NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 32 A 4.5058 8.2649 122.4604 51.8438 20.0712 176.4175 33 T 3.6785 8.6417 120.7601 63.1155 69.7084 172.0180 34 I 4.6472 8.7296 127.9466 59.8638 39.2396 174.5285 35 Y 4.5890 8.8135 125.9594 57.4718 39.5609 175.1427 36 A 4.9919 8.6832 124.4501 49.7269 20.7601 174.1300 37 P 4.5837 0.0000 0.0000 63.5436 32.2393 176.6279 38 T 4.4243 9.1232 117.7523 61.8422 70.2281 174.3041 39 V 4.1767 8.4026 126.5468 61.1508 32.5093 174.5700 40 R 4.4627 8.4749 126.8308 54.3497 31.3557 176.0310 41 V 4.1799 8.1905 123.2552 61.2155 32.5481 175.2544 42 T 4.0688 8.4029 124.7696 62.3777 68.7835 172.8297 43 P 3.9675 0.0000 0.0000 62.5895 32.0848 175.0634 44 N 4.2430 6.0313 120.3279 50.8629 39.7190 173.9743 45 P 4.0980 0.0000 0.0000 64.7072 31.5521 176.7123 46 A 4.5544 8.7704 120.6497 51.4754 19.1710 176.9067 47 W 4.7383 8.0873 118.4370 55.5395 29.7693 174.8213 48 P 4.3439 0.0000 0.0000 62.8263 31.2489 175.6398 49 Q 4.2280 8.6244 122.6365 55.8503 29.1959 175.4245 50 V 4.3480 8.1807 119.6682 59.7775 34.0861 175.7834 51 S 4.4188 7.8838 110.7916 57.6813 64.4265 173.8791 52 W 4.7372 7.3560 118.6008 56.4040 29.3332 174.7831 53 Q 4.8409 9.4119 116.3708 54.0080 32.1385 174.6004 54 L 5.1962 9.1882 125.1726 53.2173 45.1668 174.5186 55 L 4.9393 8.9062 128.8574 53.5124 43.9869 175.0875 56 V 4.6326 8.7125 127.7616 61.4289 31.9395 175.5551 57 A 4.3556 8.6394 130.3842 51.2891 19.4568 177.0441 58 K 4.0535 8.4510 119.0772 55.7360 32.5753 175.9308 59 P 4.7832 0.0000 0.0000 62.8941 32.1658 175.7617 60 S 4.9450 8.4797 116.8958 56.8534 66.0588 172.7340 61 A 4.6389 8.0896 119.7497 51.2904 21.5687 176.2688 62 A 4.0974 8.2012 122.5868 52.1592 19.1464 179.1056 63 R 3.9162 8.7943 119.9085 59.7328 29.7963 179.3323 64 I 3.6088 7.7152 116.9531 63.9069 37.3629 177.4107 65 I 4.0968 8.0376 120.7905 63.2773 37.1540 176.0432 66 D 4.5843 7.5572 118.1378 54.8845 41.4682 175.4560 67 S 5.0136 7.7079 111.1852 55.2326 66.7576 172.5421 68 P 4.8132 0.0000 0.0000 64.0123 31.9047 176.3250 69 R 4.4449 8.6143 120.1677 56.0959 31.7105 175.9899 70 I 4.4334 7.9453 121.4153 59.6596 39.2413 175.1201 71 N 5.2569 9.0110 125.3915 53.2635 40.2048 174.7354 72 V 4.7894 8.4950 121.0050 60.3600 35.2156 174.2204 73 R 5.3762 9.3499 125.8110 53.1686 29.4674 174.3244 74 P 4.1466 0.0000 0.0000 64.4454 32.1780 177.2360 75 T 4.7468 7.4151 107.2343 58.7756 71.9529 172.6884 76 P 4.2207 0.0000 0.0000 65.7599 31.3993 177.6558 77 G 4.0438 7.9716 104.3100 45.1194 0.0000 172.5728 78 E 4.6441 8.1724 119.9967 54.0792 32.7756 173.7364 79 L 5.2220 8.5033 125.0750 53.2595 44.5816 175.4793 80 Q 4.8251 9.1593 121.8270 54.1076 33.0690 174.3252 81 V 4.8072 7.9475 111.4115 59.7042 35.1440 175.8186 82 Y 4.2395 8.3333 122.1914 58.5288 37.8912 175.8362 83 H 4.4273 9.1212 121.1501 56.3999 30.0352 175.9098 84 G 4.0071 9.0615 110.1626 46.0882 0.0000 172.3819 85 A 5.1064 7.4986 120.0201 50.1609 22.4027 176.3342 86 G 4.0035 8.7916 106.6617 45.2172 0.0000 171.5961 87 W 5.6119 9.2289 121.0442 55.2698 29.7517 177.0074 88 A 4.2540 9.0317 126.3967 54.6861 18.2353 177.8121 89 Q 4.6674 7.8867 110.9809 52.7039 32.7283 174.0294 90 P 4.7827 0.0000 0.0000 61.8815 33.3796 177.7249 91 A 3.1872 7.6363 119.2351 55.1818 18.0689 180.3804 92 T 3.7089 7.5704 107.8268 65.2108 68.6439 176.2086 93 D 4.3658 7.7739 121.0211 57.1060 40.9398 178.4236 94 M 4.1489 7.8166 119.4839 58.0924 31.8730 178.5983 95 L 3.9014 7.8213 120.4716 58.1208 42.2159 178.4065 96 E 3.9344 8.5895 119.6161 59.6821 29.5271 178.6259 97 D 4.4139 8.6066 119.0895 57.1495 40.8403 179.0070 98 S 4.1138 8.1933 116.0151 61.3514 62.7581 176.7986 99 V 3.3851 7.6823 120.8802 65.9871 31.2957 178.2856 100 V 3.8033 7.6050 117.9252 66.2117 31.3682 178.1165 101 R 4.0703 8.1527 117.5820 59.3711 29.6755 178.9825 102 A 4.0226 8.2478 119.9647 54.9094 18.5044 179.3724 103 F 4.3745 8.1609 116.6155 60.7508 38.7656 177.6194 104 E 4.0341 8.2961 117.0544 59.6044 29.4810 178.6049 105 D 4.6860 8.2273 115.5913 55.0946 41.0484 177.9969 106 S 4.5048 7.9706 115.8156 58.9375 63.5863 175.5705 107 G 3.9855 8.2721 108.4264 45.4454 0.0000 173.8343 108 K 4.2784 8.0733 118.7843 57.1029 32.8555 176.3817 109 I 4.4125 7.3681 118.3072 59.3881 40.2359 174.2825 110 A 4.0243 8.5671 130.7101 53.6538 19.0204 176.4007 111 A 4.6018 7.6502 116.9638 50.0369 20.9615 174.8110 112 V 4.8801 8.2024 119.3373 62.0077 34.7656 174.2690 113 A 4.7399 8.9636 127.3647 50.2137 23.1554 176.9002 114 R 5.2371 8.5134 117.4153 56.5463 29.3869 179.4904 115 I 4.2607 8.2173 131.7062 60.2865 38.5908 174.6451 *121 S 4.2603 8.4093 119.4323 58.2163 64.2223 173.6225 122 D 4.2906 8.8124 124.2382 57.0543 41.6816 175.7310 123 Y 5.1014 8.3785 115.2492 55.8224 41.8984 174.5380 124 K 4.9165 9.0159 122.7515 54.6555 35.4795 174.5578 125 L 4.9761 9.2745 130.4618 53.9597 43.4913 174.7109 126 A 5.0638 9.1556 129.7266 50.2559 21.5001 174.8553 127 I 4.9248 8.4222 123.3722 59.5926 40.2874 173.9931 128 D 5.2392 9.2678 127.2038 52.5052 43.3308 174.8299 129 V 4.3707 8.8390 127.1439 62.3400 31.9096 175.2826 130 R 4.5435 9.4225 127.1937 57.5217 31.7817 177.2927 131 R 4.6963 7.8463 116.5772 54.5839 34.4664 174.5215 132 F 5.2019 9.0167 125.3194 56.2561 40.2372 172.6762 133 E 5.2813 9.4071 120.9334 54.6304 33.7513 174.5993 134 S 4.5887 9.7096 117.6661 58.1414 63.5108 172.2315 135 D 5.1396 8.9738 128.6257 52.7703 42.5665 176.6651 136 Y 3.3109 8.9645 124.7212 59.0956 38.6720 175.7726 137 A 3.8911 9.0314 121.4283 54.8777 16.1469 176.2941 138 G 4.0648 7.8282 101.8376 47.2255 0.0000 171.9518 139 Q 4.7440 7.9518 116.0688 53.5251 32.5451 176.1625 140 S 4.4301 8.6893 112.6044 60.3062 62.7421 173.8601 141 L 4.8581 7.6460 118.5634 52.1138 44.0743 174.9750 142 P 4.4789 0.0000 0.0000 61.9818 33.8434 174.1591 143 A 5.0386 9.0782 122.8870 49.6951 21.6340 175.7843 144 A 3.6892 8.2076 125.1863 51.9501 19.5808 176.5051 145 T 4.8561 8.5196 119.5275 61.7692 72.3243 173.1753 146 I 4.9668 8.7235 127.1740 59.3488 40.6191 174.1043 147 E 5.2911 9.3143 128.2687 54.2682 32.5374 174.4953 148 L 5.1504 9.0151 125.6323 54.5629 44.9190 173.8802 149 N 5.4703 9.6045 118.5336 51.8366 41.9082 172.6644 150 A 5.3389 8.7659 127.9133 50.2894 21.7161 175.3771 151 K 5.1467 9.3429 121.7334 54.5413 35.4624 174.9310 152 L 5.1412 8.9594 126.1925 53.4987 44.0271 175.0240 153 L 5.2161 8.9163 126.2398 53.2322 45.2083 175.1314 154 H 4.5040 8.9748 122.8653 54.9768 30.3465 175.9433 155 S 4.0190 8.6962 123.9836 61.8940 62.7020 176.7052 156 S 4.0027 7.5235 114.6048 61.9269 62.6617 175.0165 157 D 4.4823 7.9203 118.0493 54.1026 41.7076 176.3244 158 Q 3.2639 7.1325 117.4983 57.0392 26.7542 174.0030 159 R 4.5265 7.6073 117.9597 54.2603 32.7201 175.9665 160 V 3.8973 8.4357 127.0542 63.3260 31.4406 175.7852 161 V 3.8200 8.9435 129.3681 65.3513 32.0340 175.4600 162 A 4.5652 7.6969 119.1364 51.9360 22.3912 174.3673 163 S 5.3382 8.7858 112.3926 57.6180 65.8501 173.2697 164 R 4.2829 8.3682 123.7733 55.5328 33.7602 173.5873 165 T 4.7695 8.1281 123.0309 62.7037 69.9319 173.9668 166 F 4.7364 9.2938 125.1545 55.8559 42.0288 174.4279 167 T 5.0833 8.6115 119.5497 61.7122 71.4092 173.4902 168 V 4.5255 9.1215 125.9491 60.9110 34.9902 173.9464 169 A 5.0279 8.6031 128.1835 50.1826 21.8154 175.1549 170 R 4.6183 8.6340 121.9529 53.2796 33.3001 173.6745 171 P 4.4797 0.0000 0.0000 62.8552 31.9547 176.1989 172 S 4.4552 8.3958 117.7641 57.5586 63.3247 174.0117 173 S 4.4794 8.3847 118.7960 59.0131 63.7838 173.3483 174 S 4.6284 7.4537 113.6798 57.1506 65.7043 173.2268 175 T 4.2575 8.3479 108.4074 62.4901 69.4222 174.8756 176 D 4.4829 7.7746 123.5997 54.2416 41.6007 177.2634 177 T 3.2260 8.4970 113.3858 64.9281 68.4910 176.1801 178 A 3.6903 8.0460 122.5840 55.0225 18.3307 179.3418 179 A 3.9074 7.9279 119.0964 55.1270 18.4145 180.0649 180 V 3.4252 7.3886 116.1501 66.0559 31.6918 178.0308 181 A 4.3547 8.0283 120.6631 55.0574 17.9904 179.4459 182 A 3.9922 7.9422 118.8581 55.3358 18.3896 179.7667 183 A 3.9268 8.1548 119.2492 55.2353 18.3673 179.9259 184 F 4.0915 8.3132 116.5657 60.4172 38.8668 177.4563 185 E 3.9870 8.4881 119.1878 59.4345 29.3742 178.9285 186 Q 3.9610 7.9320 117.7260 58.9743 28.6970 178.7556 187 A 3.9298 8.2029 121.9050 54.9438 18.3807 179.6437 188 L 3.9241 8.3884 117.9402 58.2831 41.7380 179.9517 189 T 3.8358 8.1752 115.8587 66.6375 68.5297 176.5846 190 Q 3.9710 8.2776 121.8608 59.1720 29.1365 178.6810 191 V 3.5804 8.0584 120.5290 65.1177 31.3910 178.4781 192 T 3.7339 7.8847 116.4389 66.6139 67.9436 176.7874 193 T 3.9879 7.9427 117.6840 66.6931 68.3171 176.6132 194 E 4.1367 8.0115 120.2279 58.8811 29.3705 179.4458 195 L 3.4920 7.4434 119.2334 57.5993 41.7768 179.2774 196 V 3.0648 7.5040 118.3348 66.0038 31.2294 178.3381 197 G 2.7561 7.3396 104.7723 46.8821 0.0000 175.4501 198 W 4.3593 7.9722 130.3835 60.0941 30.7112 178.5842 199 T 3.6382 8.2712 116.3206 66.4043 68.0041 176.7700 200 L 4.2361 7.9732 120.8686 57.9106 41.6182 179.7808 201 I 3.7175 7.5905 119.5931 64.7072 37.1245 178.6424 202 T 3.6068 7.5273 116.6411 66.2527 68.0235 176.7404 203 G 2.3269 7.5818 107.7293 47.5834 0.0000 175.4842 204 Q 4.1395 8.0564 122.4331 58.8506 28.8397 178.2753 205 Q 3.9749 7.9508 118.4789 58.5531 29.1168 177.7147 206 D 4.3501 7.8416 119.4676 57.2371 41.0602 178.2105 207 S 4.2305 7.9453 112.8735 61.1884 62.3639 175.2418 208 Q 4.4478 7.5127 118.5845 56.1092 28.4020 176.0685 209 T 4.1915 7.6542 116.3725 61.8148 68.9561 173.6051 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 32 A 8.26 4.51 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 33 T 8.64 3.68 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 34 I 8.73 4.65 1.79 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.79 0.92 0.00 0.00 35 Y 8.81 4.59 0.00 2.96 3.10 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 0.00 0.00 0.00 36 A 8.68 4.99 1.27 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 0.00 0.00 37 P 0.00 4.58 0.00 2.06 2.07 0.00 3.65 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.34 0.00 38 T 9.12 4.42 4.38 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 1.23 0.00 0.00 39 V 8.40 4.18 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 0.83 0.00 0.00 0.93 0.00 0.00 40 R 8.47 4.46 0.00 1.82 1.84 0.00 3.25 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 41 V 8.19 4.18 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 0.97 0.00 0.00 0.93 0.00 0.00 42 T 8.40 4.07 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 43 P 0.00 3.97 0.00 1.91 2.18 0.00 3.59 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 1.98 2.24 0.00 44 N 6.03 4.24 0.00 1.44 1.42 0.00 0.00 7.20 7.71 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 45 P 0.00 4.10 0.00 1.99 2.03 0.00 3.51 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.96 0.00 46 A 8.77 4.55 1.27 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 0.00 0.00 47 W 8.09 4.74 0.00 3.44 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 48 P 0.00 4.34 0.00 2.24 2.13 0.00 3.92 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 49 Q 8.62 4.23 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.49 0.00 50 V 8.18 4.35 1.17 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 0.84 0.00 0.00 -0.17 0.00 0.00 51 S 7.88 4.42 0.00 3.88 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 W 7.36 4.74 0.00 3.76 3.31 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 0.00 53 Q 9.41 4.84 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.79 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 54 L 9.19 5.20 0.00 1.78 1.31 1.02 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.91 4.94 0.00 1.80 1.53 0.99 1.03 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 56 V 8.71 4.63 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 0.88 0.00 0.00 1.01 0.00 0.00 57 A 8.64 4.36 1.27 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 0.00 0.00 58 K 8.45 4.05 0.00 1.77 1.77 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.61 1.47 7.81 59 P 0.00 4.78 0.00 1.92 1.99 0.00 3.62 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 2.21 2.10 0.00 60 S 8.48 4.94 0.00 3.88 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 61 A 8.09 4.64 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 62 A 8.20 4.10 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 63 R 8.79 3.92 0.00 1.87 2.03 0.00 3.14 0.00 0.00 3.27 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 64 I 7.72 3.61 1.90 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 1.68 0.77 0.95 0.00 0.00 65 I 8.04 4.10 2.03 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 1.54 0.77 0.90 0.00 0.00 66 D 7.56 4.58 0.00 2.77 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 67 S 7.71 5.01 0.00 3.92 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 68 P 0.00 4.81 0.00 2.25 2.39 0.00 3.71 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 2.10 2.02 0.00 69 R 8.61 4.44 0.00 1.69 1.89 0.00 3.13 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 70 I 7.95 4.43 1.90 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.29 0.99 0.00 0.00 71 N 9.01 5.26 0.00 3.05 2.83 0.00 0.00 6.57 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 72 V 8.50 4.79 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 0.33 0.00 0.00 0.97 0.00 0.00 73 R 9.35 5.38 0.00 1.92 1.90 0.00 3.32 0.00 0.00 3.59 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 74 P 0.00 4.15 0.00 2.01 1.94 0.00 3.90 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.07 0.00 75 T 7.42 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 1.16 0.00 0.00 76 P 0.00 4.22 0.00 2.07 2.18 0.00 3.66 0.00 0.00 3.66 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 77 G 7.97 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.17 4.64 0.00 1.93 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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 87 W 9.23 5.61 0.00 3.19 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 88 A 9.03 4.25 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 89 Q 7.89 4.67 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.97 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 90 P 0.00 4.78 0.00 2.08 1.93 0.00 3.98 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.00 0.00 91 A 7.64 3.19 0.16 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 92 T 7.57 3.71 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 1.20 0.00 0.00 93 D 7.77 4.37 0.00 2.78 2.71 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 94 M 7.82 4.15 0.00 1.87 1.89 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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3.24 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 0.00 104 E 8.30 4.03 0.00 2.14 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 2.39 2.52 0.00 105 D 8.23 4.69 0.00 2.66 2.73 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 0.00 106 S 7.97 4.50 0.00 4.36 4.40 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 0.00 107 G 8.27 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.07 4.28 0.00 1.94 2.13 0.00 2.04 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.81 1.96 7.81 109 I 7.37 4.41 1.54 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 1.18 0.33 0.94 0.00 0.00 110 A 8.57 4.02 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 0.00 111 A 7.65 4.60 1.20 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 133 E 9.41 5.28 0.00 2.18 2.15 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 0.00 2.28 2.32 0.00 134 S 9.71 4.59 0.00 4.28 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 0.00 135 D 8.97 5.14 0.00 2.76 2.55 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 0.00 136 Y 8.96 3.31 0.00 3.14 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 0.00 137 A 9.03 3.89 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 G 7.83 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 0.00 139 Q 7.95 4.74 0.00 2.28 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 140 S 8.69 4.43 0.00 3.86 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 7.65 4.86 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 0.00 150 A 8.77 5.34 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 0.00 151 K 9.34 5.15 0.00 1.74 1.79 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.41 7.81 152 L 8.96 5.14 0.00 1.71 1.39 0.90 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 153 L 8.92 5.22 0.00 1.64 1.54 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 154 H 8.97 4.50 0.00 3.12 3.11 0.00 5.60 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 S 8.70 4.02 0.00 3.81 3.82 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 0.00 156 S 7.52 4.00 0.00 3.64 3.84 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 0.00 157 D 7.92 4.48 0.00 2.67 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 0.00 158 Q 7.13 3.26 0.00 2.27 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.63 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 159 R 7.61 4.53 0.00 1.88 1.79 0.00 3.07 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 160 V 8.44 3.90 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 0.85 0.00 0.00 0.96 0.00 0.00 161 V 8.94 3.82 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 0.58 0.00 0.00 1.12 0.00 0.00 162 A 7.70 4.57 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 S 8.79 5.34 0.00 3.92 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 0.00 164 R 8.37 4.28 0.00 1.36 0.66 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.97 0.00 165 T 8.13 4.77 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 1.15 0.00 0.00 166 F 9.29 4.74 0.00 2.80 2.85 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 0.00 167 T 8.61 5.08 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 168 V 9.12 4.53 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 1.05 0.00 0.00 0.95 0.00 0.00 169 A 8.60 5.03 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 0.00 170 R 8.63 4.62 0.00 1.57 1.72 0.00 3.25 0.00 0.00 3.41 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.61 0.00 171 P 0.00 4.48 0.00 2.01 1.99 0.00 3.69 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 172 S 8.40 4.46 0.00 3.72 3.79 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 0.00 173 S 8.38 4.48 0.00 3.99 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 0.00 174 S 7.45 4.63 0.00 3.92 3.84 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 0.00 175 T 8.35 4.26 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 176 D 7.77 4.48 0.00 2.70 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.50 3.23 3.76 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 0.64 0.00 0.00 178 A 8.05 3.69 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 0.00 179 A 7.93 3.91 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 V 7.39 3.43 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 1.20 0.00 0.00 0.81 0.00 0.00 181 A 8.03 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 A 7.94 3.99 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 0.00 183 A 8.15 3.93 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 0.00 184 F 8.31 4.09 0.00 3.52 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 E 8.49 3.99 0.00 2.26 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 0.00 2.37 2.45 0.00 186 Q 7.93 3.96 0.00 2.27 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 187 A 8.20 3.93 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 0.00 188 L 8.39 3.92 0.00 1.95 1.73 0.90 0.72 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 0.00 189 T 8.18 3.84 4.38 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 1.21 0.00 0.00 190 Q 8.28 3.97 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 191 V 8.06 3.58 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 0.83 0.00 0.00 0.85 0.00 0.00 192 T 7.88 3.73 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 1.08 0.00 0.00 193 T 7.94 3.99 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 194 E 8.01 4.14 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 195 L 7.44 3.49 0.00 1.60 1.55 0.75 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 196 V 7.50 3.06 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 -0.18 0.00 0.00 197 G 7.34 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 0.00 0.00 0.00 198 W 7.97 4.36 0.00 3.66 3.64 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 0.00 199 T 8.27 3.64 4.75 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 1.27 0.00 0.00 200 L 7.97 4.24 0.00 1.52 1.72 0.74 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 201 I 7.59 3.72 1.94 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.68 0.91 0.00 0.00 202 T 7.53 3.61 3.22 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 0.73 0.00 0.00 203 G 7.58 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 Q 8.06 4.14 0.00 2.57 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.76 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 205 Q 7.95 3.97 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 206 D 7.84 4.35 0.00 2.54 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 0.00 207 S 7.95 4.23 0.00 3.94 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 0.00 208 Q 7.51 4.45 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.51 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 209 T 7.65 4.19 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 1.24 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.