NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.5646 8.0433 122.7679 55.2691 43.5044 175.0097 2 R 4.9969 9.6511 126.3691 53.9038 33.1697 174.0632 3 G 4.6866 9.4329 109.6657 44.4970 0.0000 171.4525 4 F 5.2149 9.2350 124.4279 55.9838 42.2575 173.8488 5 I 4.7255 7.7839 124.7709 59.1004 41.9280 173.5504 6 I 4.9357 8.0274 125.8360 59.6084 41.0503 174.3819 7 G 3.6726 8.5433 114.6614 46.1528 0.0000 173.0578 8 R 4.3110 8.2684 116.9194 55.8250 31.8232 176.6795 9 F 3.9528 7.0779 115.8096 59.1618 36.3500 176.0249 10 Q 5.2468 7.6736 117.9459 53.1836 29.2000 173.2818 11 P 5.7501 0.0000 0.0000 59.4408 34.3597 175.4271 12 F 4.3220 8.9021 120.8311 58.8101 39.6158 173.5146 13 H 5.0686 7.9280 122.2806 52.9763 31.6942 173.9973 14 K 3.8833 8.1773 117.6703 58.6293 31.3129 179.8689 15 G 3.6006 7.5051 106.3355 47.7387 0.0000 175.3148 16 H 4.0550 7.6835 118.0859 58.5558 28.7021 176.9143 17 L 3.8387 6.9143 121.3429 58.5073 41.6982 178.6009 18 E 3.5887 7.8292 118.1117 59.6060 29.3715 180.1350 19 V 3.8889 7.9426 118.8669 64.8818 31.3867 178.4624 20 I 3.6603 7.9908 120.7097 63.9002 36.6981 178.2341 21 K 3.7895 7.7294 118.4616 59.3721 32.2235 178.5655 22 K 4.0073 8.1466 119.7850 59.8775 32.0684 178.7127 23 I 3.3737 7.6604 119.3778 64.1741 36.8257 178.1195 24 A 4.1815 7.8930 119.9809 54.5151 18.2651 178.6278 25 E 4.1869 8.4907 115.9528 57.5525 29.8598 176.9525 26 E 4.6725 8.4243 117.4225 56.1166 31.3869 176.3199 27 V 4.6613 7.3591 116.5171 59.7854 34.4359 174.8731 28 D 4.6432 8.4952 121.8137 57.3241 41.3084 176.5503 29 E 5.1061 8.1658 115.7577 54.9219 34.7324 174.3181 30 I 5.0255 8.8763 122.8347 59.7283 40.8366 174.5302 31 I 4.7944 9.4023 129.0610 60.4396 38.7863 175.1379 32 I 4.3577 8.9544 130.0638 59.4503 38.0072 174.9057 33 G 3.9410 8.5775 115.8705 46.3570 0.0000 170.8855 34 I 4.7573 9.1554 128.4384 59.9027 37.5888 175.9441 35 G 4.1370 9.2658 115.4575 45.1692 0.0000 170.7565 36 S 4.2223 9.0650 111.5226 58.1480 60.5001 175.1004 37 A 4.2939 8.1138 123.9344 55.0222 18.4335 179.3770 38 Q 4.3215 8.0696 111.1347 56.6076 29.4065 175.6218 39 K 4.4354 8.2442 120.3264 55.3910 32.2810 175.9687 40 S 5.1730 8.4049 115.8407 58.7614 65.7786 173.1188 41 H 3.9403 8.3327 115.1118 57.5476 26.0605 174.3015 42 T 4.7380 6.9823 110.5353 61.4170 72.4564 175.5052 43 L 4.0475 8.3699 121.2481 57.0156 41.8364 178.2530 44 E 4.3679 8.0139 116.6345 57.1158 30.8355 175.8845 45 N 5.0610 7.4946 115.7491 50.5300 39.2120 172.7487 46 P 4.1590 0.0000 0.0000 63.6729 32.2390 177.3363 47 F 5.3745 7.1972 116.2225 55.6621 40.9229 176.1801 48 T 4.2167 9.0345 121.4685 62.9556 70.3153 175.8151 49 A 4.1736 8.6589 124.2103 55.6732 18.4111 180.4109 50 G 3.6554 8.1030 103.6243 47.6989 0.0000 175.4216 51 E 3.9275 8.2557 120.4441 59.6513 29.6063 179.6810 52 R 3.9695 8.3937 118.0888 59.2037 30.0441 179.1475 53 I 3.6366 8.3080 120.1579 64.1366 37.0500 178.1443 54 L 3.8562 7.8444 121.0758 58.4952 41.4489 178.7226 55 M 3.8918 7.8835 118.5065 58.6317 31.7469 178.8148 56 I 2.7418 7.2328 119.2816 63.9306 37.1814 178.5326 57 T 4.3607 7.7854 117.9445 65.9317 68.0344 177.0441 58 Q 3.9564 7.7462 119.5536 58.8379 28.7421 178.4662 59 S 4.2107 7.3587 114.8539 60.7203 63.1918 175.6926 60 L 4.3353 7.2894 120.0388 54.6167 41.8446 178.7210 61 K 4.0384 7.5973 118.0853 59.4839 32.7398 177.4979 62 D 4.6526 8.1317 119.8316 54.8918 40.8893 176.0272 *63 Y 4.6677 7.5670 122.1525 55.9192 39.3841 179.5825 64 D 4.6976 8.4424 113.4961 55.8219 40.4153 172.5438 65 L 4.2673 7.5951 118.0318 55.6992 42.5419 176.3815 66 T 4.4511 8.4095 119.6652 62.8157 69.9378 173.4094 67 Y 5.8249 7.6263 123.2454 55.3710 42.5399 173.9570 68 Y 4.4510 8.5055 116.8336 56.0339 41.5528 172.9526 69 P 5.1060 0.0000 0.0000 62.0669 32.1402 175.4607 70 I 4.7339 8.7127 126.5641 58.3313 40.5068 173.4549 71 P 4.8728 0.0000 0.0000 63.0256 32.1926 175.5595 72 I 4.6541 9.3332 126.7685 58.9818 39.5965 175.4663 73 K 4.4794 9.1589 126.9598 56.3443 33.0411 176.6302 74 D 4.6680 8.9677 124.0566 54.7522 41.6483 176.1348 75 I 4.3586 8.4771 117.1146 59.5138 40.3496 175.6413 76 E 4.7226 8.2051 118.4545 54.0392 29.1692 177.9542 77 F 4.8789 7.4131 120.4460 56.0498 41.5845 173.5349 78 N 4.4134 8.7121 123.7808 56.0070 38.4711 176.3084 79 S 4.3175 8.4764 112.9220 60.1995 62.7962 174.8633 80 I 4.2868 7.6386 113.8405 60.2891 37.8227 176.9687 81 W 4.1113 7.9798 131.4364 60.9053 30.4941 177.7663 82 V 2.8813 7.8379 117.6057 65.8344 30.8308 177.8240 83 S 4.3782 7.7624 113.7719 60.6366 62.1480 175.2655 84 Y 4.0036 7.8845 122.3032 60.7276 37.1013 177.9997 85 V 3.1376 7.4120 119.3674 66.1065 31.2933 177.7559 86 E 4.1023 8.2763 118.4050 59.3822 28.9869 179.4606 87 S 4.0603 7.7732 114.3964 61.6162 63.0628 176.3669 88 L 4.1488 7.1608 118.9653 55.2962 41.8591 177.0316 89 T 4.6491 6.5577 107.8154 58.5255 71.8531 171.9687 90 P 4.1487 0.0000 0.0000 62.2088 31.8847 174.5912 91 P 4.1741 0.0000 0.0000 62.9295 31.7305 175.7026 92 F 5.2402 7.8472 115.7923 55.3992 41.1514 173.7354 93 D 5.0436 9.4008 119.8360 54.8329 43.6468 176.9455 94 I 4.8804 7.9766 117.7217 59.4287 41.8602 174.4379 95 V 4.6811 8.3869 125.9564 61.2867 34.0618 173.8507 96 Y 5.4087 8.8515 126.1805 56.1314 38.6545 174.9575 97 S 4.6768 8.5568 117.7880 57.0449 65.5529 173.9960 98 G 3.9962 8.7056 112.6046 45.2959 0.0000 173.7400 99 N 4.4764 8.0148 119.8790 52.7441 40.2264 173.8420 100 P 4.2554 0.0000 0.0000 65.3837 31.4847 178.6555 101 L 3.8790 7.7545 118.7728 58.1517 42.1711 178.7711 102 V 3.5371 7.7764 117.7363 66.1604 31.2914 177.5069 103 R 3.9830 8.3996 118.4951 59.4810 29.9931 178.2122 104 V 3.6389 7.8952 117.7860 66.3796 31.0735 177.8964 105 L 4.0268 8.1952 118.4837 58.0883 41.4733 179.7149 106 F 4.3668 8.3848 117.4714 60.5322 39.0199 177.8938 107 E 4.3563 8.8163 118.5044 59.4311 28.9993 179.2238 108 E 4.1350 8.3265 118.0192 58.9204 29.5411 178.4830 109 R 4.4612 7.5593 115.4503 56.1283 30.4031 177.2044 110 G 4.0077 8.1855 107.6059 45.0241 0.0000 173.7176 111 Y 4.2415 7.7943 117.2120 57.4397 39.0488 175.0679 112 E 4.2608 8.8279 123.7468 56.0752 31.1135 175.2976 113 V 4.8860 8.4330 126.1257 61.0244 34.3468 174.5628 114 K 4.6996 8.8375 126.4562 54.2604 36.0425 175.7319 115 R 4.5491 8.6280 123.4264 55.4576 30.4077 175.1446 116 P 4.6211 0.0000 0.0000 62.2104 32.3452 175.6127 117 E 4.0403 8.4153 119.1405 56.0931 30.0013 177.1435 118 M 4.2670 8.1519 123.1182 55.1054 32.8528 175.9459 119 F 4.6346 8.1306 119.1954 56.7105 42.5128 174.6263 120 N 4.0489 8.8711 125.6739 54.7630 36.7829 175.5136 121 R 4.1871 7.9184 115.8726 57.9283 30.9107 178.6551 122 K 4.1345 8.0173 116.7347 58.8728 33.1353 177.6015 123 E 4.3770 8.0241 117.4288 57.8328 30.8415 176.3364 124 Y 4.6568 8.1299 118.1177 56.0662 36.5146 174.5492 125 S 4.6619 7.6044 115.1982 55.3186 67.0821 173.4110 126 G 3.7636 8.9522 116.3422 48.5241 0.0000 175.5189 127 T 3.8624 8.0116 118.4710 66.3057 68.4807 175.9208 128 E 3.9001 8.0486 120.1277 59.2941 29.6542 178.4289 129 I 3.7455 7.9988 120.2415 64.8143 37.2115 178.4618 130 R 3.7437 8.4441 118.7035 59.2745 29.8877 179.0136 131 R 3.8635 8.1178 118.4324 59.5628 30.0162 178.8106 132 R 4.1940 8.0755 119.0426 58.9971 29.8820 178.7448 133 M 4.0496 7.8670 117.5707 58.6613 32.0411 178.6233 134 L 4.2098 7.9898 117.8186 56.5926 41.6906 178.0762 135 N 4.8659 8.3121 115.2030 52.4324 37.4702 176.0418 136 G 4.0396 8.2202 109.4859 45.8391 0.0000 173.6734 137 E 4.4724 7.9315 119.1988 54.6410 31.1469 175.8801 138 K 4.4395 8.3294 119.0662 56.1810 32.9646 177.2853 139 W 5.2093 7.9120 115.2211 56.3283 30.7841 176.8038 140 E 3.1784 7.5399 119.1261 59.4911 28.7671 178.0315 141 H 4.6290 7.8881 110.4171 56.0072 29.2579 175.6294 142 L 4.5401 8.0209 121.1170 55.9087 42.1357 176.5890 143 V 4.8399 7.4087 110.3497 57.9397 35.0489 173.9801 144 P 4.4883 0.0000 0.0000 62.4239 33.0870 177.9497 145 K 3.9665 8.5252 118.3210 59.6101 31.9332 179.5013 146 A 3.9938 8.0145 120.6628 55.0413 18.2330 179.6640 147 V 3.4775 8.0166 116.4161 66.5457 31.8619 178.5792 148 V 3.6218 7.5700 117.7227 66.0468 31.6169 177.5336 149 D 4.3699 8.5193 119.1486 57.4907 40.7993 179.2717 150 V 3.5331 7.5347 118.0843 66.1108 31.5065 178.0832 151 I 3.6290 8.3098 119.9150 64.0839 36.9139 178.3192 152 K 3.9414 8.2049 120.4268 59.5317 31.8944 178.1087 153 E 3.9234 7.8949 118.6246 59.1315 29.5802 178.2536 154 I 4.2176 7.4212 108.4592 59.2999 39.5214 175.4589 155 K 3.8594 8.0951 119.9674 57.6044 30.3147 175.9870 156 G 3.8443 8.8341 109.4709 48.1062 0.0000 174.1110 157 V 3.6188 7.9763 120.7810 65.6877 31.4361 177.6843 158 E 3.9696 8.2243 117.6395 59.3769 29.3753 178.8885 159 R 3.8780 7.9265 118.6259 59.5644 29.9906 178.0202 160 L 3.8488 7.8500 119.7992 58.4998 41.8043 179.2533 161 R 4.0087 7.8451 116.5105 58.8431 30.0622 178.8428 162 K 4.1572 7.9737 118.0781 59.3455 32.1364 179.1452 163 L 4.0987 7.9795 118.1277 57.1657 41.5367 177.6008 164 A 4.2914 7.5863 124.8626 52.2895 18.6171 176.8815 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 L 8.04 4.56 0.00 1.85 1.74 1.06 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 2 R 9.65 5.00 0.00 2.00 1.97 0.00 3.43 0.00 0.00 3.33 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 3 G 9.43 4.69 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 4 F 9.23 5.21 0.00 1.51 2.06 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 5 I 7.78 4.73 1.83 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.55 0.93 0.00 0.00 6 I 8.03 4.94 2.10 0.00 0.00 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 1.56 1.06 1.18 0.00 0.00 7 G 8.54 3.67 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 0.00 0.00 0.00 8 R 8.27 4.31 0.00 1.74 2.19 0.00 3.39 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 9 F 7.08 3.95 0.00 3.42 3.15 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 0.00 0.00 0.00 10 Q 7.67 5.25 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.25 2.57 0.00 11 P 0.00 5.75 0.00 2.26 2.30 0.00 3.48 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.92 0.00 12 F 8.90 4.32 0.00 2.93 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 13 H 7.93 5.07 0.00 3.38 3.41 0.00 5.71 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.18 3.88 0.00 0.79 1.10 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.26 1.28 7.81 15 G 7.51 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 H 7.68 4.06 0.00 2.25 2.41 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 6.91 3.84 0.00 1.52 1.66 0.83 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.83 3.59 0.00 1.37 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 2.16 1.92 0.00 19 V 7.94 3.89 2.31 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 0.95 0.00 0.00 1.01 0.00 0.00 20 I 7.99 3.66 1.97 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 1.48 0.63 0.82 0.00 0.00 21 K 7.73 3.79 0.00 1.78 1.82 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.50 7.81 22 K 8.15 4.01 0.00 2.11 2.04 0.00 1.60 0.00 0.00 1.84 0.00 0.00 3.42 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.59 1.61 7.81 23 I 7.66 3.37 1.82 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.22 -0.09 0.56 0.00 0.00 24 A 7.89 4.18 1.33 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 25 E 8.49 4.19 0.00 2.04 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 2.34 2.55 0.00 26 E 8.42 4.67 0.00 2.10 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 2.32 2.26 0.00 27 V 7.36 4.66 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 0.87 0.00 0.00 1.11 0.00 0.00 28 D 8.50 4.64 0.00 2.82 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 29 E 8.17 5.11 0.00 2.05 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 2.39 2.44 0.00 30 I 8.88 5.03 1.94 0.00 0.00 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 1.23 1.10 0.90 0.00 0.00 31 I 9.40 4.79 2.01 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.52 1.17 0.00 0.00 32 I 8.95 4.36 1.89 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.76 0.70 0.00 0.00 33 G 8.58 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 0.00 0.00 0.00 34 I 9.16 4.76 2.01 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 1.36 1.11 1.11 0.00 0.00 35 G 9.27 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 0.00 0.00 0.00 36 S 9.06 4.22 0.00 4.06 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 37 A 8.11 4.29 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.07 4.32 0.00 2.22 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 39 K 8.24 4.44 0.00 1.88 1.79 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.44 1.40 7.81 40 S 8.40 5.17 0.00 3.97 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 41 H 8.33 3.94 0.00 3.29 3.38 0.00 5.60 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 T 6.98 4.74 4.20 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 1.23 0.00 0.00 43 L 8.37 4.05 0.00 1.59 1.67 0.89 0.81 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 44 E 8.01 4.37 0.00 1.89 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 0.00 2.21 2.33 0.00 45 N 7.49 5.06 0.00 2.66 2.83 0.00 0.00 6.93 8.03 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 46 P 0.00 4.16 0.00 0.70 1.75 0.00 3.68 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.36 0.00 47 F 7.20 5.37 0.00 3.10 3.03 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 48 T 9.03 4.22 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 1.33 0.00 0.00 49 A 8.66 4.17 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 50 G 8.10 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.26 3.93 0.00 2.25 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 2.41 2.45 0.00 52 R 8.39 3.97 0.00 1.93 2.08 0.00 3.42 0.00 0.00 3.52 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 53 I 8.31 3.64 2.07 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 1.41 0.69 0.89 0.00 0.00 54 L 7.84 3.86 0.00 1.81 1.79 0.88 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 55 M 7.88 3.89 0.00 2.03 2.15 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 2.69 2.45 0.00 56 I 7.23 2.74 1.71 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.48 0.32 0.00 0.00 57 T 7.79 4.36 4.20 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 1.25 0.00 0.00 58 Q 7.75 3.96 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.99 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 59 S 7.36 4.21 0.00 3.61 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 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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 69 P 0.00 5.11 0.00 2.08 2.13 0.00 3.68 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.13 0.00 70 I 8.71 4.73 1.96 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 1.33 0.87 0.97 0.00 0.00 71 P 0.00 4.87 0.00 2.15 2.15 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 72 I 9.33 4.65 2.13 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.48 1.24 0.00 0.00 73 K 9.16 4.48 0.00 1.86 1.83 0.00 1.89 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.62 7.81 74 D 8.97 4.67 0.00 2.81 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.48 4.36 1.79 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 1.58 0.73 0.38 0.00 0.00 76 E 8.21 4.72 0.00 1.92 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.19 0.00 77 F 7.41 4.88 0.00 3.04 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 78 N 8.71 4.41 0.00 2.81 2.87 0.00 0.00 6.63 7.11 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 79 S 8.48 4.32 0.00 4.00 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 80 I 7.64 4.29 1.65 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 1.23 0.59 0.44 0.00 0.00 81 W 7.98 4.11 0.00 3.63 3.38 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 82 V 7.84 2.88 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 0.86 0.00 0.00 0.34 0.00 0.00 83 S 7.76 4.38 0.00 3.86 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 84 Y 7.88 4.00 0.00 2.95 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.41 3.14 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 0.49 0.00 0.00 -0.24 0.00 0.00 86 E 8.28 4.10 0.00 2.04 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 2.08 2.32 0.00 87 S 7.77 4.06 0.00 3.81 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.16 4.15 0.00 1.35 1.58 0.22 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 89 T 6.56 4.65 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 90 P 0.00 4.15 0.00 1.72 1.77 0.00 3.43 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.64 0.00 91 P 0.00 4.17 0.00 1.99 1.90 0.00 3.57 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 92 F 7.85 5.24 0.00 3.30 3.03 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 93 D 9.40 5.04 0.00 2.65 2.77 0.00 0.00 0.00 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1.97 1.90 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.47 0.00 119 F 8.13 4.63 0.00 3.07 3.02 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 0.00 120 N 8.87 4.05 0.00 2.72 1.97 0.00 0.00 7.19 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 0.00 121 R 7.92 4.19 0.00 1.84 1.97 0.00 3.44 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.58 0.00 122 K 8.02 4.13 0.00 1.84 1.92 0.00 1.52 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.39 7.81 123 E 8.02 4.38 0.00 1.66 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 2.19 2.18 0.00 124 Y 8.13 4.66 0.00 3.05 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 0.00 125 S 7.60 4.66 0.00 3.83 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 0.00 126 G 8.95 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 0.00 0.00 0.00 0.00 127 T 8.01 3.86 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 1.20 0.00 0.00 128 E 8.05 3.90 0.00 2.12 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 0.00 2.47 2.43 0.00 129 I 8.00 3.75 2.00 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 1.67 0.68 0.82 0.00 0.00 130 R 8.44 3.74 0.00 1.80 1.89 0.00 2.97 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.70 0.00 131 R 8.12 3.86 0.00 1.86 2.11 0.00 3.10 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 132 R 8.08 4.19 0.00 2.17 2.13 0.00 3.32 0.00 0.00 3.65 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 133 M 7.87 4.05 0.00 1.80 2.08 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.46 0.00 134 L 7.99 4.21 0.00 1.75 1.71 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 135 N 8.31 4.87 0.00 3.02 3.04 0.00 0.00 7.08 7.44 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 0.00 136 G 8.22 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 0.00 137 E 7.93 4.47 0.00 2.06 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 2.33 2.46 0.00 138 K 8.33 4.44 0.00 1.82 1.74 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.37 7.81 139 W 7.91 5.21 0.00 3.52 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 0.00 140 E 7.54 3.18 0.00 1.68 1.70 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 1.47 1.47 0.00 141 H 7.89 4.63 0.00 3.26 3.41 0.00 5.71 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 0.00 142 L 8.02 4.54 0.00 1.99 1.94 1.03 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 143 V 7.41 4.84 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 0.97 0.00 0.00 1.21 0.00 0.00 144 P 0.00 4.49 0.00 2.22 2.00 0.00 3.68 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.16 0.00 145 K 8.53 3.97 0.00 1.78 1.84 0.00 1.65 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.48 7.81 146 A 8.01 3.99 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 0.00 147 V 8.02 3.48 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 0.94 0.00 0.00 1.12 0.00 0.00 148 V 7.57 3.62 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 0.76 0.00 0.00 0.86 0.00 0.00 149 D 8.52 4.37 0.00 2.81 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 0.00 150 V 7.53 3.53 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 0.91 0.00 0.00 0.92 0.00 0.00 151 I 8.31 3.63 2.11 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.38 1.02 0.00 0.00 152 K 8.20 3.94 0.00 2.09 2.02 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.50 7.81 153 E 7.89 3.92 0.00 1.99 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 0.00 2.34 2.36 0.00 154 I 7.42 4.22 1.91 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 1.72 0.91 0.94 0.00 0.00 155 K 8.10 3.86 0.00 2.02 1.88 0.00 1.70 0.00 0.00 1.90 0.00 0.00 2.92 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.42 1.40 7.81 156 G 8.83 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 0.00 0.00 0.00 157 V 7.98 3.62 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 1.15 0.00 0.00 1.03 0.00 0.00 158 E 8.22 3.97 0.00 2.20 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 2.45 2.43 0.00 159 R 7.93 3.88 0.00 1.94 2.16 0.00 2.99 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 160 L 7.85 3.85 0.00 1.93 1.71 0.74 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 161 R 7.85 4.01 0.00 1.86 1.98 0.00 3.25 0.00 0.00 3.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 162 K 7.97 4.16 0.00 1.95 1.88 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.55 7.81 163 L 7.98 4.10 0.00 1.73 1.71 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 164 A 7.59 4.29 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.