NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.8055 8.3129 109.7449 45.5216 0.0000 175.8414 *2 N 4.5953 8.9459 121.2693 52.6857 40.6742 178.7226 3 D 4.7877 8.1438 115.6918 54.8576 40.0196 181.0412 4 R 4.9432 7.3891 115.1902 55.1564 33.4230 179.9617 5 K 4.5663 9.3808 121.4065 55.4972 33.3792 175.9811 6 I 5.1892 8.6300 125.6850 59.3158 40.9603 174.1972 7 L 4.8248 8.7838 127.6822 53.1614 44.7982 175.1372 8 V 4.7950 8.9767 127.0631 61.7290 32.7481 174.0899 9 A 5.4638 9.3196 131.3071 50.7624 21.4648 175.0157 10 Y 5.1635 8.2739 118.0481 55.6667 41.7275 173.3044 11 F 5.1939 9.0299 123.4629 56.6417 42.1270 174.5122 12 S 4.3921 8.0539 119.0278 57.4397 65.4057 172.8582 13 C 4.3942 8.5448 124.9762 61.1501 29.1708 174.8526 14 S 4.5841 8.0765 110.5807 57.7952 62.9727 175.0901 15 G 3.9390 8.0658 109.5649 46.5003 0.0000 176.4671 16 V 3.5297 7.6387 119.1737 66.4893 31.6623 177.9449 17 T 3.9362 7.7765 115.0110 66.1990 68.2341 176.4636 18 K 3.0190 7.9436 121.0507 59.2950 32.2061 178.5360 19 A 4.0178 7.9626 120.9268 54.9608 18.1474 179.8511 20 V 3.4104 7.6626 116.1607 66.0142 31.5871 177.9811 21 A 3.8787 8.2653 120.9400 55.3718 18.0895 179.4912 22 E 3.8036 8.1227 117.0749 59.2940 29.4807 179.5427 23 K 3.8520 7.9251 119.6981 59.2769 32.1639 178.7318 24 L 3.7796 7.9528 119.2587 57.7520 41.5505 179.2876 25 A 3.8590 7.9930 120.3587 55.0977 18.0794 179.3429 26 A 3.9101 7.8332 117.9931 55.5664 18.5273 179.6722 27 I 3.7573 7.6075 117.0409 64.3598 37.2988 178.1622 28 T 4.1359 8.0254 108.5828 61.3198 69.1208 175.6843 29 G 3.7905 7.8854 109.1006 46.0923 0.0000 173.5864 30 A 4.4785 7.3925 120.7827 51.3193 19.3591 178.1933 31 D 4.7329 8.8486 119.3641 54.2920 42.4332 175.5499 32 L 5.4245 8.4467 119.5067 53.3422 45.0681 175.6643 33 Y 4.7019 9.0642 123.2267 55.9571 42.1197 173.4267 34 E 3.2316 8.1986 128.3286 55.0172 30.5276 176.0758 35 I 3.6247 7.9492 129.2194 60.8757 37.2286 175.1683 36 K 4.6542 8.1764 127.4783 53.8050 33.8406 174.6047 37 P 4.8123 0.0000 0.0000 62.8113 31.5299 176.4351 38 E 4.1090 9.1687 122.8897 58.6318 30.2113 177.2208 39 V 4.2040 7.5316 118.4245 59.9583 32.7337 173.2207 40 P 4.4915 0.0000 0.0000 62.7506 31.8437 175.8288 41 Y 4.4714 8.7030 119.6089 57.7555 38.4540 176.6064 42 T 4.4235 8.6961 116.4379 60.4824 71.9192 175.3185 43 E 4.0767 8.7298 119.9624 59.7771 29.5214 179.5338 44 A 3.9651 7.9952 119.8736 55.4299 18.4363 179.2044 45 D 4.4724 8.2936 117.1809 56.8515 40.6025 178.0110 46 L 4.7896 7.3733 116.9625 53.4551 42.3680 176.3378 47 D 4.1765 7.7430 120.5041 53.2122 39.9526 176.7027 48 W 4.6527 7.9535 123.6807 58.0745 28.6048 176.8643 49 N 4.7034 8.2211 115.9107 53.6558 38.6623 174.1696 50 D 4.8067 7.8921 119.7243 52.1262 41.7391 176.9450 51 K 4.1257 8.7270 126.8056 58.4702 32.2382 177.9978 52 K 4.4653 8.3222 117.3880 55.9419 32.5958 177.3052 53 S 4.3537 7.8666 115.7395 57.8160 64.8141 174.8218 54 R 3.9467 8.7023 123.4838 60.0991 29.5114 178.9220 55 S 4.2979 8.1562 112.2939 61.5814 62.9391 176.2794 56 S 4.2508 7.8515 117.5687 61.2850 62.6558 176.5511 57 V 3.7949 7.8005 119.8556 65.9348 31.5787 178.7211 58 E 4.1344 8.4126 115.4538 57.0989 28.9822 178.5166 *60 R 4.0634 7.7921 113.8215 55.3822 31.3538 174.4417 61 D 4.6885 7.8624 119.5714 52.4003 41.3590 176.5237 62 A 4.0839 8.6399 130.6302 54.5501 18.5265 177.6990 63 L 4.5474 8.0146 114.0143 54.3177 42.2009 177.0740 64 S 4.3348 7.8373 114.9613 58.6687 63.3350 175.1436 65 R 4.5775 8.1108 121.8029 53.1374 30.8908 171.9854 66 P 4.2688 0.0000 0.0000 62.6073 32.3883 176.3265 67 A 4.3390 8.5066 123.9423 52.0112 19.7948 176.0869 68 I 4.8959 8.2316 120.6821 59.5303 40.0501 175.2175 69 S 4.3941 9.1965 121.9735 59.0625 62.7501 174.7037 70 G 4.2027 10.3542 112.5083 45.8768 0.0000 172.1301 71 T 4.8429 7.8725 113.9411 61.6264 72.4439 174.1771 72 L 4.1588 9.2501 127.1299 54.6681 42.0880 177.1913 73 F 4.2498 9.1309 126.5446 61.0916 40.3752 175.2100 74 H 5.3629 8.2580 114.9119 52.8274 29.3478 172.7724 75 P 4.5383 0.0000 0.0000 65.5767 31.4870 178.7793 76 E 4.1887 8.1691 116.3225 58.2563 29.7745 178.7191 77 K 3.9519 7.8514 118.7500 58.5125 32.2858 176.5827 78 Y 4.6236 7.5618 117.3484 57.1734 38.6370 175.4025 79 E 4.3275 8.9679 124.5210 57.9498 30.7812 177.1924 80 V 4.4447 7.8325 118.9589 60.7095 35.1612 173.8906 81 L 5.1313 8.4780 129.5510 53.3544 44.4840 174.9582 82 F 5.0834 9.3710 125.9306 56.6134 41.1406 175.2059 83 V 4.8765 9.3888 122.7023 61.3429 34.2822 174.3653 84 G 3.3951 8.5205 115.6972 45.0002 0.0000 171.3918 85 F 5.5124 6.9626 114.6221 55.5760 41.0017 171.3604 86 P 4.8943 0.0000 0.0000 62.5047 32.1813 176.1979 87 V 4.0297 8.6451 123.4586 63.0469 32.2372 175.2523 88 W 4.5895 9.1048 128.1217 55.6602 31.1701 175.9839 89 W 2.9304 8.7928 125.2181 57.9815 26.0404 174.9419 90 Y 3.7974 7.6461 111.6154 58.2169 35.5661 169.0046 91 I 4.7029 7.7074 112.8588 58.7026 41.0420 174.0680 92 A 3.7901 8.1737 122.9329 51.0194 18.7517 175.8130 93 P 4.3463 0.0000 0.0000 63.0118 32.0200 177.7479 94 T 4.6941 8.3682 112.7290 63.4892 68.8990 176.6054 95 I 3.6325 7.4018 121.6031 63.9167 37.7894 177.5524 96 I 3.7563 7.5811 121.0791 64.1846 36.9507 177.9146 97 N 4.4630 8.0451 116.9429 56.7017 38.2224 177.1789 98 T 3.8941 7.7659 115.8712 66.6272 68.8674 176.0405 99 F 4.4768 8.4341 122.2996 61.5771 39.3247 177.2948 100 L 4.1260 8.2255 117.2389 57.2027 41.4084 178.4072 101 E 4.3011 7.8162 116.0602 56.9082 29.8967 177.6785 102 S 4.1025 7.5163 114.9436 58.7999 63.2883 173.0308 103 Y 4.2814 6.3577 117.1743 55.9059 41.5748 174.6607 104 D 4.4273 8.0807 120.9971 53.3730 40.3441 175.3416 105 F 4.8304 8.1198 123.2269 56.7511 39.3147 175.7844 106 A 4.2950 7.8452 124.9186 54.1009 18.2495 178.8335 107 G 3.9349 9.0948 111.6687 45.1609 0.0000 173.0871 108 K 4.5595 7.6701 119.5758 54.3485 34.9686 175.8002 109 I 4.1304 8.1148 125.1128 61.2261 38.3217 174.9805 110 V 4.6315 8.3747 127.2636 60.7634 34.7682 174.3356 111 V 4.7415 8.5575 127.7973 60.3523 33.9980 172.8099 112 P 5.4621 0.0000 0.0000 62.8705 33.0715 175.1250 113 F 5.9578 9.2389 115.4495 55.1768 41.9638 172.8729 114 A 5.2855 8.6449 119.5179 50.9851 22.7548 174.9526 115 T 5.1494 8.1529 108.5917 60.3101 72.6088 172.6316 116 S 4.6870 9.0343 116.0690 57.3550 66.3852 174.0233 117 G 3.8905 9.2062 107.1906 44.3632 0.0000 173.3905 118 G 3.4317 7.4679 115.7681 45.4845 0.0000 175.6641 119 S 4.3029 7.6153 115.9943 58.1134 63.4363 174.0826 120 G 3.9254 8.2955 112.1392 45.0549 0.0000 174.0821 121 I 4.1781 8.1366 117.4694 62.1807 38.0340 177.4432 122 G 3.7198 8.0977 106.6321 48.3674 0.0000 174.9600 123 N 4.3450 8.1575 118.9908 56.3303 39.0367 176.5624 124 C 4.1364 8.0980 117.7559 62.8401 28.2803 175.7009 125 E 3.6079 8.3104 120.1329 59.3884 29.1174 179.6637 126 K 3.8290 7.9896 118.3764 59.4620 32.0374 179.2408 127 N 4.3190 7.9394 116.3337 56.1761 38.4161 177.5049 128 L 4.0042 7.6213 120.3908 58.0234 41.3757 179.2295 129 H 3.9748 7.7439 115.5961 58.7824 28.6635 177.7369 130 K 4.1401 7.7151 118.7086 59.1934 31.9623 179.0388 131 A 3.9585 7.6937 120.4788 53.7763 19.7311 177.3893 132 Y 4.9070 7.9372 114.1161 55.8946 38.4477 174.4055 133 P 4.6735 0.0000 0.0000 64.9178 32.2866 177.5010 134 D 4.6588 8.1560 116.2923 53.9610 40.1366 176.0556 135 I 3.8686 7.3308 121.4631 61.3103 37.9904 177.0411 136 V 3.9535 7.9358 126.8562 61.7178 30.3009 173.7599 137 W 4.9465 8.1982 123.7248 56.0175 29.9312 175.4446 138 K 4.8027 8.6384 123.4356 54.1401 34.6789 176.0660 139 D 4.4501 8.9329 122.5042 55.1100 41.1853 177.0059 140 G 4.5200 9.2923 112.2003 45.4359 0.0000 172.7060 141 K 4.6100 8.6255 117.2176 54.3216 36.5664 176.0403 142 L 4.4573 8.4772 126.7879 54.2869 42.6246 176.9415 143 L 4.8521 8.3532 126.4981 53.9731 40.2776 176.8413 144 N 4.5783 8.2775 114.8207 54.1873 40.3487 176.9298 145 G 4.0943 7.5107 108.7685 44.7087 0.0000 172.5841 146 Q 4.0815 8.5671 124.1307 55.4272 29.5739 175.9110 147 I 4.2486 8.2746 126.9544 60.2076 38.3333 175.6748 148 T 4.6307 7.9717 115.7870 59.6063 72.5750 175.0912 149 R 3.9159 8.3436 120.9808 59.6097 30.0266 178.3995 150 D 4.3444 8.0360 118.4634 57.0816 40.9076 178.1169 151 L 3.9641 8.0173 120.8811 58.2480 42.0828 179.3507 152 V 4.0509 7.8415 117.9421 66.3110 31.5661 178.0788 153 T 3.9193 8.2335 109.8272 64.7474 68.4837 175.9473 154 E 4.1638 8.5253 122.2617 58.8028 29.7152 178.3498 155 W 4.5190 8.5033 128.3563 60.9769 30.6606 177.8413 156 F 3.8231 8.8558 117.4659 60.4372 38.3057 177.5430 157 E 4.0995 8.6137 120.6177 60.1942 29.1561 180.2160 158 K 4.1596 8.7438 122.7305 58.9545 31.7251 179.9115 159 I 4.5066 7.6373 110.5068 59.7094 38.2857 175.6615 160 R 3.8566 7.8253 117.3109 58.0572 28.0283 176.3039 161 L 4.3560 8.1183 122.1463 54.9507 41.8770 176.8830 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 0 G 8.31 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 0.00 0.00 0.00 *2 N 8.95 4.60 0.00 2.69 2.88 0.00 0.00 6.72 8.07 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 3 D 8.14 4.79 0.00 2.71 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 R 7.39 4.94 0.00 1.84 1.65 0.00 3.23 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.44 0.00 5 K 9.38 4.57 0.00 1.80 1.80 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.42 1.29 7.81 6 I 8.63 5.19 2.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.05 1.24 0.00 0.00 7 L 8.78 4.82 0.00 0.27 1.11 0.64 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.98 4.80 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 1.16 0.00 0.00 0.79 0.00 0.00 9 A 9.32 5.46 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 10 Y 8.27 5.16 0.00 3.04 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 F 9.03 5.19 0.00 2.85 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 12 S 8.05 4.39 0.00 3.91 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 C 8.54 4.39 0.00 3.02 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 14 S 8.08 4.58 0.00 3.97 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 15 G 8.07 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 16 V 7.64 3.53 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 1.05 0.00 0.00 0.93 0.00 0.00 17 T 7.78 3.94 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 1.13 0.00 0.00 18 K 7.94 3.02 0.00 1.77 1.88 0.00 1.85 0.00 0.00 1.83 0.00 0.00 3.05 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.34 1.15 7.81 19 A 7.96 4.02 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 20 V 7.66 3.41 2.29 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 1.05 0.00 0.00 0.95 0.00 0.00 21 A 8.27 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.12 3.80 0.00 2.06 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 23 K 7.93 3.85 0.00 1.77 1.83 0.00 1.60 0.00 0.00 1.60 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.42 7.81 24 L 7.95 3.78 0.00 1.53 1.26 -0.12 1.08 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 25 A 7.99 3.86 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 26 A 7.83 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 27 I 7.61 3.76 1.92 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 1.53 0.61 0.85 0.00 0.00 28 T 8.03 4.14 4.15 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 1.12 0.00 0.00 29 G 7.89 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 0.00 0.00 0.00 30 A 7.39 4.48 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 31 D 8.85 4.73 0.00 2.71 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.45 5.42 0.00 1.59 1.73 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 33 Y 9.06 4.70 0.00 2.96 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 34 E 8.20 3.23 0.00 1.67 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.57 0.00 35 I 7.95 3.62 1.77 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.11 0.83 0.00 0.00 36 K 8.18 4.65 0.00 1.79 1.75 0.00 1.78 0.00 0.00 1.87 0.00 0.00 2.79 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.45 0.99 7.81 37 P 0.00 4.81 0.00 2.25 2.27 0.00 3.93 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.59 0.00 38 E 9.17 4.11 0.00 1.86 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 2.37 2.28 0.00 39 V 7.53 4.20 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 0.77 0.00 0.00 0.91 0.00 0.00 40 P 0.00 4.49 0.00 2.13 2.05 0.00 3.72 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 41 Y 8.70 4.47 0.00 3.15 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 42 T 8.70 4.42 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 43 E 8.73 4.08 0.00 1.98 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 2.41 2.33 0.00 44 A 8.00 3.97 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 45 D 8.29 4.47 0.00 3.16 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 46 L 7.37 4.79 0.00 1.72 1.62 1.02 1.04 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 47 D 7.74 4.18 0.00 2.58 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 W 7.95 4.65 0.00 3.33 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 49 N 8.22 4.70 0.00 2.81 2.91 0.00 0.00 6.75 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 50 D 7.89 4.81 0.00 2.85 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 51 K 8.73 4.13 0.00 2.04 1.83 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.44 1.03 7.81 52 K 8.32 4.47 0.00 2.08 1.82 0.00 1.82 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.39 1.22 7.81 53 S 7.87 4.35 0.00 4.35 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 63 L 8.01 4.55 0.00 1.79 1.72 0.93 0.70 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 64 S 7.84 4.33 0.00 4.06 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 65 R 8.11 4.58 0.00 1.77 1.87 0.00 3.43 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.60 0.00 66 P 0.00 4.27 0.00 2.08 2.12 0.00 3.81 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.25 0.00 67 A 8.51 4.34 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 68 I 8.23 4.90 1.98 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.75 1.14 0.00 0.00 69 S 9.20 4.39 0.00 3.87 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 0.00 70 G 10.35 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 0.00 0.00 0.00 0.00 71 T 7.87 4.84 4.34 0.00 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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 1.27 0.36 0.87 0.00 0.00 97 N 8.05 4.46 0.00 3.03 3.05 0.00 0.00 7.14 7.05 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 98 T 7.77 3.89 4.41 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 1.28 0.00 0.00 99 F 8.43 4.48 0.00 3.20 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.23 4.13 0.00 1.23 1.18 1.00 0.98 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 0.00 101 E 7.82 4.30 0.00 2.05 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 2.48 2.51 0.00 102 S 7.52 4.10 0.00 3.45 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 6.36 4.28 0.00 1.43 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 0.00 0.00 0.00 0.00 104 D 8.08 4.43 0.00 2.50 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 2.26 2.14 0.00 113 F 9.24 5.96 0.00 3.22 3.45 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 0.00 114 A 8.64 5.29 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 T 8.15 5.15 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 1.27 0.00 0.00 116 S 9.03 4.69 0.00 3.79 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 0.00 117 G 9.21 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 0.00 0.00 0.00 0.00 118 G 7.47 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 S 7.62 4.30 0.00 3.89 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 0.00 120 G 8.30 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 I 8.14 4.18 1.87 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 1.65 1.63 0.96 0.00 0.00 122 G 8.10 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 N 8.16 4.34 0.00 2.88 3.06 0.00 0.00 7.17 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 0.00 124 C 8.10 4.14 0.00 3.32 3.12 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 0.00 125 E 8.31 3.61 0.00 2.03 1.68 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 0.00 2.32 2.54 0.00 126 K 7.99 3.83 0.00 1.74 1.81 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.59 7.81 127 N 7.94 4.32 0.00 2.78 2.82 0.00 0.00 7.01 7.06 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 0.00 128 L 7.62 4.00 0.00 1.15 0.82 0.86 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 129 H 7.74 3.97 0.00 3.08 3.28 0.00 5.67 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 K 7.72 4.14 0.00 1.69 1.83 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.56 7.81 131 A 7.69 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 Y 7.94 4.91 0.00 3.58 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 0.00 133 P 0.00 4.67 0.00 2.11 2.19 0.00 3.76 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.27 0.00 134 D 8.16 4.66 0.00 2.85 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 I 7.33 3.87 1.30 0.00 0.00 0.50 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 0.50 -0.45 0.00 0.00 136 V 7.94 3.95 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 0.89 0.00 0.00 0.90 0.00 0.00 137 W 8.20 4.95 0.00 3.15 3.12 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 0.00 138 K 8.64 4.80 0.00 1.53 1.65 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.29 1.37 7.81 139 D 8.93 4.45 0.00 2.82 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 0.00 140 G 9.29 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.63 4.61 0.00 0.79 1.15 0.00 0.61 0.00 0.00 0.90 0.00 0.00 2.13 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.80 0.21 7.81 142 L 8.48 4.46 0.00 1.60 1.51 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.35 4.85 0.00 1.53 1.52 0.85 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 144 N 8.28 4.58 0.00 2.67 2.84 0.00 0.00 7.08 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 0.00 145 G 7.51 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 Q 8.57 4.08 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 147 I 8.27 4.25 1.83 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 1.41 0.84 0.89 0.00 0.00 148 T 7.97 4.63 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 0.00 149 R 8.34 3.92 0.00 1.87 1.95 0.00 3.15 0.00 0.00 3.30 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 150 D 8.04 4.34 0.00 2.73 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 0.00 151 L 8.02 3.96 0.00 1.77 1.86 0.86 0.58 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 0.00 152 V 7.84 4.05 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 1.13 0.00 0.00 1.09 0.00 0.00 153 T 8.23 3.92 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 154 E 8.53 4.16 0.00 2.20 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 0.00 2.40 2.39 0.00 155 W 8.50 4.52 0.00 3.68 3.53 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 0.00 156 F 8.86 3.82 0.00 3.37 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 0.00 157 E 8.61 4.10 0.00 2.29 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 2.40 2.41 0.00 158 K 8.74 4.16 0.00 1.81 1.74 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.33 7.81 159 I 7.64 4.51 1.83 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.86 1.10 0.00 0.00 160 R 7.83 3.86 0.00 2.00 2.06 0.00 3.14 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 161 L 8.12 4.36 0.00 1.43 1.58 0.43 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.