NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3954 8.3049 120.3493 55.0810 33.3133 175.0350 2 M 4.0986 8.4272 122.7140 54.3375 30.2913 172.2748 3 E 3.8986 9.2441 121.9537 57.0660 31.5198 177.4458 4 Q 4.3452 8.3775 121.4419 54.7946 31.1075 177.0563 5 V 3.3963 8.4349 123.9818 66.5561 31.5629 178.2683 6 C 4.1671 8.0876 113.2072 61.1941 29.1623 175.5491 7 D 4.1886 7.6911 121.0477 57.0173 40.4466 178.6417 8 V 3.1691 7.3675 117.9428 65.5361 31.4051 176.6671 9 F 4.7966 7.8197 115.7613 56.9112 39.1700 176.5604 10 D 3.9722 7.0682 117.5393 55.1687 38.0711 171.4052 11 I 4.7417 7.9057 121.7025 59.8092 39.7398 175.0319 12 Y 5.3044 9.2710 124.3859 56.0691 42.0868 174.3807 13 A 5.5875 9.2010 120.8342 50.7176 22.8716 175.1864 14 I 5.4638 8.8314 119.3206 60.0738 41.5532 173.8213 15 C 4.9457 9.3366 122.9961 57.4582 33.7353 172.3359 16 A 4.6818 8.3519 119.7210 50.7887 21.1603 175.2857 17 C 5.3652 8.7975 120.9805 58.4887 31.6574 173.6670 18 C 5.4628 9.1112 117.6229 55.6723 33.2046 172.3416 19 K 5.0102 8.7129 118.0178 55.1062 32.8919 177.3156 20 V 4.1042 8.3142 124.4984 62.5466 32.4522 176.7339 21 E 4.2869 8.6462 126.7936 55.9660 27.7470 176.5290 22 S 4.3465 7.6976 115.5477 55.8067 61.5068 171.4397 23 K 3.8141 8.2597 123.0142 57.7132 32.1181 176.3677 24 N 4.2910 8.8878 120.3833 54.2307 37.1906 174.1894 25 E 4.2886 7.9996 116.5934 57.1528 30.2497 178.3681 26 G 3.6923 8.1182 107.3777 48.2270 0.0000 173.7578 27 K 4.3246 7.1760 118.0206 54.3231 32.9127 175.9220 28 K 3.7941 8.2337 119.5656 57.9645 32.3275 177.1215 29 N 4.3688 8.6999 113.4950 53.9603 35.5681 174.0117 30 E 4.1163 7.2863 119.6231 55.0569 30.5152 175.8713 31 V 4.0328 7.7426 125.0254 61.5440 32.9043 174.9321 32 F 5.0131 8.1808 124.0993 56.0324 42.1829 173.8162 33 N 4.8755 9.0315 119.6450 52.1222 39.9603 175.1075 34 N 4.7154 8.8786 115.0299 56.6691 38.5617 176.2027 35 Y 4.8302 8.2491 116.6275 58.5621 39.0689 176.2961 36 T 3.7598 8.6274 117.2538 66.3470 68.6208 173.5408 37 F 5.0336 7.6753 119.9766 56.1718 38.6152 175.3958 38 R 4.9847 8.3767 119.6419 55.5571 32.8814 174.8532 39 G 4.1146 8.9838 109.3940 47.1354 0.0000 173.8833 40 L 4.5689 8.7150 126.4827 56.1192 43.1282 177.1326 41 G 4.0927 7.5098 103.3516 45.1733 0.0000 170.9176 42 N 5.5318 9.2686 118.1474 52.5446 42.6282 174.6290 43 K 3.5402 10.7800 126.8580 57.9281 30.0669 175.7431 44 G 3.9301 8.2297 101.2591 46.2300 0.0000 173.0557 45 V 4.3156 7.1857 112.2620 59.4668 35.7380 174.1233 46 L 3.8195 7.8597 120.0691 53.9354 41.5099 175.2854 47 P 4.0659 0.0000 0.0000 65.4878 31.6542 177.4460 48 W 3.7184 6.9190 114.8803 55.2104 30.1038 176.7503 49 K 3.9290 8.8718 121.1221 57.4407 30.3947 178.1426 50 C 4.8621 8.8681 114.6359 56.1836 33.6238 174.7433 51 N 5.0667 8.6395 118.7808 51.4868 40.6696 174.8566 52 S 4.1295 9.0881 125.1365 61.9768 63.0378 176.6570 53 L 3.9112 7.7822 121.8577 58.4005 41.7839 178.5544 54 D 4.5631 8.6398 117.9119 57.5423 40.9822 178.0835 55 M 4.0809 8.2996 119.0149 58.4386 32.2819 177.8925 56 K 3.8109 8.4194 120.2904 59.7181 32.1786 178.0135 57 Y 3.6954 8.1980 119.6817 60.4853 38.7339 177.4370 58 F 3.9244 8.4260 121.7896 61.7174 39.3637 176.8841 59 C 3.8253 8.4519 116.1647 62.4844 27.7590 175.8661 60 A 3.7669 7.7852 122.3496 55.1102 17.7107 179.8667 61 V 3.0363 6.8957 115.3707 66.0933 31.7054 178.0342 62 T 3.3566 6.7966 106.6568 63.0102 68.6259 174.5669 63 T 4.3841 7.0893 110.1976 61.7264 70.7179 174.1310 64 Y 4.0140 7.4579 124.3289 57.5256 39.1791 175.0894 65 V 3.3201 6.8458 125.0203 60.6044 34.9973 174.4080 66 N 4.3936 5.7700 121.7721 50.5981 39.7368 174.2687 67 E 3.9154 8.5116 125.7673 59.3195 29.4744 178.9205 68 S 4.3456 7.7495 111.6367 60.1519 63.1555 175.3870 69 K 4.4938 8.0775 121.5550 56.8103 32.5073 177.4560 70 Y 4.2549 8.2734 121.1769 60.9617 38.7901 177.5415 71 E 3.7426 8.2055 118.9777 59.4391 29.7033 179.5502 72 K 3.9214 7.9924 118.8743 59.5261 32.3640 178.7213 73 L 3.8822 7.5243 119.1835 57.3786 41.4170 179.2436 74 K 3.5227 7.9115 119.9661 59.6167 32.0290 177.8731 75 Y 4.0358 7.9603 119.7199 60.7362 38.5841 178.0682 76 K 3.7250 7.9569 120.0448 59.7778 32.3726 178.9941 77 R 3.7387 7.9465 118.1051 59.2381 29.9477 178.9719 78 C 4.0977 8.2992 116.9648 62.6761 28.3356 175.6418 79 K 3.6063 7.8046 121.2422 59.8072 31.3638 177.9257 80 Y 3.9444 7.7272 118.2897 60.5609 38.8025 177.3421 81 L 4.2537 7.7206 116.3726 53.6174 43.1342 176.4489 82 N 4.1362 7.6902 115.0352 54.2802 35.9989 172.6762 83 K 4.6433 8.0149 117.3533 55.6479 35.6750 177.0864 84 E 4.5199 8.5122 115.0949 57.7570 32.3217 174.7548 *96 K 3.9748 7.5891 117.9522 57.0142 33.1323 172.5301 97 K 3.6136 8.5371 119.7438 56.2714 29.1248 175.0146 98 L 3.9348 8.0596 123.8741 55.3309 42.7461 175.5490 99 Q 4.7452 8.5295 122.9292 54.2501 33.7410 174.2278 100 N 5.3905 8.6396 118.0466 52.5794 41.3701 173.9808 101 V 4.8996 8.8184 119.6814 61.2743 34.6856 174.5204 102 V 4.9923 8.7704 120.1553 59.5575 35.1638 174.5564 103 V 4.9584 8.9169 125.6678 61.2721 33.9116 174.2442 104 M 5.2456 9.2306 124.6955 53.3256 35.2980 174.9778 105 G 4.0105 9.0310 107.7298 45.9648 0.0000 174.9569 106 R 4.1754 8.5506 121.0464 59.7024 30.1224 178.9491 107 T 3.9325 8.0348 114.9855 66.9892 68.0468 176.3923 108 S 4.1151 8.1099 116.3053 61.4523 62.3723 176.4518 109 W 4.2002 8.3813 130.9579 60.5481 30.2032 177.8643 110 E 4.0741 8.3650 118.0877 58.8043 29.0638 178.5208 111 S 4.2954 7.8085 111.7062 58.3575 63.4478 173.8703 112 I 4.1773 6.5038 123.5135 59.2082 38.2028 174.0100 113 P 4.1395 0.0000 0.0000 62.3048 31.9958 177.1903 114 K 3.6684 8.6012 122.9660 59.3292 32.1321 178.7675 115 K 4.0087 7.6957 116.3715 58.7289 32.6298 177.2180 116 F 5.0285 8.0077 117.6536 57.5566 40.1926 175.4320 117 K 4.1366 7.4892 120.9389 54.7644 32.4698 175.0107 118 P 4.8952 0.0000 0.0000 61.3749 32.7065 175.7931 119 L 4.1926 9.2285 119.0124 54.3404 40.5442 177.7227 120 S 4.1915 8.7302 118.2567 59.7229 63.4177 173.9276 121 N 4.5519 8.9006 118.6030 54.1467 35.9696 174.0863 122 R 4.8548 7.3524 113.4395 54.6436 34.7925 175.4895 123 I 4.1436 8.6310 124.2112 60.9348 38.0680 174.7974 124 N 5.0825 8.8379 125.8553 52.6023 40.1767 174.4950 125 V 4.7273 8.9725 123.9297 61.1339 34.6428 174.0114 126 I 4.8805 8.6791 128.9517 59.5261 39.8189 174.4963 127 L 5.0553 8.7867 126.9875 53.7274 43.2645 175.6380 128 S 4.5950 8.8538 116.4928 57.9195 65.7917 175.4051 129 R 4.4795 8.7745 122.6285 56.9406 32.3742 177.3476 130 T 4.2119 7.9619 106.3967 62.5778 69.5608 174.5576 131 L 5.0033 8.0567 121.4688 52.7318 44.5361 175.4387 132 K 4.8012 8.5782 119.8778 53.7717 35.9688 177.3494 133 K 3.9186 8.7098 118.7830 60.3768 32.1043 178.8646 134 E 4.1136 8.1586 117.2808 58.6404 29.4966 177.1872 135 D 4.5442 8.3375 117.5001 54.7169 41.3561 176.1824 136 F 4.8687 7.9795 117.9234 55.6724 41.3389 174.8944 137 D 4.6179 8.2777 121.5845 55.6885 41.7994 176.7577 138 E 4.3303 8.1421 117.4332 56.0224 30.1796 176.8901 139 D 4.5803 8.2955 120.5781 53.3909 39.5995 175.2050 140 V 4.6397 7.2765 115.2893 59.4310 36.6136 173.4103 141 Y 4.5010 8.7999 119.9810 56.5237 39.9991 175.0051 142 I 4.8773 8.1885 123.9426 59.5049 40.0323 175.0212 143 I 4.7685 8.5895 118.5173 59.4987 40.9523 175.1498 144 N 5.2526 8.8280 119.7656 51.8916 38.1363 174.4998 145 K 4.6672 7.4178 117.6820 54.7830 36.5823 177.3526 146 V 3.6264 8.3101 121.1794 65.9463 31.8777 178.1381 147 E 3.9956 8.2018 119.0858 59.5922 29.0822 178.9630 148 D 4.3256 7.7897 118.9864 56.9005 40.8106 178.3457 149 L 3.8519 7.8005 121.1113 58.2250 42.0697 179.0626 150 I 3.3348 7.6267 119.0991 64.2845 36.8379 178.4142 151 V 3.5106 7.1683 117.8724 65.7835 31.6899 177.4509 152 L 3.9919 8.1042 120.4314 58.2332 41.8818 178.9442 153 L 3.9279 8.2257 119.2971 57.6844 41.2392 179.7938 154 G 3.7816 7.8172 104.6020 46.9341 0.0000 174.9147 155 K 4.4368 7.8407 118.3553 55.7107 32.9415 176.3560 156 L 4.6851 6.9744 118.5173 53.1361 43.6795 175.4043 157 N 5.1761 8.6652 117.4074 51.4445 39.6311 174.0076 158 Y 4.3685 7.7543 119.6249 56.7998 40.2328 172.4992 159 Y 4.4509 9.2272 122.0108 58.1847 38.1341 174.9965 160 K 4.8832 9.2255 116.2632 54.6618 37.4302 174.3818 161 C 5.0069 9.0119 122.9664 57.7219 33.8220 172.3835 162 F 5.4352 9.5526 125.4006 55.8757 41.8146 174.7303 163 I 4.5256 9.2053 126.0550 60.1207 37.3877 175.7541 164 I 4.4576 8.5202 120.3081 59.1985 38.2396 177.9341 165 G 2.5876 8.4904 112.9073 46.4273 0.0000 173.7190 166 G 4.1574 7.4997 109.2279 43.3403 0.0000 173.7862 167 S 4.3812 8.6655 118.7416 61.4843 62.9266 177.0800 168 V 3.5967 7.7613 121.2488 65.6139 31.3389 178.0310 169 V 4.0964 7.5696 118.6871 65.8084 31.6071 177.0885 170 Y 4.4427 7.9976 116.8979 61.3984 37.7912 178.3897 171 Q 3.9348 8.2876 120.4267 59.5586 28.9450 178.8083 172 E 4.0423 8.2398 117.9475 59.2683 29.7064 178.7623 173 F 3.9803 8.6061 118.3147 59.5389 39.0250 177.5607 174 L 4.2785 8.0240 118.9778 57.2245 41.4015 178.9028 175 E 3.9639 7.8306 117.1663 59.5588 29.4196 178.5914 176 K 4.1040 7.5815 114.9943 56.8337 32.1470 177.1569 177 K 3.9907 7.7278 117.3782 57.7999 29.5168 176.2953 178 L 4.4932 8.1351 116.5418 54.8428 41.7531 176.6429 179 I 4.6533 7.6695 120.4882 59.5722 38.4052 175.4400 180 K 4.2858 9.0460 128.0723 58.9967 33.3530 176.4412 181 K 4.7940 7.9108 116.5503 55.5012 37.0660 174.7351 182 I 4.8908 8.5931 122.9578 59.9982 40.2464 174.7470 183 Y 4.8413 9.5049 127.0745 57.0565 38.6326 174.1110 184 F 5.0001 9.2885 127.8717 56.6363 41.9167 174.2325 185 T 4.6143 8.4192 123.4968 62.2065 70.5002 174.0824 186 R 4.5501 8.1301 126.5868 54.6784 31.1874 175.9275 187 I 3.7922 8.4096 127.3653 59.7692 37.7594 176.7523 188 N 5.2708 8.2657 132.2877 51.8999 36.6126 173.5605 189 S 4.6713 7.6908 114.5922 57.9305 67.2956 174.6445 190 T 5.5061 7.8923 116.6484 61.4943 70.2875 173.4822 191 Y 4.9025 8.4390 121.6821 56.0334 42.7311 174.3934 192 E 4.2464 8.9380 121.7522 56.5153 30.3863 175.6762 193 C 5.0153 8.4703 122.0398 58.3504 32.3949 173.2647 194 D 4.9045 8.8119 118.4734 52.7435 41.2183 175.4131 195 V 4.4527 6.8796 112.0807 59.6885 35.9788 174.3249 196 F 5.4707 8.5297 120.7523 55.7249 43.3141 174.0432 197 F 4.6562 9.3563 123.1606 57.1583 40.0111 173.8313 198 P 4.4082 0.0000 0.0000 62.3271 31.7586 176.0287 199 E 3.9220 8.4041 121.6212 55.3145 29.1990 176.6647 200 I 3.7433 8.2426 128.1882 61.2891 37.8109 175.4056 201 N 4.5514 8.8059 124.0544 52.6063 38.8480 175.1019 202 E 4.1977 8.9579 127.5714 58.5821 29.8404 176.9743 203 N 4.7459 8.7446 114.3919 54.4305 39.9126 175.8210 204 E 4.1888 8.5198 117.9431 57.5548 30.3805 175.5450 205 Y 5.4997 7.6797 114.0221 56.1742 42.2104 175.2094 206 Q 4.7410 9.2156 119.7129 54.3864 32.3645 174.2975 207 I 4.0589 8.5907 124.0838 61.7653 37.1776 175.6996 208 I 4.5712 8.6775 118.5294 60.7515 39.4871 175.7487 209 S 4.7604 7.7329 118.1103 57.2128 67.5403 173.3594 210 V 4.8251 8.2005 116.1674 59.8040 34.8600 175.8946 211 S 4.6402 8.9758 121.5341 57.0968 65.1854 173.1957 212 D 4.3969 8.6854 119.1865 54.3711 41.5891 174.9620 213 V 4.4975 7.5323 121.5104 61.5672 33.5353 173.9873 214 Y 4.9852 8.9523 123.0839 56.8933 43.1263 173.8002 215 T 5.1502 8.4232 116.1831 62.1325 71.3504 174.2154 216 S 4.4394 9.1969 118.7917 58.6042 66.1129 173.9942 217 N 3.9661 9.5823 124.5850 54.7558 35.8738 173.1773 218 N 4.2163 8.2406 107.7836 54.1895 37.9987 172.9331 219 T 4.6847 7.3716 107.0850 60.9707 71.5575 172.6617 220 T 5.0003 8.3896 117.8007 61.5813 71.1307 173.0996 221 L 4.9116 8.6656 120.8093 56.2199 44.3368 173.1058 222 D 4.9060 7.6108 118.4760 52.1977 43.6917 173.2933 223 F 5.2400 8.8063 116.1978 55.6292 42.6453 174.6456 224 I 5.0555 8.9789 116.3603 59.1141 41.2027 174.2426 225 I 4.9149 8.5805 125.1282 60.0351 39.3468 174.6455 226 Y 4.7772 9.1371 125.5779 56.9402 40.2158 174.6677 227 K 5.0647 8.9046 122.2137 54.3429 36.2234 175.2411 228 K 4.1048 8.6466 128.8572 56.4680 32.3499 176.8376 229 T 4.1752 8.4597 118.8012 61.3505 69.9968 174.5166 230 N 4.4889 8.4759 118.4834 53.6986 38.7221 175.3682 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 1 M 8.30 4.40 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 2 M 8.43 4.10 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.69 0.00 3 E 9.24 3.90 0.00 2.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.62 0.00 4 Q 8.38 4.35 0.00 2.26 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.83 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 5 V 8.43 3.40 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 1.41 0.00 0.00 1.04 0.00 0.00 6 C 8.09 4.17 0.00 3.19 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 7 D 7.69 4.19 0.00 2.81 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.37 3.17 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 0.00 0.00 -0.32 0.00 0.00 0.27 0.00 0.00 9 F 7.82 4.80 0.00 3.19 3.09 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 10 D 7.07 3.97 0.00 2.79 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 11 I 7.91 4.74 2.02 0.00 0.00 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 1.26 0.78 0.97 0.00 0.00 12 Y 9.27 5.30 0.00 3.07 3.37 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 13 A 9.20 5.59 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 14 I 8.83 5.46 2.13 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.37 1.20 0.00 0.00 15 C 9.34 4.95 0.00 2.77 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.35 4.68 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.80 5.37 0.00 2.96 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 18 C 9.11 5.46 0.00 3.54 3.13 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 0.00 0.00 0.00 0.00 19 K 8.71 5.01 0.00 1.88 1.71 0.00 1.53 0.00 0.00 1.32 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.04 1.09 7.81 20 V 8.31 4.10 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 0.88 0.00 0.00 1.03 0.00 0.00 21 E 8.65 4.29 0.00 2.07 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 2.33 2.48 0.00 22 S 7.70 4.35 0.00 3.79 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 23 K 8.26 3.81 0.00 1.78 1.79 0.00 1.92 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.64 7.81 24 N 8.89 4.29 0.00 2.82 2.90 0.00 0.00 7.21 7.65 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 25 E 8.00 4.29 0.00 2.02 1.87 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 2.23 2.31 0.00 26 G 8.12 3.69 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 0.00 0.00 0.00 27 K 7.18 4.32 0.00 1.58 1.76 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.40 7.81 28 K 8.23 3.79 0.00 1.82 1.80 0.00 1.77 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.58 1.53 7.81 29 N 8.70 4.37 0.00 2.84 2.94 0.00 0.00 6.81 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 30 E 7.29 4.12 0.00 2.28 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 1.47 1.86 0.00 31 V 7.74 4.03 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 0.85 0.00 0.00 0.86 0.00 0.00 32 F 8.18 5.01 0.00 3.06 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 33 N 9.03 4.88 0.00 2.98 2.98 0.00 0.00 7.14 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.88 4.72 0.00 2.91 3.06 0.00 0.00 6.47 7.48 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 35 Y 8.25 4.83 0.00 2.98 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 36 T 8.63 3.76 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 0.94 0.00 0.00 37 F 7.68 5.03 0.00 3.32 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 38 R 8.38 4.98 0.00 2.00 1.89 0.00 2.43 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.70 0.00 39 G 8.98 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 40 L 8.71 4.57 0.00 1.80 1.81 1.44 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 41 G 7.51 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 42 N 9.27 5.53 0.00 2.81 2.52 0.00 0.00 7.19 6.06 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 43 K 10.78 3.54 0.00 1.88 1.80 0.00 1.89 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.33 7.81 44 G 8.23 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 45 V 7.19 4.32 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 0.66 0.00 0.00 0.94 0.00 0.00 46 L 7.86 3.82 0.00 1.21 0.24 0.70 0.52 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 47 P 0.00 4.07 0.00 2.11 2.29 0.00 2.20 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.78 0.00 48 W 6.92 3.72 0.00 2.83 1.74 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 49 K 8.87 3.93 0.00 1.83 1.66 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.42 7.81 50 C 8.87 4.86 0.00 3.07 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 51 N 8.64 5.07 0.00 2.72 2.76 0.00 0.00 7.02 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 9.09 4.13 0.00 3.91 3.94 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 53 L 7.78 3.91 0.00 1.73 1.65 0.76 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.64 4.56 0.00 2.90 2.90 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 55 M 8.30 4.08 0.00 2.25 2.19 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 2.56 2.52 0.00 56 K 8.42 3.81 0.00 1.81 1.94 0.00 1.65 0.00 0.00 1.51 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.41 7.81 57 Y 8.20 3.70 0.00 2.77 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 F 8.43 3.92 0.00 3.28 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 C 8.45 3.83 0.00 2.88 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 60 A 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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 69 K 8.08 4.49 0.00 2.34 2.08 0.00 2.00 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.49 1.69 7.81 70 Y 8.27 4.25 0.00 3.10 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 71 E 8.21 3.74 0.00 2.08 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 2.43 2.50 0.00 72 K 7.99 3.92 0.00 1.82 2.02 0.00 1.73 0.00 0.00 1.83 0.00 0.00 3.21 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.54 7.81 73 L 7.52 3.88 0.00 1.62 1.55 0.90 1.06 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 74 K 7.91 3.52 0.00 0.83 1.65 0.00 1.60 0.00 0.00 1.51 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.30 7.81 75 Y 7.96 4.04 0.00 3.10 3.11 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 76 K 7.96 3.72 0.00 1.94 1.86 0.00 1.62 0.00 0.00 1.42 0.00 0.00 2.88 0.00 0.00 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*96 K 7.59 3.97 0.00 1.78 1.86 0.00 1.79 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.43 7.81 97 K 8.54 3.61 0.00 1.85 1.89 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.25 1.41 7.81 98 L 8.06 3.93 0.00 1.56 1.37 0.23 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 8.53 4.75 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 100 N 8.64 5.39 0.00 2.95 3.14 0.00 0.00 6.22 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 0.00 101 V 8.82 4.90 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 0.82 0.00 0.00 0.53 0.00 0.00 102 V 8.77 4.99 2.23 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 0.76 0.00 0.00 1.10 0.00 0.00 103 V 8.92 4.96 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 0.91 0.00 0.00 0.81 0.00 0.00 104 M 9.23 5.25 0.00 2.13 2.15 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 2.68 2.62 0.00 105 G 9.03 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 0.00 106 R 8.55 4.18 0.00 2.08 2.02 0.00 3.18 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.89 0.00 107 T 8.03 3.93 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 1.21 0.00 0.00 108 S 8.11 4.12 0.00 4.07 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 0.00 109 W 8.38 4.20 0.00 3.55 3.35 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 0.00 110 E 8.37 4.07 0.00 2.04 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 0.00 2.64 2.74 0.00 111 S 7.81 4.30 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 I 6.50 4.18 1.64 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 1.23 0.65 0.84 0.00 0.00 113 P 0.00 4.14 0.00 1.55 1.66 0.00 3.65 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 1.95 1.94 0.00 114 K 8.60 3.67 0.00 1.68 1.71 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.41 7.81 115 K 7.70 4.01 0.00 1.73 1.71 0.00 1.30 0.00 0.00 1.40 0.00 0.00 2.40 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.68 0.21 7.81 116 F 8.01 5.03 0.00 3.08 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 0.00 117 K 7.49 4.14 0.00 1.53 1.40 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.82 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.33 1.01 7.81 118 P 0.00 4.90 0.00 2.40 2.42 0.00 3.91 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 119 L 9.23 4.19 0.00 1.78 1.78 1.16 1.11 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 0.00 120 S 8.73 4.19 0.00 4.01 4.03 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 0.00 121 N 8.90 4.55 0.00 2.86 2.91 0.00 0.00 6.76 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 0.00 122 R 7.35 4.85 0.00 1.86 1.82 0.00 3.13 0.00 0.00 3.13 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 123 I 8.63 4.14 1.83 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.65 0.84 0.00 0.00 124 N 8.84 5.08 0.00 2.77 2.84 0.00 0.00 6.46 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 0.00 125 V 8.97 4.73 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 0.97 0.00 0.00 0.75 0.00 0.00 126 I 8.68 4.88 1.30 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.25 0.80 0.00 0.00 127 L 8.79 5.06 0.00 1.59 1.62 1.13 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 128 S 8.85 4.60 0.00 3.93 3.69 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 0.00 129 R 8.77 4.48 0.00 1.81 1.93 0.00 3.26 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 130 T 7.96 4.21 4.25 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 1.23 0.00 0.00 131 L 8.06 5.00 0.00 1.84 1.70 0.70 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 132 K 8.58 4.80 0.00 1.92 1.70 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.36 7.81 133 K 8.71 3.92 0.00 1.87 2.04 0.00 1.46 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.49 7.81 134 E 8.16 4.11 0.00 1.98 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 2.32 2.40 0.00 135 D 8.34 4.54 0.00 2.59 2.43 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 0.00 136 F 7.98 4.87 0.00 2.87 3.05 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 0.00 0.00 0.00 137 D 8.28 4.62 0.00 2.71 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.14 4.33 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.58 0.00 139 D 8.30 4.58 0.00 2.64 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.28 4.64 1.62 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 0.53 0.00 0.00 0.33 0.00 0.00 141 Y 8.80 4.50 0.00 2.78 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 0.00 142 I 8.19 4.88 1.74 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.62 0.84 0.00 0.00 143 I 8.59 4.77 1.85 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 1.38 0.61 0.88 0.00 0.00 144 N 8.83 5.25 0.00 2.83 3.02 0.00 0.00 6.16 7.13 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 0.00 145 K 7.42 4.67 0.00 1.92 1.64 0.00 1.65 0.00 0.00 1.73 0.00 0.00 3.23 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.40 7.81 146 V 8.31 3.63 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.62 0.00 0.00 147 E 8.20 4.00 0.00 2.07 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 2.39 2.44 0.00 148 D 7.79 4.33 0.00 2.82 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 0.00 149 L 7.80 3.85 0.00 1.81 1.92 0.78 1.39 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 0.00 150 I 7.63 3.33 1.93 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 1.77 0.80 0.85 0.00 0.00 151 V 7.17 3.51 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 0.78 0.00 0.00 0.94 0.00 0.00 152 L 8.10 3.99 0.00 1.72 1.68 0.63 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 153 L 8.23 3.93 0.00 1.15 1.46 0.72 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 154 G 7.82 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 0.00 0.00 0.00 155 K 7.84 4.44 0.00 1.87 1.89 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.64 7.81 156 L 6.97 4.69 0.00 1.70 1.67 0.44 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 157 N 8.67 5.18 0.00 2.72 2.63 0.00 0.00 7.10 7.46 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 0.00 158 Y 7.75 4.37 0.00 3.17 2.90 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 0.00 159 Y 9.23 4.45 0.00 2.86 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 K 9.23 4.88 0.00 1.74 1.35 0.00 1.70 0.00 0.00 1.24 0.00 0.00 2.73 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.23 0.61 7.81 161 C 9.01 5.01 0.00 2.72 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 0.00 162 F 9.55 5.44 0.00 3.00 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 0.00 163 I 9.21 4.53 1.95 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.92 0.52 0.00 0.00 164 I 8.52 4.46 2.14 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.63 1.33 0.00 0.00 165 G 8.49 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 G 7.50 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 0.00 0.00 0.00 167 S 8.67 4.38 0.00 4.36 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 V 7.76 3.60 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 1.05 0.00 0.00 0.96 0.00 0.00 169 V 7.57 4.10 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 1.36 0.00 0.00 1.03 0.00 0.00 170 Y 8.00 4.44 0.00 3.04 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.29 3.93 0.00 2.33 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 172 E 8.24 4.04 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.11 0.00 173 F 8.61 3.98 0.00 3.41 3.28 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 0.00 174 L 8.02 4.28 0.00 1.91 1.78 0.72 0.82 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 0.00 175 E 7.83 3.96 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 2.36 2.58 0.00 176 K 7.58 4.10 0.00 1.63 1.80 0.00 1.53 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.45 7.81 177 K 7.73 3.99 0.00 1.97 1.97 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.62 7.81 178 L 8.14 4.49 0.00 2.07 1.96 0.74 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 179 I 7.67 4.65 2.10 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.01 1.05 0.00 0.00 180 K 9.05 4.29 0.00 1.56 1.29 0.00 1.46 0.00 0.00 1.34 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.39 7.81 181 K 7.91 4.79 0.00 2.19 1.57 0.00 1.91 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.66 1.69 7.81 182 I 8.59 4.89 1.92 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.39 0.99 0.00 0.00 183 Y 9.50 4.84 0.00 3.09 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 0.00 184 F 9.29 5.00 0.00 3.23 2.99 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 0.00 185 T 8.42 4.61 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 0.89 0.00 0.00 186 R 8.13 4.55 0.00 1.37 0.66 0.00 2.26 0.00 0.00 2.86 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.47 0.00 187 I 8.41 3.79 1.58 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 -0.36 0.53 0.00 0.00 188 N 8.27 5.27 0.00 2.71 2.86 0.00 0.00 7.05 7.15 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 0.00 189 S 7.69 4.67 0.00 3.71 3.90 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 0.00 190 T 7.89 5.51 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 1.27 0.00 0.00 191 Y 8.44 4.90 0.00 2.94 2.95 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 0.00 192 E 8.94 4.25 0.00 2.00 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 2.51 2.39 0.00 193 C 8.47 5.02 0.00 3.09 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 D 8.81 4.90 0.00 2.68 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 0.00 195 V 6.88 4.45 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 0.72 0.00 0.00 0.83 0.00 0.00 196 F 8.53 5.47 0.00 3.06 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 F 9.36 4.66 0.00 3.16 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 0.00 198 P 0.00 4.41 0.00 1.86 1.91 0.00 2.20 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.99 0.00 199 E 8.40 3.92 0.00 1.16 1.51 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 2.04 1.98 0.00 200 I 8.24 3.74 1.72 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.69 0.79 0.00 0.00 201 N 8.81 4.55 0.00 2.78 2.83 0.00 0.00 6.82 7.65 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 0.00 202 E 8.96 4.20 0.00 2.01 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 2.44 0.00 203 N 8.74 4.75 0.00 2.90 2.84 0.00 0.00 6.93 7.42 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 0.00 204 E 8.52 4.19 0.00 1.99 1.72 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 2.23 2.26 0.00 205 Y 7.68 5.50 0.00 2.90 2.99 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 0.00 206 Q 9.22 4.74 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.99 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 207 I 8.59 4.06 1.71 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 0.23 0.11 0.69 0.00 0.00 208 I 8.68 4.57 1.89 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 1.39 0.68 1.00 0.00 0.00 209 S 7.73 4.76 0.00 3.78 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 V 8.20 4.83 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 0.65 0.00 0.00 0.90 0.00 0.00 211 S 8.98 4.64 0.00 4.04 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 D 8.69 4.40 0.00 2.54 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 0.00 0.00 0.00 0.00 213 V 7.53 4.50 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 0.78 0.00 0.00 0.82 0.00 0.00 214 Y 8.95 4.99 0.00 2.83 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 T 8.42 5.15 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 216 S 9.20 4.44 0.00 3.83 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 0.00 217 N 9.58 3.97 0.00 2.88 2.90 0.00 0.00 6.99 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 N 8.24 4.22 0.00 2.85 2.92 0.00 0.00 7.00 7.70 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 0.00 219 T 7.37 4.68 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 220 T 8.39 5.00 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 1.18 0.00 0.00 221 L 8.67 4.91 0.00 1.40 1.48 0.68 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 222 D 7.61 4.91 0.00 2.71 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 223 F 8.81 5.24 0.00 2.78 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 0.00 224 I 8.98 5.06 1.62 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 1.38 0.83 0.77 0.00 0.00 225 I 8.58 4.91 1.88 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.91 0.73 0.00 0.00 226 Y 9.14 4.78 0.00 2.85 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 0.00 227 K 8.90 5.06 0.00 1.90 1.68 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.47 7.81 228 K 8.65 4.10 0.00 1.91 1.73 0.00 2.04 0.00 0.00 1.73 0.00 0.00 2.80 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.29 0.92 7.81 229 T 8.46 4.18 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 1.26 0.00 0.00 230 N 8.48 4.49 0.00 2.73 2.75 0.00 0.00 6.78 7.56 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 * Residues marked with a * may have inaccurate shift predictions.