NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 L 4.2664 8.1849 120.6308 54.5877 43.8563 177.0074 7 V 3.5989 7.7178 112.4221 59.8226 31.8738 173.6076 8 P 4.6227 0.0000 0.0000 62.8388 33.4824 175.0991 9 T 5.2410 8.3491 111.2059 60.2469 71.5831 173.5926 10 V 4.5508 9.2129 122.6184 61.3666 35.0998 174.5636 11 I 5.7032 8.2071 126.1181 59.4960 39.3485 175.8661 *19 R 4.2838 8.1073 119.5139 56.5091 31.3869 174.8354 20 A 5.5148 7.9753 118.1237 50.3772 21.6496 176.8712 21 F 4.9875 9.8880 119.8108 55.5597 44.0379 174.3281 22 D 4.9756 8.6536 120.4857 52.6664 41.1944 177.2116 23 I 3.5830 8.4323 118.7228 64.6182 37.7953 177.4834 24 Y 4.2985 7.6364 116.9115 61.1739 37.5112 178.3959 25 S 4.2583 8.3807 113.2055 61.3286 62.8478 175.9195 26 R 3.9669 8.2583 121.3347 59.5948 29.9276 178.6121 27 L 4.1572 8.3173 118.6612 57.4803 41.4613 179.2198 28 L 4.4533 8.0692 121.8911 57.1615 41.7982 178.6474 29 K 4.1088 7.9958 118.8089 58.5326 31.5897 177.4760 30 E 4.5638 8.0428 117.8088 55.4770 29.5663 176.3743 31 R 4.0899 8.1781 117.3187 57.3060 27.9216 175.1796 32 I 4.9454 7.3086 119.8101 60.2668 38.7760 175.1414 33 V 4.6728 8.9064 126.8716 61.0832 34.6408 174.0777 34 F 5.5886 9.1210 124.8671 55.6968 41.8957 174.4960 35 L 4.9413 9.2762 124.5388 53.4087 44.5621 174.6494 36 N 5.2262 8.6510 124.4151 53.2887 41.8032 175.2386 37 G 3.8473 8.9520 115.6200 44.4244 0.0000 172.3419 38 E 4.2896 8.5588 117.9566 56.6837 30.6006 177.3918 39 V 4.0271 9.0649 124.7705 62.8032 32.6567 174.6077 40 N 5.4570 8.9407 125.0672 50.5627 41.3235 175.0236 41 D 4.3592 8.9142 117.4987 57.8207 40.8399 178.5259 42 H 4.1225 8.2703 118.2881 59.4540 29.9494 177.3972 43 S 4.1738 8.8358 116.1176 61.1426 62.9368 176.2272 44 A 4.0456 8.2547 124.7035 54.9677 18.0700 179.1405 45 N 4.2468 8.1115 115.3230 56.3862 39.0107 176.7799 46 L 3.8629 7.7080 121.5306 58.1940 42.0886 179.0850 47 V 3.5273 7.5151 117.6615 66.0973 31.3552 177.8405 48 I 3.6144 7.8656 119.2061 64.3824 36.9464 178.1070 49 A 4.0009 8.1875 121.5865 55.4376 18.2316 179.6837 50 Q 4.0711 8.1497 116.3795 59.1397 28.7196 179.1628 51 L 3.9564 8.2157 120.2578 57.7558 41.6708 179.4876 52 L 4.0055 8.2025 119.1679 57.6648 41.4652 179.3747 53 F 4.2237 8.4562 120.5057 61.4274 39.4355 177.0368 54 L 3.6607 8.4944 118.8841 57.7591 41.1875 179.1374 55 E 3.8293 8.0477 118.1481 59.3381 29.6047 178.5334 56 S 4.1644 7.6736 112.0028 61.2985 62.5090 175.7110 57 E 4.0941 7.6794 120.3777 57.8596 29.2995 177.2493 58 D 4.4595 7.4104 118.1503 52.5037 43.8189 173.3107 59 P 4.3385 0.0000 0.0000 64.8381 31.7466 177.1436 60 D 4.5761 8.4095 117.4464 55.5719 41.6859 177.3626 61 K 4.1825 7.9788 118.1295 55.8755 32.5775 177.0321 62 D 4.5166 8.6686 124.0100 55.1577 41.6581 176.1631 63 I 4.3159 8.3650 121.6184 59.5917 40.8449 174.3647 64 Y 4.9098 8.7595 123.3832 56.4914 40.4574 174.8493 65 F 5.4128 9.3258 129.2581 56.7547 40.8328 173.8510 66 Y 4.7550 9.0082 125.5950 57.5239 39.1891 174.8300 67 I 4.7267 8.9210 125.4437 59.5490 40.5758 174.6385 68 N 5.2560 9.3585 125.9337 52.6970 41.1979 172.2975 69 S 5.0520 9.2408 119.9181 56.0678 66.3365 172.4024 70 P 4.5687 0.0000 0.0000 63.0101 32.2053 177.1709 71 G 3.9977 7.2141 106.2050 47.2646 0.0000 174.1552 72 G 4.8849 8.5892 115.5878 47.0708 0.0000 173.8546 *74 V 4.1482 7.3536 119.9410 62.8180 33.2451 177.3255 75 T 3.7732 8.0921 107.6548 64.7506 68.5747 174.9377 76 A 4.1528 8.4141 125.5228 54.8959 18.4945 181.1903 77 G 3.6555 7.6895 102.9071 45.9345 0.0000 175.7860 *79 G 3.8703 8.2597 110.6352 45.2515 0.0000 176.2998 80 V 3.5795 7.5531 117.4859 65.7317 31.5582 177.1102 81 Y 4.1940 8.0230 118.2076 61.0191 38.8876 177.6655 82 D 4.6048 8.2746 119.2326 57.3938 40.9644 178.9931 83 T 4.3144 7.8290 114.8430 64.1321 68.2077 176.3083 *85 Q 4.1624 8.0810 121.8676 55.9436 30.9177 176.9477 86 F 4.3241 8.4695 120.0303 60.9986 39.5628 175.8400 87 I 3.8265 7.4419 112.5742 60.2397 38.1173 176.1677 88 K 3.9187 8.8224 122.4974 59.2757 32.0077 176.4663 89 P 4.4687 0.0000 0.0000 62.3013 32.2196 175.9898 90 D 4.3918 8.5610 122.6048 54.4509 42.2500 175.3855 91 V 4.4019 8.2839 123.4330 61.4487 33.2324 174.2772 92 S 4.9797 9.2577 124.8211 57.8067 63.8966 172.7703 93 T 5.1123 8.4957 116.8276 60.2421 71.5486 173.6855 94 I 5.0556 8.2410 124.0642 59.7817 41.2427 173.9191 95 C 4.8022 9.1512 129.3395 58.7517 32.5307 172.9059 96 I 4.5063 9.2163 120.3235 56.8079 35.7988 172.5617 97 G 3.7803 8.0342 119.5338 45.0855 0.0000 170.4817 98 L 5.3511 8.4983 120.0497 52.5106 46.9876 175.2555 99 A 5.0005 9.1841 126.0639 50.4199 21.7524 174.7771 100 A 4.6204 8.2134 122.1982 51.8210 22.2255 175.8582 101 S 3.5833 8.6847 117.0802 59.8711 62.6749 174.4957 *103 G 3.9348 7.8748 106.9860 45.5317 0.0000 175.0423 104 S 4.1918 7.6342 115.8240 60.4433 62.8934 176.2493 105 L 3.9332 7.8337 123.8642 58.1201 41.7082 178.7668 106 L 4.1869 7.8530 117.3988 57.4810 41.9488 178.6751 107 L 4.0268 7.9914 120.1513 58.3298 41.8917 179.1236 108 A 4.7281 7.6679 120.4449 53.7961 18.2809 178.6930 109 G 3.9262 7.4413 102.5630 43.7707 0.0000 173.9757 110 G 3.9688 7.2570 107.6411 45.2661 0.0000 173.7415 111 A 4.1353 8.7093 122.0360 52.0333 19.4266 177.2151 112 K 3.8393 8.7235 122.8010 58.3991 32.1716 177.2361 113 G 3.9986 9.2972 115.0622 45.4949 0.0000 173.3987 114 K 4.4823 8.2256 119.9493 56.1176 33.7610 175.6538 115 R 4.8882 8.0659 120.0542 54.8544 32.1016 175.3438 116 Y 5.6490 9.1381 121.1146 55.3721 42.6283 174.5122 117 S 5.1447 8.4048 113.6125 56.8355 66.2735 173.3438 118 L 4.8436 8.5399 125.3075 53.3559 42.3639 176.6017 119 P 4.2719 0.0000 0.0000 65.4261 31.3809 177.8120 120 S 4.6249 7.8570 111.1926 58.3026 63.3246 174.3730 121 S 4.5952 7.6410 117.1550 58.9484 63.5410 173.6209 122 Q 4.8128 8.8403 121.1806 54.3781 30.9734 174.9365 123 I 5.6663 8.3999 122.4784 58.2560 42.0931 174.1239 *125 I 3.8834 8.0556 115.7912 61.4212 39.1384 173.9692 126 H 4.9986 8.0662 117.4577 55.3319 30.4409 173.2464 127 Q 4.3784 8.3855 117.4016 54.6469 29.6668 174.3985 128 P 4.3634 0.0000 0.0000 62.6369 32.0055 176.0271 129 L 4.8574 7.7244 120.1868 53.2014 45.1106 177.2491 130 G 4.0009 8.0547 110.4633 46.8992 0.0000 172.6212 131 G 4.2055 8.4727 110.3443 43.4009 0.0000 172.1954 132 F 5.2949 8.4508 122.8535 56.0798 42.6524 174.2666 133 R 4.4928 8.6610 122.8589 53.1549 32.7209 177.1887 134 G 3.6149 7.8237 106.8657 45.3441 0.0000 172.5783 135 Q 4.1466 7.9245 118.3273 55.6173 30.6825 176.9790 136 A 4.0135 8.5483 124.2490 55.5454 18.5593 180.4459 137 S 4.0923 8.0447 113.1464 61.9335 62.9745 176.5307 138 D 4.5180 8.1120 121.0719 57.4407 40.5979 178.6893 139 I 3.8844 8.1102 120.5112 64.2313 37.0265 177.9893 140 E 3.9374 8.5120 120.3998 59.3979 29.5855 178.8743 141 I 3.6823 7.6298 119.2075 64.9926 37.1417 178.2708 142 H 4.1424 8.4469 116.6186 58.3568 28.4385 177.8043 143 A 3.9954 8.3696 123.1097 55.1910 18.2768 179.7302 144 K 3.8766 8.1998 117.1105 59.6167 32.1205 179.1310 145 N 4.2354 8.0544 116.9933 56.7235 38.9099 176.7486 146 I 3.6757 8.0582 120.3429 64.0140 37.9919 177.8254 147 L 3.9957 7.9456 119.9439 57.8050 41.3660 179.6109 148 R 3.9242 7.9722 117.9756 59.3345 29.9189 179.2818 149 I 3.6684 7.8539 119.5206 64.1566 37.2216 178.1847 150 K 3.8161 8.4141 120.9688 59.6018 31.9589 178.2439 151 D 4.2487 8.1777 118.0225 57.3592 41.1672 178.0655 152 R 3.8445 8.1894 119.4849 59.5460 30.0840 178.3739 153 L 3.9295 8.2142 119.0194 57.9601 41.5074 179.3541 154 N 4.4125 8.1263 116.1758 56.1101 38.4265 177.6976 155 K 3.9902 7.9531 120.0969 59.0380 32.1110 179.4260 156 V 3.5725 8.0888 119.0519 66.1809 31.3798 178.0593 157 L 4.0330 8.0343 118.2697 57.6935 41.4695 179.3137 158 A 3.9603 8.2443 120.8400 55.5356 18.1091 179.1409 159 H 4.0508 8.0095 115.2666 59.8471 30.0238 176.8444 160 H 4.3948 8.1546 116.9391 58.2706 29.1198 177.1558 161 T 4.7297 7.8131 112.5302 61.1516 68.9378 176.6951 162 G 3.9701 7.9819 108.9478 45.3154 0.0000 173.7806 163 Q 4.0954 7.7704 118.5990 55.1698 29.5933 176.4166 164 D 4.4957 8.2740 119.8056 53.9702 42.7768 177.3443 165 L 3.9497 8.5390 124.4420 58.6816 42.0860 179.4084 166 E 3.9863 8.1437 117.7504 59.6292 29.4059 179.3445 167 T 3.8993 7.8407 115.2488 66.6327 68.4806 176.4048 168 I 3.7764 7.7574 121.6622 64.4776 36.9597 178.4834 169 V 3.5949 7.8484 117.7190 66.1441 31.4357 177.7455 170 K 4.0892 7.9124 116.5912 59.4901 32.0410 178.3461 171 D 4.7008 7.9696 116.4344 55.0325 41.2214 177.0702 172 T 4.5131 7.3413 109.4983 61.2151 69.2047 175.6783 173 D 4.4201 8.1415 123.3855 57.0314 41.4180 175.8585 174 R 4.7549 7.4179 115.0092 53.6160 34.2600 174.1272 175 D 4.2921 8.5967 118.8056 55.0983 41.3726 176.3061 176 N 4.7387 8.1612 120.6309 51.9499 40.6778 173.6108 177 F 4.9234 8.9619 123.9429 55.7353 40.7652 175.9670 *180 A 4.4351 8.4961 122.8302 52.3866 20.3987 179.0859 181 D 4.4595 7.9302 115.3581 56.4785 39.4970 178.5080 182 E 4.0165 8.1792 119.5785 59.1718 29.5938 178.8473 183 A 4.0664 7.9780 120.4479 54.8077 18.3417 179.5139 184 K 4.1545 8.3581 119.3550 59.1946 32.1241 179.0636 185 A 4.0601 7.8632 119.8255 55.0335 18.3270 178.4948 186 Y 4.1120 8.0376 117.3440 58.7522 39.3039 176.3259 187 G 4.1209 7.7948 106.7871 46.0965 0.0000 175.2855 188 L 4.1364 8.4637 120.7882 56.6846 42.1763 176.5916 189 I 5.0178 7.4178 110.2768 59.3264 40.9125 174.8576 190 D 4.6138 8.7651 119.5880 55.7305 42.4605 177.2987 191 H 4.9678 7.6428 113.4007 54.1019 33.6493 172.6442 192 V 4.9015 8.5568 122.1137 61.3722 32.4368 174.7702 193 I 4.7409 8.7207 121.9131 59.2192 39.4805 175.9156 194 E 4.5510 9.0952 123.2529 56.1754 31.2475 175.9719 195 S 4.5132 7.6631 114.3077 56.3998 65.3891 174.0588 196 R 3.9293 8.8848 128.2010 59.6097 30.1414 177.2284 197 E 4.0198 8.3762 115.8276 59.3017 29.6590 176.6621 198 A 4.1618 7.4018 123.1451 52.5341 18.3331 176.9834 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 6 L 8.18 4.27 0.00 1.67 1.82 0.93 0.63 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 7 V 7.72 3.60 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 0.85 0.00 0.00 0.98 0.00 0.00 8 P 0.00 4.62 0.00 2.01 1.94 0.00 3.43 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 2.04 2.05 0.00 9 T 8.35 5.24 4.37 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 1.22 0.00 0.00 10 V 9.21 4.55 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 0.93 0.00 0.00 0.92 0.00 0.00 11 I 8.21 5.70 1.90 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 1.49 1.18 1.02 0.00 0.00 *19 R 8.11 4.28 0.00 1.94 2.10 0.00 3.31 0.00 0.00 3.50 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 20 A 7.98 5.51 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 21 F 9.89 4.99 0.00 2.83 2.97 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 22 D 8.65 4.98 0.00 2.78 2.86 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 23 I 8.43 3.58 1.69 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 1.22 1.26 0.21 0.00 0.00 24 Y 7.64 4.30 0.00 3.29 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 25 S 8.38 4.26 0.00 4.57 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 0.00 26 R 8.26 3.97 0.00 1.94 2.12 0.00 3.06 0.00 0.00 2.94 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 27 L 8.32 4.16 0.00 1.99 1.90 1.17 0.85 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 28 L 8.07 4.45 0.00 2.11 2.07 1.20 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.00 4.11 0.00 1.87 2.08 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.51 7.81 30 E 8.04 4.56 0.00 2.24 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 2.37 0.00 31 R 8.18 4.09 0.00 2.11 2.00 0.00 3.09 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 32 I 7.31 4.95 2.17 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 1.36 1.42 0.80 0.00 0.00 33 V 8.91 4.67 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 1.12 0.00 0.00 0.94 0.00 0.00 34 F 9.12 5.59 0.00 2.96 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 35 L 9.28 4.94 0.00 2.14 1.56 1.03 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 36 N 8.65 5.23 0.00 2.76 2.62 0.00 0.00 7.30 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 37 G 8.95 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 0.00 0.00 0.00 38 E 8.56 4.29 0.00 1.89 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 39 V 9.06 4.03 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 1.00 0.00 0.00 0.99 0.00 0.00 40 N 8.94 5.46 0.00 2.86 2.90 0.00 0.00 6.56 8.16 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 41 D 8.91 4.36 0.00 2.73 2.79 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 0.00 0.00 0.00 42 H 8.27 4.12 0.00 3.19 3.51 0.00 5.67 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.84 4.17 0.00 4.12 4.16 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 44 A 8.25 4.05 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 45 N 8.11 4.25 0.00 3.04 2.79 0.00 0.00 6.83 5.95 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 46 L 7.71 3.86 0.00 1.92 1.62 0.85 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.52 3.53 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 0.65 0.00 0.00 1.06 0.00 0.00 48 I 7.87 3.61 2.00 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 1.44 0.66 0.90 0.00 0.00 49 A 8.19 4.00 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 50 Q 8.15 4.07 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.64 0.00 51 L 8.22 3.96 0.00 1.77 1.65 0.70 0.57 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 52 L 8.20 4.01 0.00 1.89 1.78 0.95 1.31 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 53 F 8.46 4.22 0.00 3.15 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 54 L 8.49 3.66 0.00 1.76 1.63 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.05 3.83 0.00 1.89 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 0.00 2.26 2.23 0.00 56 S 7.67 4.16 0.00 3.91 3.97 0.00 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 0.00 0.00 1.23 0.00 0.00 *85 Q 8.08 4.16 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.07 0.00 0.00 0.00 0.00 0.00 1.81 1.95 0.00 86 F 8.47 4.32 0.00 3.03 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 87 I 7.44 3.83 1.86 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.77 1.05 0.00 0.00 88 K 8.82 3.92 0.00 1.75 1.82 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.45 7.81 89 P 0.00 4.47 0.00 1.83 2.11 0.00 3.52 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.17 0.00 90 D 8.56 4.39 0.00 2.70 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 91 V 8.28 4.40 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 1.08 0.00 0.00 0.84 0.00 0.00 92 S 9.26 4.98 0.00 4.00 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 93 T 8.50 5.11 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 1.36 0.00 0.00 94 I 8.24 5.06 1.20 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.47 0.92 0.00 0.00 95 C 9.15 4.80 0.00 3.01 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 96 I 9.22 4.51 2.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.07 1.18 0.00 0.00 97 G 8.03 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 98 L 8.50 5.35 0.00 1.71 1.48 1.06 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 99 A 9.18 5.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.21 4.62 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 0.00 101 S 8.68 3.58 0.00 4.04 4.08 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 0.00 137 S 8.04 4.09 0.00 3.90 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 0.00 138 D 8.11 4.52 0.00 2.99 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 0.00 139 I 8.11 3.88 2.05 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 1.46 0.91 0.96 0.00 0.00 140 E 8.51 3.94 0.00 2.04 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 2.32 2.37 0.00 141 I 7.63 3.68 2.06 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 1.52 0.96 0.83 0.00 0.00 142 H 8.45 4.14 0.00 3.25 3.32 0.00 5.82 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 0.00 143 A 8.37 4.00 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 0.00 144 K 8.20 3.88 0.00 1.94 1.86 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.55 7.81 145 N 8.05 4.24 0.00 2.74 2.73 0.00 0.00 6.86 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 I 8.06 3.68 1.87 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 1.52 1.05 0.99 0.00 0.00 147 L 7.95 4.00 0.00 1.92 1.69 0.92 0.96 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 0.00 148 R 7.97 3.92 0.00 2.02 1.96 0.00 3.10 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 149 I 7.85 3.67 1.98 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 1.38 0.76 0.88 0.00 0.00 150 K 8.41 3.82 0.00 1.82 2.01 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.44 7.81 151 D 8.18 4.25 0.00 2.89 2.86 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 0.00 152 R 8.19 3.84 0.00 1.87 1.99 0.00 3.10 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 153 L 8.21 3.93 0.00 1.83 1.66 0.89 0.55 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 0.00 154 N 8.13 4.41 0.00 2.96 2.87 0.00 0.00 7.02 7.75 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 0.00 155 K 7.95 3.99 0.00 1.97 1.84 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.53 7.81 156 V 8.09 3.57 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 0.79 0.00 0.00 0.80 0.00 0.00 157 L 8.03 4.03 0.00 1.92 1.77 0.95 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 158 A 8.24 3.96 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 0.00 159 H 8.01 4.05 0.00 3.18 3.59 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 H 8.15 4.39 0.00 3.27 3.53 0.00 5.70 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 0.00 161 T 7.81 4.73 4.32 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 1.33 0.00 0.00 162 G 7.98 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 7.77 4.10 0.00 1.90 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.81 0.00 0.00 0.00 0.00 0.00 1.93 1.60 0.00 164 D 8.27 4.50 0.00 2.66 2.86 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 0.00 165 L 8.54 3.95 0.00 1.75 1.67 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 166 E 8.14 3.99 0.00 2.09 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 2.40 2.46 0.00 167 T 7.84 3.90 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 0.00 168 I 7.76 3.78 2.07 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.52 0.95 0.00 0.00 169 V 7.85 3.59 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 0.83 0.00 0.00 1.05 0.00 0.00 170 K 7.91 4.09 0.00 1.95 1.89 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.75 7.81 171 D 7.97 4.70 0.00 2.84 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 T 7.34 4.51 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 1.23 0.00 0.00 173 D 8.14 4.42 0.00 2.64 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 0.00 174 R 7.42 4.75 0.00 1.78 1.78 0.00 3.29 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 175 D 8.60 4.29 0.00 2.57 2.21 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 0.00 176 N 8.16 4.74 0.00 2.67 2.61 0.00 0.00 7.19 7.55 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 0.00 177 F 8.96 4.92 0.00 2.92 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 *180 A 8.50 4.44 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 0.00 181 D 7.93 4.46 0.00 2.91 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 0.00 182 E 8.18 4.02 0.00 2.05 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 2.42 2.40 0.00 183 A 7.98 4.07 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 0.00 184 K 8.36 4.15 0.00 1.89 2.01 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.43 1.28 7.81 185 A 7.86 4.06 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 Y 8.04 4.11 0.00 3.12 3.16 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 0.00 187 G 7.79 4.12 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 0.00 188 L 8.46 4.14 0.00 1.91 1.77 0.91 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 189 I 7.42 5.02 1.99 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 1.43 0.94 0.92 0.00 0.00 190 D 8.77 4.61 0.00 2.20 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 H 7.64 4.97 0.00 3.16 3.23 0.00 5.60 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 0.00 192 V 8.56 4.90 2.14 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 0.91 0.00 0.00 0.97 0.00 0.00 193 I 8.72 4.74 1.85 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.83 1.02 0.00 0.00 194 E 9.10 4.55 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.32 0.00 195 S 7.66 4.51 0.00 3.81 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 0.00 196 R 8.88 3.93 0.00 1.77 1.93 0.00 3.27 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 197 E 8.38 4.02 0.00 1.99 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 2.31 2.31 0.00 198 A 7.40 4.16 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.