NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 41 D 4.6155 8.3493 120.5293 53.3524 42.4076 176.8815 42 E 4.6014 8.7592 127.3787 55.1610 32.8924 173.6247 43 T 4.3920 9.0090 117.5028 61.8103 70.3290 173.9411 44 P 4.2925 0.0000 0.0000 61.5609 32.0480 176.2910 45 A 3.8662 8.4044 125.9525 52.7946 18.6035 176.5294 46 S 4.4058 7.9074 115.6452 57.6950 65.3461 173.0614 47 Y 4.8330 8.1194 120.3789 57.6685 38.6014 177.5952 48 N 4.3067 8.2580 121.9288 56.5685 38.6395 176.0956 49 L 3.9155 8.0605 121.2254 58.3742 41.8522 178.8854 50 A 3.9482 7.8786 120.1912 54.6083 18.1336 179.8798 51 V 3.6040 7.5610 116.8223 66.2755 31.7287 177.8980 52 R 4.1378 8.0191 114.5731 57.4684 29.9180 177.5536 53 R 4.4557 7.5073 117.2414 56.2024 31.6506 175.9955 54 A 4.4921 7.5774 119.4317 53.1850 21.5520 177.7518 55 A 4.0312 8.5039 119.2080 55.0072 18.5804 177.8993 56 P 4.2268 0.0000 0.0000 65.6422 31.6121 177.4932 57 A 4.3656 8.0884 119.4621 53.0311 18.7895 176.8008 58 V 4.4075 7.3713 116.6858 62.3632 32.6695 175.6805 59 V 4.7432 8.7732 120.0495 59.7043 36.1580 173.6932 60 N 5.1941 8.7055 118.1968 51.6328 41.1063 174.3795 61 V 4.7295 8.1249 123.1457 61.5744 33.9027 174.1507 62 Y 4.9946 8.6617 123.2485 56.4981 43.2593 173.4575 63 N 5.7779 8.6904 117.5486 51.1889 41.5380 173.8903 64 R 4.0840 8.9204 128.2778 54.9467 30.3386 176.3705 65 G 3.7999 8.4128 118.1709 45.9318 0.0000 172.0727 *80 G 3.7393 7.6408 106.9004 45.9707 0.0000 172.6259 81 S 5.2679 7.8989 115.3716 56.9149 66.1836 173.5199 82 G 4.2155 8.3494 106.4302 45.5522 0.0000 172.2608 83 V 4.7186 8.5404 119.5513 60.7790 35.0375 174.5081 84 I 4.0122 8.6724 129.2746 61.8453 37.2924 176.3179 85 M 4.3267 9.2151 128.9533 57.0432 32.1366 176.7801 86 D 5.0491 7.7430 115.1317 51.0418 42.9846 176.5419 87 Q 4.0593 8.6083 117.4826 58.8042 28.7669 178.5016 88 R 3.8782 7.9779 116.1758 57.9240 30.4074 177.3519 89 G 3.9047 8.1154 106.4774 45.3177 0.0000 171.9976 90 Y 5.0337 7.9493 117.7038 56.8640 39.6745 174.7884 91 I 5.5637 8.7088 124.2649 58.5603 40.9878 174.5845 92 I 4.6045 8.3871 128.0137 61.3171 38.8028 175.0032 93 T 4.7548 9.0681 121.0327 61.4008 70.7146 172.0059 94 N 5.5025 8.5218 115.7863 51.4993 41.4868 175.9860 95 K 3.9998 8.9000 121.2724 60.0015 32.1821 179.4373 96 H 4.2651 7.8436 111.5110 57.4825 28.4048 176.3672 97 V 3.7921 7.1771 119.8198 64.2208 31.5492 176.2709 98 I 4.3095 7.5755 110.8249 60.1260 38.5078 175.4810 99 N 4.1505 8.1705 119.2562 55.0698 38.9102 174.4794 100 D 4.2742 8.6333 123.4717 55.1760 38.0078 174.0786 101 A 4.5294 7.7236 120.8388 51.0512 20.3745 177.6325 102 D 4.5024 9.0126 123.7687 57.2144 41.5059 177.2461 103 Q 4.5457 8.4126 118.5080 54.7817 33.5130 173.9402 104 I 4.7056 8.5314 125.5964 60.8202 38.9777 174.9462 105 I 5.0880 8.5920 126.5363 59.4764 41.1028 174.4717 106 V 5.0577 8.9710 125.5119 61.0411 34.6063 174.0202 107 A 5.2100 8.8434 128.8234 50.2507 21.5528 176.0163 108 L 4.6330 8.8342 122.8762 54.2737 42.7921 178.3523 109 Q 4.1266 8.4954 118.7696 58.3336 28.8489 177.3350 110 D 4.4847 7.9615 115.9498 53.4826 40.0162 176.7123 111 G 4.0766 7.7082 107.5806 45.5746 0.0000 174.7394 112 R 4.0234 9.0135 120.1386 56.3597 31.2145 176.0096 113 V 4.9844 7.7957 121.5269 61.2494 34.5806 174.3635 114 F 4.9716 9.3732 124.7709 55.7831 43.9216 172.9742 115 E 4.9800 8.9372 121.1178 54.8757 30.4963 175.1466 116 A 4.7573 8.8477 129.3660 50.9534 20.7545 175.7873 117 L 4.6164 8.7159 122.3225 52.9654 44.7530 175.4061 118 L 4.3518 8.5443 128.4321 54.9866 41.6253 176.3730 119 V 3.8412 9.0495 128.8079 63.6355 32.1468 176.6485 120 G 4.3679 7.1500 112.1107 45.1889 0.0000 170.7432 121 S 5.0098 7.9583 113.9470 56.2212 66.3058 173.4180 122 D 4.6434 8.9418 119.9534 52.0011 41.9329 175.8808 123 S 4.1647 8.7805 122.2415 61.1443 63.0460 176.0275 124 L 4.0166 8.1583 122.1970 58.0788 41.7502 177.4504 125 T 4.4119 7.8793 106.1181 60.8478 69.3207 174.3342 126 D 4.5401 7.9551 120.1862 55.5114 40.4102 172.6560 127 L 5.2352 7.2046 116.3041 53.0151 44.5246 175.3865 128 A 5.0924 8.7177 121.2905 50.6523 23.2741 175.2303 129 V 4.8141 8.9266 120.3732 61.1574 34.3640 174.9140 130 L 5.3139 9.3954 127.8130 53.0251 45.5944 175.2617 131 K 4.9308 9.1290 121.3140 54.9674 35.2628 174.9937 132 I 4.7851 8.1182 120.7959 58.4490 40.6829 175.6641 133 N 4.1869 8.7661 120.4926 52.6293 35.7267 173.5449 134 A 3.7075 8.2337 127.3634 53.3765 18.3833 177.1045 135 T 4.3987 8.0240 119.9240 62.1977 70.8892 174.6361 136 G 3.5819 8.4172 111.7841 48.2315 0.0000 173.2098 137 G 3.8029 8.8961 115.0577 45.5497 0.0000 170.2732 138 L 4.6391 7.8017 123.1711 52.1038 43.7612 174.9035 139 P 4.4501 0.0000 0.0000 62.6278 31.5433 175.0249 140 T 4.6981 8.0903 113.6984 59.4626 71.1416 174.1691 141 I 3.8386 8.4304 125.1865 60.2991 38.8012 173.7610 142 P 4.3217 0.0000 0.0000 63.1185 32.1641 175.3800 143 I 4.5139 8.3383 125.1317 59.3239 39.9145 175.0989 144 N 4.6948 8.0202 121.5190 51.6054 39.7771 174.3454 145 A 4.5983 8.6115 127.8478 53.6117 18.8357 177.9628 146 R 4.2448 8.0354 115.4673 57.3213 30.7280 176.7644 147 R 3.9436 7.8529 118.6327 56.0154 30.3998 175.5123 148 V 4.1447 8.1194 125.1182 60.2396 32.2139 173.1831 149 P 4.2621 0.0000 0.0000 63.4180 30.6777 175.7940 150 H 4.8708 8.6793 121.1591 54.1525 30.1869 175.3211 151 I 3.9521 8.1117 123.3389 62.4490 37.3121 176.5419 152 G 4.0884 8.7175 113.2618 45.0899 0.0000 173.7133 153 D 4.5031 7.8120 120.6751 54.1314 42.2631 176.1083 154 V 4.0854 8.3537 123.1492 63.1343 32.9782 175.0771 155 V 4.8648 8.6060 120.1095 59.6187 36.2529 174.2411 156 L 5.0687 9.0727 123.5463 52.9462 44.8768 175.2940 157 A 4.8308 8.9487 125.2860 50.5019 21.2687 175.7020 158 I 4.6085 8.5979 124.6364 59.2732 39.0607 173.8512 159 G 4.1794 8.6274 120.3257 45.0617 0.0000 172.2593 160 N 5.4374 8.4828 121.2132 51.9769 42.0487 173.5189 *165 G 3.8285 8.3239 111.5014 44.8386 0.0000 171.3634 166 Q 4.3267 8.5388 120.7161 56.2727 28.5781 175.7250 167 T 4.7031 8.2511 121.7833 61.7321 71.5285 173.7624 168 I 4.8390 8.3564 125.5999 59.8807 39.6358 174.8872 169 T 4.6616 8.4799 117.3504 59.9785 71.3514 173.3941 170 Q 4.8782 8.2535 123.9959 54.6965 31.8816 175.8354 171 G 3.9860 7.5488 109.3419 45.9297 0.0000 171.6475 172 I 5.1762 8.2694 113.9588 58.9990 42.3133 174.8202 173 I 4.1044 8.5729 123.6653 61.5657 37.1193 177.4642 174 S 4.1969 9.1480 124.6919 61.0340 63.1945 174.4679 175 A 4.7930 7.7251 118.9697 50.3371 23.0465 175.1213 176 T 4.9583 7.9916 106.9671 60.3801 68.5383 173.9974 177 G 3.5735 8.3326 113.6133 48.8791 0.0000 171.6886 *189 F 5.2190 7.5585 117.2253 57.2083 41.3510 173.5266 190 L 4.7950 8.6674 122.8610 54.7611 45.0751 175.9848 191 Q 4.6181 8.7417 126.7354 54.9110 30.3346 171.0426 192 T 5.1034 8.4825 115.7511 60.2366 71.1421 173.5795 193 D 4.6961 8.7026 125.6639 53.4464 40.4104 176.2401 194 A 4.2251 7.5556 122.4531 52.0538 19.0692 177.7012 195 S 4.1143 8.7908 118.4424 59.2105 63.3433 174.0145 196 I 4.6525 8.1937 125.3861 59.6693 39.9319 174.7005 197 N 4.7836 9.9293 121.7416 53.2969 41.6071 174.2974 198 H 4.3576 8.3019 113.7711 58.0410 29.2363 177.4203 199 G 4.0629 8.4024 108.5107 48.0289 0.0000 174.6575 200 N 4.5167 7.9962 116.5678 51.8674 37.8764 174.4599 201 S 4.3220 7.7629 114.9797 63.0323 62.1772 174.5796 202 G 3.9495 8.5052 113.5260 45.2401 0.0000 173.1182 203 G 4.2853 8.6285 109.2266 44.0790 0.0000 172.7365 204 A 4.8302 8.1847 120.0550 50.6400 21.8127 176.7177 205 L 5.0537 8.5653 120.3549 53.7557 45.1428 175.6785 206 V 4.8050 8.4432 119.6041 59.3621 36.0845 176.0790 207 N 5.3842 8.5815 119.9974 51.2004 38.8405 175.9629 208 S 4.1401 8.3938 111.7975 60.9654 63.0025 175.2426 209 L 4.1163 7.9173 119.8798 55.6370 41.7699 177.6799 210 G 3.9648 8.1299 106.3350 44.7679 0.0000 173.6275 211 E 4.0000 8.2924 121.0102 55.6460 29.8037 176.1601 212 L 4.2272 8.5181 127.0342 55.8926 42.6348 176.1960 213 M 4.3673 9.3319 126.7210 56.4659 34.5146 175.8225 214 G 4.3711 7.3400 103.7898 46.2779 0.0000 172.0342 215 I 4.9062 8.1196 120.6880 59.0907 39.6317 175.7743 216 N 4.7472 8.8065 125.4056 53.7289 39.2886 173.9727 217 T 4.8354 8.7399 120.7256 63.0221 72.4169 175.0937 218 L 4.3418 8.3500 129.3048 54.5767 44.8421 176.0698 *231 G 3.8952 8.6723 111.9220 44.6664 0.0000 171.4211 232 I 4.5079 7.4813 118.3670 58.9074 41.2799 174.8701 233 G 4.0824 8.9055 115.8760 45.0989 0.0000 172.3309 234 F 5.4869 8.4323 117.3843 55.4927 43.1210 174.0445 235 A 5.1055 9.0525 123.2173 50.4283 23.5765 174.4082 236 I 4.6249 8.3915 119.6691 58.7731 39.6877 174.1320 237 P 4.7194 0.0000 0.0000 63.1869 31.8449 177.4797 238 F 4.2020 9.2634 119.7625 60.0606 37.1886 178.0188 239 Q 3.5973 6.7158 118.0937 58.5519 28.5217 178.2743 240 L 3.8771 7.6373 120.4518 58.1913 42.3044 178.5105 241 A 4.0202 8.2053 120.8907 55.4613 18.2513 179.6923 242 T 3.8166 8.0150 114.1112 66.7711 68.5834 176.7276 243 K 3.8652 7.6396 119.6810 59.7515 32.2432 179.3011 244 I 3.6915 7.8812 119.8433 64.6266 36.7759 178.2015 245 M 3.9562 7.9238 118.0201 58.8854 32.0412 177.7047 246 D 4.3581 7.9304 118.8821 57.2579 40.7093 178.7859 247 K 3.9874 7.8991 119.2997 59.1171 32.3004 178.5326 248 L 4.1680 7.6870 117.7173 56.2404 42.1747 177.5386 249 I 4.2598 7.1781 120.6816 61.4532 36.9645 175.8399 250 R 4.2061 7.7327 120.7072 56.3005 29.4995 175.6153 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 41 D 8.35 4.62 0.00 2.68 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 42 E 8.76 4.60 0.00 2.11 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 2.17 2.38 0.00 43 T 9.01 4.39 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 44 P 0.00 4.29 0.00 2.00 1.95 0.00 3.66 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 45 A 8.40 3.87 1.13 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 0.00 0.00 46 S 7.91 4.41 0.00 3.71 3.59 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 47 Y 8.12 4.83 0.00 3.12 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 48 N 8.26 4.31 0.00 2.81 2.82 0.00 0.00 6.85 6.34 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 49 L 8.06 3.92 0.00 1.81 1.70 0.93 1.14 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 50 A 7.88 3.95 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 51 V 7.56 3.60 2.30 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 1.14 0.00 0.00 1.03 0.00 0.00 52 R 8.02 4.14 0.00 1.83 1.97 0.00 3.18 0.00 0.00 3.32 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 53 R 7.51 4.46 0.00 2.02 1.93 0.00 3.38 0.00 0.00 3.21 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 54 A 7.58 4.49 1.26 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 0.00 0.00 0.00 55 A 8.50 4.03 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 56 P 0.00 4.23 0.00 2.06 2.15 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 57 A 8.09 4.37 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 58 V 7.37 4.41 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 0.84 0.00 0.00 0.99 0.00 0.00 59 V 8.77 4.74 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 0.83 0.00 0.00 0.93 0.00 0.00 60 N 8.71 5.19 0.00 2.70 2.31 0.00 0.00 6.95 7.69 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 61 V 8.12 4.73 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 0.71 0.00 0.00 0.88 0.00 0.00 62 Y 8.66 4.99 0.00 2.92 2.78 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 63 N 8.69 5.78 0.00 2.69 2.71 0.00 0.00 7.25 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 64 R 8.92 4.08 0.00 1.88 2.00 0.00 3.62 0.00 0.00 3.23 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 65 G 8.41 3.80 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 *80 G 7.64 3.74 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 0.00 0.00 0.00 81 S 7.90 5.27 0.00 3.80 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.35 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 8.54 4.72 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 0.97 0.00 0.00 0.93 0.00 0.00 84 I 8.67 4.01 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 1.19 0.72 0.91 0.00 0.00 85 M 9.22 4.33 0.00 1.93 2.22 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.88 0.00 86 D 7.74 5.05 0.00 2.90 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 87 Q 8.61 4.06 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.12 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 88 R 7.98 3.88 0.00 2.15 1.98 0.00 3.40 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 89 G 8.12 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 0.00 0.00 0.00 90 Y 7.95 5.03 0.00 3.12 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 91 I 8.71 5.56 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.87 0.94 0.00 0.00 92 I 8.39 4.60 1.89 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 1.25 0.86 0.92 0.00 0.00 93 T 9.07 4.75 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 94 N 8.52 5.50 0.00 2.59 2.53 0.00 0.00 6.88 7.26 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 95 K 8.90 4.00 0.00 2.10 1.87 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.54 7.81 96 H 7.84 4.27 0.00 3.30 3.44 0.00 5.55 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 97 V 7.18 3.79 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 0.73 0.00 0.00 0.70 0.00 0.00 98 I 7.58 4.31 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 1.44 0.82 0.90 0.00 0.00 99 N 8.17 4.15 0.00 2.75 2.85 0.00 0.00 6.99 8.06 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 0.00 100 D 8.63 4.27 0.00 2.84 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 0.00 101 A 7.72 4.53 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 0.00 102 D 9.01 4.50 0.00 2.85 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 0.00 103 Q 8.41 4.55 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.96 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 104 I 8.53 4.71 2.06 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 1.36 0.69 0.93 0.00 0.00 105 I 8.59 5.09 2.08 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 1.19 1.34 1.07 0.00 0.00 106 V 8.97 5.06 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.95 0.00 0.00 107 A 8.84 5.21 1.47 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 0.00 108 L 8.83 4.63 0.00 1.99 1.68 1.11 0.58 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 0.00 109 Q 8.50 4.13 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.06 0.00 0.00 0.00 0.00 0.00 2.51 2.41 0.00 110 D 7.96 4.48 0.00 2.79 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 G 7.71 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 R 9.01 4.02 0.00 2.00 1.88 0.00 3.36 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 113 V 7.80 4.98 1.95 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 0.80 0.00 0.00 0.95 0.00 0.00 114 F 9.37 4.97 0.00 2.93 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 0.00 115 E 8.94 4.98 0.00 2.01 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 0.00 2.25 2.48 0.00 116 A 8.85 4.76 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 L 8.72 4.62 0.00 1.75 1.58 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 118 L 8.54 4.35 0.00 1.70 1.61 0.99 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 119 V 9.05 3.84 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 0.86 0.00 0.00 1.11 0.00 0.00 120 G 7.15 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 0.00 0.00 0.00 0.00 121 S 7.96 5.01 0.00 4.03 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 0.00 122 D 8.94 4.64 0.00 2.65 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 0.00 123 S 8.78 4.16 0.00 4.02 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 0.00 124 L 8.16 4.02 0.00 1.60 1.90 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 125 T 7.88 4.41 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 1.26 0.00 0.00 126 D 7.96 4.54 0.00 2.95 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 L 7.20 5.24 0.00 1.77 1.56 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 128 A 8.72 5.09 1.19 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 0.00 0.00 129 V 8.93 4.81 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 1.16 0.00 0.00 0.93 0.00 0.00 130 L 9.40 5.31 0.00 1.57 1.55 0.92 -0.23 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 0.00 131 K 9.13 4.93 0.00 1.73 1.68 0.00 1.09 0.00 0.00 0.85 0.00 0.00 2.79 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.21 1.27 7.81 132 I 8.12 4.79 1.52 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.48 0.85 0.00 0.00 133 N 8.77 4.19 0.00 2.87 2.94 0.00 0.00 6.02 7.26 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 0.00 134 A 8.23 3.71 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 0.00 135 T 8.02 4.40 4.33 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 1.27 0.00 0.00 136 G 8.42 3.58 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 0.00 0.00 0.00 137 G 8.90 3.80 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 0.00 138 L 7.80 4.64 0.00 1.78 1.53 0.83 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 139 P 0.00 4.45 0.00 2.22 2.21 0.00 3.66 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 140 T 8.09 4.70 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 141 I 8.43 3.84 1.94 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.66 0.96 0.00 0.00 142 P 0.00 4.32 0.00 2.24 1.95 0.00 3.55 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 143 I 8.34 4.51 1.87 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 1.27 0.87 0.96 0.00 0.00 144 N 8.02 4.69 0.00 2.65 2.51 0.00 0.00 7.09 8.17 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 0.00 145 A 8.61 4.60 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 0.00 146 R 8.04 4.24 0.00 1.83 2.17 0.00 3.28 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 147 R 7.85 3.94 0.00 1.74 1.90 0.00 3.32 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.60 0.00 148 V 8.12 4.14 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 0.86 0.00 0.00 0.95 0.00 0.00 149 P 0.00 4.26 0.00 2.13 2.11 0.00 3.77 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 150 H 8.68 4.87 0.00 3.45 3.19 0.00 5.63 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 I 8.11 3.95 1.89 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 1.37 0.50 1.02 0.00 0.00 152 G 8.72 4.09 0.00 0.00 0.00 0.00 0.00 0.00 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4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 193 D 8.70 4.70 0.00 2.65 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 A 7.56 4.23 1.18 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 0.00 0.00 0.00 195 S 8.79 4.11 0.00 3.75 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 0.00 196 I 8.19 4.65 1.84 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 1.52 0.83 0.93 0.00 0.00 197 N 9.93 4.78 0.00 2.63 2.66 0.00 0.00 7.11 7.77 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 0.00 198 H 8.30 4.36 0.00 3.17 3.39 0.00 6.00 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 0.00 199 G 8.40 4.06 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 0.00 0.00 0.00 200 N 8.00 4.52 0.00 2.94 3.10 0.00 0.00 5.84 7.64 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 0.00 201 S 7.76 4.32 0.00 4.06 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 0.00 202 G 8.51 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 0.00 0.00 0.00 203 G 8.63 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 A 8.18 4.83 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 0.00 205 L 8.57 5.05 0.00 1.96 1.63 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 206 V 8.44 4.81 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 0.70 0.00 0.00 0.88 0.00 0.00 207 N 8.58 5.38 0.00 2.93 2.92 0.00 0.00 6.64 7.23 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 0.00 208 S 8.39 4.14 0.00 4.17 4.02 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 0.00 0.00 0.00 209 L 7.92 4.12 0.00 1.79 1.74 0.99 1.01 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 0.00 210 G 8.13 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 0.00 0.00 0.00 211 E 8.29 4.00 0.00 2.02 1.67 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 2.24 2.18 0.00 212 L 8.52 4.23 0.00 1.54 1.40 1.01 0.92 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 0.00 213 M 9.33 4.37 0.00 1.91 2.17 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.71 0.00 214 G 7.34 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 0.00 0.00 0.00 0.00 215 I 8.12 4.91 1.89 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 1.27 1.11 0.91 0.00 0.00 216 N 8.81 4.75 0.00 2.81 2.72 0.00 0.00 6.33 7.10 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 0.00 217 T 8.74 4.84 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 1.19 0.00 0.00 218 L 8.35 4.34 0.00 1.46 1.44 0.69 0.68 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 *231 G 8.67 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 0.00 0.00 0.00 232 I 7.48 4.51 1.77 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.55 0.79 0.00 0.00 233 G 8.91 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 234 F 8.43 5.49 0.00 2.87 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 0.00 235 A 9.05 5.11 1.18 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 0.00 0.00 0.00 236 I 8.39 4.62 1.91 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 1.33 0.57 1.02 0.00 0.00 237 P 0.00 4.72 0.00 2.00 1.94 0.00 3.75 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 238 F 9.26 4.20 0.00 3.37 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 0.00 239 Q 6.72 3.60 0.00 1.74 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.95 0.00 0.00 0.00 0.00 0.00 1.16 1.88 0.00 240 L 7.64 3.88 0.00 1.71 1.82 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 241 A 8.21 4.02 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 0.00 242 T 8.01 3.82 4.46 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 1.21 0.00 0.00 243 K 7.64 3.87 0.00 1.95 1.83 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.61 7.81 244 I 7.88 3.69 1.87 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 1.40 1.30 0.94 0.00 0.00 245 M 7.92 3.96 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.43 0.00 246 D 7.93 4.36 0.00 2.94 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 0.00 247 K 7.90 3.99 0.00 1.74 1.94 0.00 1.78 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.45 7.81 248 L 7.69 4.17 0.00 1.81 1.70 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 249 I 7.18 4.26 1.83 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.54 0.81 0.00 0.00 250 R 7.73 4.21 0.00 1.86 1.84 0.00 3.05 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 * Residues marked with a * may have inaccurate shift predictions.