NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5575 8.2516 120.4076 54.9626 33.3283 174.5907 2 K 4.0289 8.2924 129.1595 54.8479 33.5903 174.3316 3 S 4.7834 8.4628 120.6667 56.3173 66.9542 174.6152 4 V 3.5474 8.5029 117.9797 66.2515 31.0370 177.8918 5 I 3.7166 7.5970 118.9674 64.8284 36.9869 178.4729 6 T 3.8799 7.9765 116.4902 66.7762 68.1525 177.0076 7 T 3.8919 7.9885 117.8749 66.7827 68.1615 176.8086 8 T 3.8435 7.6576 115.1700 65.2711 67.3560 176.3747 9 I 3.7741 7.6018 121.8966 64.2186 37.0280 178.5011 10 S 4.0944 7.8525 116.0699 61.6462 62.5546 176.6938 11 A 3.9872 8.0484 123.1708 54.8478 18.0789 179.6152 12 A 3.9150 8.1714 119.3938 55.4644 18.5555 179.3196 13 D 4.2092 8.5011 116.7709 57.5041 41.0469 178.3447 14 A 3.9979 8.3234 120.3757 54.3343 18.4285 178.4035 15 A 4.4559 7.5316 117.1287 51.3737 19.3965 177.7363 16 G 3.8239 7.9290 105.4621 45.7661 0.0000 173.7860 17 R 4.7079 7.6631 114.8642 53.6809 31.7090 175.6256 18 Y 4.1623 8.4858 117.2856 56.8640 38.5436 174.2202 19 P 4.4984 0.0000 0.0000 63.5860 31.5995 176.0550 20 S 4.8429 9.2339 120.2710 56.5942 65.9499 174.1390 21 T 3.8460 8.6528 109.7174 65.7985 67.9843 175.8261 22 S 4.1260 8.1234 117.6173 61.3261 62.9952 176.3926 23 D 4.4441 7.9177 122.1021 56.9374 40.4459 178.7597 24 L 4.0520 7.5408 117.8480 57.8262 41.8765 179.3130 25 Q 4.1350 8.6853 118.5006 58.8714 28.4713 178.5791 26 S 4.1284 8.4678 116.7014 61.9685 63.0987 177.1806 27 V 3.7608 7.7334 113.5586 63.4952 31.4728 178.3007 28 Q 4.1157 8.2082 120.0405 58.9053 28.7378 178.4289 29 G 3.6028 7.8919 107.1072 47.5583 0.0000 175.3271 30 N 4.3147 7.9932 118.0398 56.4815 38.8955 176.6112 31 I 3.9127 7.6221 121.1152 64.2440 36.9769 178.4218 32 Q 4.0034 7.7733 117.8369 58.8948 28.9778 178.1962 33 R 4.1014 8.2508 117.8511 57.2949 30.1500 177.8241 34 A 3.9687 7.6590 120.3419 56.1482 18.3228 179.5455 35 A 3.9730 8.0451 118.1795 55.0663 18.2696 179.5813 36 A 3.9852 7.9380 119.1373 55.2572 18.5358 179.9243 37 R 3.9083 8.1534 116.6491 59.4858 30.2086 179.3642 38 L 4.0021 8.1760 118.7377 57.3255 41.6309 178.6828 39 E 3.8678 7.9813 119.5436 59.7690 29.4797 179.0646 40 A 3.9986 7.9631 119.9134 55.0588 18.4443 179.3095 41 A 4.0253 8.3673 119.6824 55.2644 18.3568 179.4154 42 E 3.8794 8.3040 117.5928 59.4839 29.8031 179.0619 43 K 3.8894 7.8972 118.0909 59.3772 31.9030 178.9899 44 L 4.0836 7.9105 119.2524 58.3020 42.1963 178.6165 45 G 4.0089 8.1117 104.4257 48.3602 0.0000 175.2139 46 S 4.4898 8.2959 116.0169 59.6535 63.2351 174.5534 47 N 5.0391 7.9922 119.8614 53.1763 39.3841 175.9225 48 H 4.3720 8.3359 115.8313 58.1488 28.5440 176.6178 49 E 3.9580 8.0153 120.6564 59.0859 29.3512 178.7979 50 A 4.0157 7.9984 120.2147 55.3658 18.3832 179.6719 51 V 3.6726 7.9971 116.5665 66.0879 31.6178 178.0783 52 V 4.1229 8.2436 111.0709 62.3770 31.7278 178.3576 53 K 4.2828 8.5860 120.8315 59.5376 32.1219 178.3329 54 E 3.9771 8.1841 118.2473 59.6036 28.9823 179.3724 55 A 4.1667 8.0635 120.8232 55.1125 17.9433 179.8784 56 G 2.7505 8.3684 104.6482 47.6569 0.0000 175.6343 57 D 4.5178 8.3733 121.0608 57.0698 40.9467 178.4174 58 A 3.6490 7.3743 121.1836 55.2955 18.1581 178.9914 59 C 3.7469 7.7056 116.2819 62.8837 31.3132 175.7166 60 F 4.5168 7.2894 115.9169 59.7798 38.6007 177.8552 61 S 4.2583 8.2077 115.2897 61.2060 62.6737 176.2279 62 K 3.8715 7.5905 120.9254 58.5527 33.6454 177.0470 63 Y 5.0408 7.8251 117.2203 56.4140 37.3877 176.8105 64 G 3.9046 8.1224 109.0273 47.4003 0.0000 172.4564 65 Y 4.3270 8.3809 118.4159 59.8161 38.4486 177.9862 66 N 3.7437 7.6676 118.2540 55.9417 38.6821 176.6466 *69 K 4.8889 7.7630 114.2173 55.9075 34.2981 175.6790 70 N 4.6951 8.1390 117.3949 51.4941 39.4129 172.8549 71 P 4.4103 0.0000 0.0000 64.5381 31.7269 176.9679 72 G 3.8956 9.1999 110.5407 45.7390 0.0000 172.5907 73 E 4.6479 7.9245 118.7668 53.5012 32.3135 176.6396 74 A 4.0021 8.5562 122.7021 54.9686 18.5281 178.6362 75 G 4.3225 8.3652 105.4600 44.9962 0.0000 174.9680 76 E 4.2320 8.1635 119.5989 58.1063 30.1960 176.5835 77 N 4.9883 7.6075 116.3195 50.3412 41.8046 174.7869 78 Q 3.9061 8.5351 120.9457 59.3473 29.2169 177.8734 79 E 4.1907 8.2384 119.1160 59.1353 29.3193 179.3981 80 K 4.0614 7.8583 117.1722 59.2492 32.3436 179.2863 81 I 3.9092 7.6596 119.9839 64.5642 37.0382 178.0391 82 N 4.3901 8.6583 117.5938 56.6248 38.2158 177.6827 83 K 4.1295 7.7563 117.7842 59.2835 32.4482 178.7989 84 C 4.1913 8.4421 119.6142 62.7105 31.5085 175.1851 85 Y 4.0218 8.4047 118.3969 60.9959 37.4162 178.4394 86 R 3.9120 8.2689 119.7418 59.7431 30.0882 178.3122 87 D 4.5687 8.1154 118.2483 57.2316 40.9791 178.8008 88 I 4.1566 7.8332 120.0721 64.1436 37.0935 177.7554 89 D 4.3942 8.3483 119.2840 57.5369 40.9877 177.6880 90 H 4.1875 8.2341 116.7780 59.4888 28.6822 177.3082 91 Y 4.2915 8.3441 118.2288 61.4494 37.7332 178.4698 92 M 4.0944 8.2701 119.1714 57.7002 32.0829 178.8443 93 R 3.6421 8.2016 119.6857 59.2067 30.3996 178.4630 94 L 4.1763 8.1744 118.7874 57.4788 41.4806 179.3956 95 I 3.8476 7.9622 120.3616 63.8370 36.9464 177.7507 96 N 4.3401 8.0953 118.2581 56.7719 38.7270 176.5542 97 Y 4.3921 8.0927 118.1849 61.5272 37.9450 178.6338 98 T 3.9601 7.9304 116.3363 66.6092 68.3155 176.6406 99 L 3.9690 7.9458 119.8532 57.7408 41.7556 179.4416 100 V 3.7541 7.8432 116.9666 66.0656 31.5954 177.8706 101 V 3.6969 7.6667 116.6357 64.7121 32.0799 176.3621 102 G 3.6236 8.6507 104.2279 45.5415 0.0000 173.0290 103 G 3.8542 7.1588 105.2291 44.6400 0.0000 173.5211 104 T 4.2389 7.5607 113.1125 61.4547 67.2839 176.3207 105 G 3.6376 7.5138 108.2488 47.8097 0.0000 173.9364 106 P 3.3471 0.0000 0.0000 64.8392 31.2651 178.2888 107 L 3.9635 7.2789 118.2955 58.5017 42.0800 178.2270 108 D 4.4420 8.2251 118.8017 57.8227 40.8296 178.9801 109 E 3.8624 8.2261 118.2334 59.3411 29.4402 179.3317 110 W 4.8138 7.8634 116.5546 57.6355 29.9534 177.5662 111 G 3.9998 8.5807 106.5573 46.6231 0.0000 174.6731 112 I 4.0471 7.7541 119.8370 62.9106 37.9660 175.9930 113 A 4.0206 7.7549 123.9332 53.4151 18.6735 177.2901 114 G 3.9329 9.0555 112.0300 45.6203 0.0000 175.1899 115 A 3.3147 7.6124 121.9438 55.1758 17.9474 179.3362 116 R 3.7630 7.8875 116.4436 59.7185 29.9488 178.3642 117 E 3.8864 7.8536 117.4304 59.3128 29.6761 178.9794 118 V 3.5652 7.3156 117.6942 66.3360 31.6328 177.3155 119 Y 4.6187 8.0225 115.3702 59.5999 37.9103 177.8414 120 R 3.9827 7.5057 120.8217 59.6078 30.2657 178.4431 121 T 4.0159 7.8701 113.4691 65.6034 68.5250 175.0046 122 L 4.4884 7.5872 119.0493 53.4254 43.4131 175.4211 123 N 4.1200 7.8616 116.2385 54.8445 37.2754 174.1680 124 L 4.6994 8.1183 117.0801 52.3441 44.4150 175.5721 125 P 4.5453 0.0000 0.0000 62.0698 32.4864 177.7897 126 S 4.1515 8.8033 118.5356 61.7240 62.8593 176.7603 127 A 3.9951 8.0581 122.6709 54.9109 17.9197 179.5591 128 A 3.9132 7.5363 119.3383 55.6782 18.5558 179.4709 129 Y 3.4569 7.8090 114.7341 61.0323 37.8929 178.8055 130 I 3.5233 7.8124 120.5688 64.1266 37.0222 178.2759 131 A 4.0676 8.1597 121.5143 55.0344 18.2563 179.5446 132 A 4.0818 7.4909 120.5863 54.8589 18.5138 179.9176 133 F 4.4801 7.4117 115.8201 60.5237 38.9406 178.3407 134 V 3.6902 8.4576 118.5479 65.9916 31.2248 177.4515 135 F 3.9896 8.1081 120.5421 61.7353 38.9919 176.9931 136 T 3.9471 8.1217 115.0713 66.7505 68.1930 176.4155 137 R 4.1472 8.0155 120.1324 59.7101 30.0897 178.1320 138 D 4.5318 8.1886 116.3786 55.8250 41.0767 177.6628 139 R 3.9893 7.6172 118.2023 55.5600 30.4036 175.8211 140 L 3.9921 6.9203 118.9527 55.4789 42.7345 176.2346 140A C 4.6104 8.3285 123.6496 57.7442 32.4448 173.5277 140B I 5.0834 8.3428 122.7067 59.9719 38.1204 175.2561 140C P 4.7128 0.0000 0.0000 65.0265 33.6810 175.5841 140D R 3.8636 7.7825 119.2708 59.1551 30.0840 177.7583 140C D 4.9328 8.1157 120.6495 55.9265 42.6810 174.5841 140D M 4.0036 7.8325 118.3708 58.5551 32.0840 177.7583 145 S 4.3216 8.6355 115.0006 57.9550 64.9673 175.3019 146 A 3.9472 8.3629 123.3524 55.7123 18.0214 180.0878 147 Q 3.9954 8.0139 114.2997 58.8821 29.1279 178.3990 148 A 4.4206 7.7761 121.8002 54.9568 18.3699 179.9134 149 G 3.5707 8.2419 104.5540 47.8262 0.0000 175.9063 150 V 3.4875 7.8036 120.7132 65.8347 31.7315 177.6732 *161 E 4.3231 7.9626 116.6079 56.4076 31.2411 178.1329 162 F 4.2472 8.4830 120.6196 61.3283 39.4155 176.7309 163 C 4.2941 8.4270 113.0864 60.2126 29.8518 175.1112 164 T 4.1446 8.0474 117.4142 64.8888 68.3514 176.6179 165 A 3.9488 7.5400 122.6445 54.9050 18.3849 179.6553 166 L 3.7311 7.4477 116.7877 57.8204 41.5779 179.4066 167 D 4.3474 8.3408 119.1589 57.5624 40.8846 177.9864 168 Y 3.9673 8.2399 120.2226 60.7035 38.5930 178.2310 169 L 3.9086 7.7769 120.9031 58.0586 41.9838 179.0066 170 I 3.9126 7.5780 111.9510 64.1201 37.8272 177.6239 171 N 4.4106 8.4331 118.4049 56.0605 38.0341 177.4698 172 S 4.0259 7.4456 115.4834 61.3047 62.9967 175.2614 173 L 4.4595 7.4302 117.9281 54.7892 41.5662 177.0979 174 S 4.3373 7.7910 121.2859 58.6723 63.2489 173.8355 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 8.25 4.56 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 2 K 8.29 4.03 0.00 1.89 1.58 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.46 7.81 3 S 8.46 4.78 0.00 3.83 3.86 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 4 V 8.50 3.55 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 1.08 0.00 0.00 0.95 0.00 0.00 5 I 7.60 3.72 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.82 0.90 0.00 0.00 6 T 7.98 3.88 4.30 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 1.19 0.00 0.00 7 T 7.99 3.89 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 1.20 0.00 0.00 8 T 7.66 3.84 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 1.28 0.00 0.00 9 I 7.60 3.77 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.41 0.89 0.00 0.00 10 S 7.85 4.09 0.00 4.08 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 11 A 8.05 3.99 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 12 A 8.17 3.91 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 13 D 8.50 4.21 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 14 A 8.32 4.00 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 15 A 7.53 4.46 1.31 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 0.00 0.00 16 G 7.93 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 0.00 0.00 0.00 17 R 7.66 4.71 0.00 1.97 1.93 0.00 3.09 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 18 Y 8.49 4.16 0.00 2.91 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 19 P 0.00 4.50 0.00 2.21 2.12 0.00 3.87 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 20 S 9.23 4.84 0.00 3.98 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 21 T 8.65 3.85 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 1.21 0.00 0.00 22 S 8.12 4.13 0.00 3.89 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 23 D 7.92 4.44 0.00 2.84 2.72 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 24 L 7.54 4.05 0.00 1.79 1.73 0.92 1.37 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 25 Q 8.69 4.13 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 26 S 8.47 4.13 0.00 4.10 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 27 V 7.73 3.76 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 0.97 0.00 0.00 1.06 0.00 0.00 28 Q 8.21 4.12 0.00 2.30 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 29 G 7.89 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 30 N 7.99 4.31 0.00 2.72 3.04 0.00 0.00 7.00 7.94 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 31 I 7.62 3.91 2.07 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 1.52 0.76 0.91 0.00 0.00 32 Q 7.77 4.00 0.00 2.18 2.16 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 2.60 2.51 0.00 33 R 8.25 4.10 0.00 1.92 1.90 0.00 3.16 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 34 A 7.66 3.97 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 35 A 8.05 3.97 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 36 A 7.94 3.99 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 37 R 8.15 3.91 0.00 1.94 2.05 0.00 3.31 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 1.83 1.92 0.00 38 L 8.18 4.00 0.00 1.71 1.74 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.98 3.87 0.00 2.23 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 2.32 2.51 0.00 40 A 7.96 4.00 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 41 A 8.37 4.03 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 42 E 8.30 3.88 0.00 2.37 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 2.33 2.52 0.00 43 K 7.90 3.89 0.00 2.06 1.79 0.00 1.61 0.00 0.00 1.91 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.46 7.81 44 L 7.91 4.08 0.00 1.99 1.92 1.02 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.11 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 46 S 8.30 4.49 0.00 3.87 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 47 N 7.99 5.04 0.00 2.90 2.72 0.00 0.00 6.82 7.92 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 48 H 8.34 4.37 0.00 3.41 3.88 0.00 5.52 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.02 3.96 0.00 2.06 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 2.37 2.42 0.00 50 A 8.00 4.02 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 51 V 8.00 3.67 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 6.85 8.53 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 71 P 0.00 4.41 0.00 2.07 2.02 0.00 4.01 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.99 0.00 72 G 9.20 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 73 E 7.92 4.65 0.00 2.24 1.79 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 2.54 2.62 0.00 74 A 8.56 4.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.37 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.16 4.23 0.00 2.16 2.45 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 2.31 2.25 0.00 77 N 7.61 4.99 0.00 3.06 2.89 0.00 0.00 5.91 7.07 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 78 Q 8.54 3.91 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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1.67 0.00 87 D 8.12 4.57 0.00 3.15 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 88 I 7.83 4.16 2.08 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.10 1.03 0.00 0.00 89 D 8.35 4.39 0.00 2.98 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 90 H 8.23 4.19 0.00 3.38 3.22 0.00 5.67 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 91 Y 8.34 4.29 0.00 3.43 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 92 M 8.27 4.09 0.00 2.12 2.28 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.97 0.00 93 R 8.20 3.64 0.00 1.90 1.82 0.00 3.03 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.39 0.00 94 L 8.17 4.18 0.00 1.94 1.87 0.97 1.38 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 95 I 7.96 3.85 1.78 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 Y 7.81 3.46 0.00 2.90 2.46 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 0.00 130 I 7.81 3.52 1.98 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 1.52 0.63 0.94 0.00 0.00 131 A 8.16 4.07 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 0.00 132 A 7.49 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 F 7.41 4.48 0.00 2.98 2.94 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 0.00 134 V 8.46 3.69 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 1.12 0.00 0.00 1.01 0.00 0.00 135 F 8.11 3.99 0.00 3.24 3.24 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 0.00 136 T 8.12 3.95 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 1.49 0.00 0.00 137 R 8.02 4.15 0.00 2.16 2.17 0.00 3.28 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 138 D 8.19 4.53 0.00 2.72 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 0.00 139 R 7.62 3.99 0.00 1.59 1.76 0.00 3.33 0.00 0.00 3.02 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 1.56 0.00 140 L 6.92 3.99 0.00 1.87 1.53 1.04 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 140A C 8.33 4.61 0.00 2.88 2.93 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 140B I 8.34 5.08 1.86 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 1.09 1.88 0.94 0.00 0.00 140C P 0.00 4.71 0.00 2.14 2.15 0.00 3.76 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.89 0.00 140D R 7.78 3.86 0.00 1.79 1.95 0.00 3.11 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 140C D 8.12 4.93 0.00 2.57 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 140D M 7.83 4.00 0.00 2.04 2.20 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 2.58 2.52 0.00 145 S 8.64 4.32 0.00 4.07 4.07 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 0.00 0.00 0.00 146 A 8.36 3.95 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 0.00 147 Q 8.01 4.00 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.03 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 148 A 7.78 4.42 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 0.00 149 G 8.24 3.57 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 0.00 0.00 0.00 150 V 7.80 3.49 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 1.04 0.00 0.00 1.02 0.00 0.00 *161 E 7.96 4.32 0.00 2.29 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 2.56 2.27 0.00 162 F 8.48 4.25 0.00 3.05 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 0.00 163 C 8.43 4.29 0.00 3.25 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 0.00 164 T 8.05 4.14 4.34 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 1.24 0.00 0.00 165 A 7.54 3.95 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 0.00 166 L 7.45 3.73 0.00 1.77 1.61 0.77 0.27 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 0.00 167 D 8.34 4.35 0.00 2.92 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 0.00 168 Y 8.24 3.97 0.00 3.13 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 0.00 169 L 7.78 3.91 0.00 1.80 1.35 -0.39 0.74 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 0.00 170 I 7.58 3.91 1.97 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 1.55 1.02 1.05 0.00 0.00 171 N 8.43 4.41 0.00 2.84 2.78 0.00 0.00 6.98 8.15 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 0.00 172 S 7.45 4.03 0.00 3.99 3.88 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 0.00 0.00 0.00 173 L 7.43 4.46 0.00 1.68 1.73 1.12 1.32 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 0.00 174 S 7.79 4.34 0.00 3.93 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 * Residues marked with a * may have inaccurate shift predictions.