9708 9.0885 120.0932 46.7876 0.0000 173.4078 163 Q 4.1855 8.4715 125.0630 55.8359 30.0216 174.8357 164 F 5.3293 8.0100 119.7404 56.2462 40.9971 174.6204 165 L 5.1307 8.5884 124.5752 53.5559 45.5593 175.0580 166 G 4.7996 8.9307 109.8957 45.5495 0.0000 171.8549 167 C 5.2057 8.7102 117.4173 56.6277 33.2076 174.4347 168 S 4.6181 8.9336 115.2957 58.4545 63.4733 173.1860 169 F 4.4374 6.7099 114.8577 55.2603 40.2867 175.4433 170 H 4.7095 8.8384 118.2311 53.1168 26.9213 174.5038 171 P 4.8553 0.0000 0.0000 64.5244 31.7928 177.9475 172 E 4.2919 8.0953 116.5973 57.6676 30.3050 176.3759 173 L 4.2629 7.3243 120.2686 54.5261 41.8916 175.7860 174 T 4.3921 7.2111 110.3752 61.3053 70.1889 172.6605 175 E 3.9364 8.5143 123.3874 58.5624 29.7259 177.0044 176 D 4.4026 7.8482 118.3138 54.6636 41.1642 175.4604 177 H 4.9676 8.7075 123.0023 55.9785 29.3012 176.8947 178 R 4.0069 8.5016 123.2464 59.0878 29.8902 179.2589 179 V 3.4766 7.7236 117.8586 66.0995 31.6206 177.8728 180 T 4.0956 8.0475 115.0324 67.0108 68.3234 176.0899 181 Q 4.0670 8.5592 121.5180 59.0051 28.6963 178.4408 182 L 3.9340 7.4863 119.1087 57.8083 41.8059 178.7814 183 F 4.2622 7.7376 118.6067 61.2125 39.4977 176.8661 184 V 3.6231 8.1533 118.1711 65.8905 31.4059 179.8816 185 E 4.7717 8.2302 120.5029 55.5778 29.4118 179.3836 *187 V 3.8565 7.8393 120.1416 63.0120 33.5103 176.7618 188 E 3.9106 8.3183 119.6178 59.7310 29.0621 178.9694 189 E 3.8742 8.2895 118.8854 59.5240 29.2758 178.3178 190 Y 4.2668 7.8231 118.7656 60.4750 38.8412 176.5443 191 K 3.6124 8.1652 119.6096 58.9343 32.0159 178.0810 192 Q 3.7196 7.3499 116.7127 59.0069 29.1788 178.8371 193 K 4.1892 7.5175 123.7552 54.6744 30.3152 175.1352 194 A 4.4929 7.2514 120.7546 51.4903 22.4188 177.1238 195 L 4.6412 7.6209 116.3328 53.6433 44.9424 177.2476 196 V 3.9407 7.5556 121.7806 62.8380 31.7789 174.7700 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 2 L 8.03 4.65 0.00 1.76 1.62 0.90 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.69 5.11 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 1.25 0.00 0.00 4 I 9.17 4.91 1.99 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 1.24 0.85 1.18 0.00 0.00 5 G 9.61 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 6 V 8.44 4.65 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 0.84 0.00 0.00 0.93 0.00 0.00 7 L 8.12 3.93 0.00 1.44 1.32 -0.12 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 8 G 8.74 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 L 7.98 4.64 0.00 1.56 1.61 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 10 Q 7.89 4.40 0.00 1.91 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.36 0.00 0.00 0.00 0.00 0.00 2.20 2.32 0.00 11 G 10.15 3.32 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 0.00 12 A 8.24 3.67 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 13 V 8.07 3.64 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 0.82 0.00 0.00 0.91 0.00 0.00 14 R 7.97 3.89 0.00 1.89 1.96 0.00 3.17 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 15 E 8.11 3.97 0.00 2.26 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 2.36 2.46 0.00 16 H 7.96 4.15 0.00 3.32 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.89 3.67 2.09 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 1.43 0.75 0.94 0.00 0.00 18 H 8.60 4.18 0.00 3.29 3.49 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.20 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 20 I 8.58 3.78 2.11 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.36 1.02 0.00 0.00 21 E 8.72 4.35 0.00 2.24 2.03 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 2.35 2.39 0.00 22 A 8.22 4.05 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 C 7.50 4.43 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 24 G 9.22 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 25 A 7.70 4.76 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 26 A 9.05 4.10 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 27 G 8.49 4.47 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 0.00 28 L 8.14 4.51 0.00 1.68 1.49 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 29 V 8.45 4.33 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 0.79 0.00 0.00 0.92 0.00 0.00 30 V 8.28 3.62 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 0.96 0.00 0.00 0.89 0.00 0.00 31 K 8.86 4.34 0.00 1.76 1.77 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.63 7.81 32 R 7.55 4.65 0.00 1.82 1.90 0.00 3.45 0.00 0.00 3.46 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.64 0.00 33 P 0.00 3.75 0.00 1.89 1.77 0.00 3.38 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.59 0.00 34 E 8.23 3.43 0.00 2.15 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 2.37 2.39 0.00 35 Q 8.41 4.06 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.64 0.00 36 L 8.72 4.03 0.00 1.74 1.70 0.93 -0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 37 N 7.63 4.95 0.00 2.75 2.89 0.00 0.00 6.82 7.49 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 38 E 8.52 4.65 0.00 2.09 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 2.27 2.27 0.00 39 V 7.29 4.70 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 0.76 0.00 0.00 1.14 0.00 0.00 40 D 8.92 4.77 0.00 2.62 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 59 Y 7.76 4.50 0.00 3.29 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 60 Q 8.21 3.46 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 7.74 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 61 F 8.54 4.21 0.00 3.15 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *63 E 8.17 4.31 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 2.32 2.30 0.00 64 P 0.00 4.46 0.00 2.10 2.08 0.00 3.76 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 1.97 2.14 0.00 65 L 8.47 4.19 0.00 1.80 1.79 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 66 R 7.91 4.01 0.00 2.05 2.03 0.00 3.33 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.71 0.00 67 E 8.80 4.13 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 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 D 8.96 4.81 0.00 2.57 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 0.00 120 L 9.69 4.80 0.00 1.49 1.61 0.61 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 121 T 8.54 4.66 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 1.25 0.00 0.00 122 I 8.21 4.65 1.88 0.00 0.00 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 1.36 0.77 0.91 0.00 0.00 123 K 8.98 4.02 0.00 1.77 1.76 0.00 1.93 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.41 7.81 124 G 8.84 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 0.00 125 L 7.80 4.84 0.00 1.77 1.60 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 126 D 8.72 4.44 0.00 2.69 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 0.00 127 E 7.82 4.31 0.00 1.93 1.88 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 2.29 2.41 0.00 128 P 0.00 4.69 0.00 1.99 2.02 0.00 3.69 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 2.05 2.13 0.00 129 F 9.28 4.70 0.00 3.08 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 0.00 130 T 7.74 4.50 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 1.10 0.00 0.00 131 G 8.73 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 0.00 0.00 0.00 132 V 8.25 4.36 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 1.01 0.00 0.00 0.88 0.00 0.00 133 F 9.04 4.75 0.00 1.65 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.02 4.59 1.88 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.56 0.91 0.00 0.00 135 R 9.06 3.85 0.00 1.96 2.03 0.00 3.22 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 136 A 8.21 4.20 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 P 0.00 4.60 0.00 1.98 2.01 0.00 3.77 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 2.07 2.07 0.00 138 H 9.16 5.00 0.00 3.28 3.24 0.00 5.59 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 I 8.54 4.37 2.11 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 0.72 0.94 0.00 0.00 140 L 9.04 4.10 0.00 1.57 1.68 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 141 E 7.76 4.78 0.00 1.99 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 2.23 2.27 0.00 142 A 8.64 5.04 1.22 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 0.00 143 G 8.99 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 0.00 0.00 0.00 144 E 8.94 4.02 0.00 1.95 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 2.31 2.32 0.00 145 N 8.13 4.70 0.00 2.90 2.93 0.00 0.00 5.91 7.68 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 0.00 146 V 7.65 4.40 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.96 0.00 0.00 147 E 9.12 4.36 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 2.28 2.26 0.00 148 V 8.43 4.12 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 0.88 0.00 0.00 0.96 0.00 0.00 149 L 9.35 4.42 0.00 1.76 1.71 0.88 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 150 S 7.82 4.91 0.00 4.00 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 0.00 151 E 8.78 5.32 0.00 2.03 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 2.21 2.36 0.00 152 H 9.63 4.55 0.00 3.22 3.11 0.00 5.98 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 N 9.65 4.12 0.00 2.48 2.63 0.00 0.00 7.28 7.98 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 0.00 154 G 8.53 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 0.00 155 R 7.83 4.73 0.00 1.92 1.90 0.00 3.08 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.85 0.00 156 I 8.47 4.33 1.94 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 1.47 0.52 0.98 0.00 0.00 157 V 8.83 4.72 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 1.10 0.00 0.00 1.29 0.00 0.00 158 A 7.83 5.04 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 A 9.85 5.20 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 0.00 160 K 9.25 4.92 0.00 1.73 1.60 0.00 1.58 0.00 0.00 1.72 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.35 7.81 161 Q 9.50 4.44 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.66 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 162 G 9.09 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 0.00 163 Q 8.47 4.19 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.87 0.00 0.00 0.00 0.00 0.00 1.16 1.32 0.00 164 F 8.01 5.33 0.00 3.10 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 0.00 165 L 8.59 5.13 0.00 1.65 1.10 0.83 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 166 G 8.93 4.80 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 0.00 167 C 8.71 5.21 0.00 1.94 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 0.00 168 S 8.93 4.62 0.00 4.12 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 0.00 169 F 6.71 4.44 0.00 2.42 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 0.00 170 H 8.84 4.71 0.00 3.28 3.40 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 P 0.00 4.86 0.00 2.35 2.37 0.00 3.59 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.93 0.00 172 E 8.10 4.29 0.00 1.97 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 2.21 1.85 0.00 173 L 7.32 4.26 0.00 1.60 1.67 0.69 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 174 T 7.21 4.39 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 1.23 0.00 0.00 175 E 8.51 3.94 0.00 1.94 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 2.27 2.21 0.00 176 D 7.85 4.40 0.00 2.48 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 H 8.71 4.97 0.00 3.27 3.34 0.00 5.68 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 R 8.50 4.01 0.00 2.11 2.06 0.00 3.21 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.86 0.00 179 V 7.72 3.48 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 1.12 0.00 0.00 0.06 0.00 0.00 180 T 8.05 4.10 4.55 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 1.37 0.00 0.00 181 Q 8.56 4.07 0.00 2.28 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 182 L 7.49 3.93 0.00 1.84 1.64 0.84 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 183 F 7.74 4.26 0.00 2.64 3.32 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 0.00 184 V 8.15 3.62 2.38 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 1.09 0.00 0.00 1.03 0.00 0.00 185 E 8.23 4.77 0.00 2.15 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 2.49 2.29 0.00 *187 V 7.84 3.86 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 0.96 0.00 0.00 0.22 0.00 0.00 188 E 8.32 3.91 0.00 2.18 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 2.31 2.42 0.00 189 E 8.29 3.87 0.00 2.00 1.94 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 2.29 2.31 0.00 190 Y 7.82 4.27 0.00 2.85 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 0.00 191 K 8.17 3.61 0.00 1.86 1.70 0.00 1.73 0.00 0.00 1.54 0.00 0.00 2.99 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.48 1.53 7.81 192 Q 7.35 3.72 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.24 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 193 K 7.52 4.19 0.00 1.73 1.71 0.00 1.60 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.31 7.81 194 A 7.25 4.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 L 7.62 4.64 0.00 1.54 1.63 0.90 0.77 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 0.00 196 V 7.56 3.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.89 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.