NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.4113 8.3393 107.9891 46.2333 0.0000 172.8781 1 S 3.9953 6.4317 115.4331 55.7156 66.5579 172.4026 2 F 4.9656 9.5192 125.5492 58.0792 41.0261 175.9025 3 T 4.0549 7.4938 122.7700 60.6408 70.5818 171.9266 4 P 4.1727 0.0000 0.0000 62.8588 31.6156 177.2966 5 S 4.5239 8.1370 116.7502 56.4524 64.7911 175.1635 6 G 4.2501 7.5664 110.8363 45.6038 0.0000 168.4631 7 T 4.6243 7.7735 110.2066 60.6285 72.1204 173.1172 8 T 5.0489 8.4735 117.5896 61.7544 70.9581 174.2506 9 G 4.2358 9.0450 113.3286 44.7239 0.0000 172.2519 10 T 5.0821 8.4655 119.9752 61.8766 71.3638 173.3933 11 T 4.5092 9.0561 124.0849 62.0027 70.2458 173.9631 12 K 5.1837 8.6170 125.4791 54.5869 35.6228 175.5449 13 L 4.8042 9.0614 125.1745 54.1064 46.0482 174.4653 14 T 5.0297 8.9205 123.2709 62.1765 70.6175 173.6594 15 V 4.8001 9.0414 127.6678 61.7492 33.7570 174.7614 16 T 4.9191 8.6380 116.5900 59.9338 72.9369 172.8951 17 E 4.5062 8.5007 121.3722 54.8686 31.2136 176.5818 18 K 3.8682 8.6737 120.0324 59.8681 32.0703 176.4417 19 C 4.2814 7.9427 119.7213 58.6752 31.1755 171.9174 20 Q 4.4546 8.5684 128.4298 54.0697 30.5991 174.7126 21 V 4.1501 8.2742 125.1069 61.0332 32.0831 174.7090 22 R 4.2256 8.4322 127.1764 55.2954 30.4317 176.3654 23 V 4.2238 8.3278 123.0973 61.8959 33.6781 176.7135 24 G 3.8312 8.6185 115.7252 44.7843 0.0000 172.5847 25 D 4.4730 8.4918 118.5618 53.9712 41.4416 176.1435 26 L 4.0523 8.3217 123.8752 55.6570 42.5400 176.2678 27 T 4.6668 7.9462 114.1093 59.5968 72.2497 173.1173 28 V 3.9235 8.2105 121.6085 62.7838 32.3354 174.5042 29 A 5.2383 8.4438 128.6604 50.4766 22.4117 175.0252 30 K 4.9113 9.0778 119.7566 54.7196 37.0919 176.5607 31 T 4.5869 9.1276 113.7844 61.0429 69.8092 176.0813 32 R 3.9980 8.6448 120.2937 59.2506 29.0737 179.2272 33 G 3.6433 7.4573 105.6845 46.9546 0.0000 174.7164 34 Q 4.3349 7.8507 118.2855 56.0055 30.6033 176.2060 35 L 4.3388 7.4113 123.2263 53.6500 40.8609 175.8671 36 T 4.5740 7.1888 110.8553 59.8994 71.0073 174.4007 37 D 4.4204 8.3954 121.5628 55.9062 41.4269 176.3942 38 A 3.7537 9.1805 127.9453 52.0245 17.4202 177.5841 39 A 4.3283 7.8843 120.1626 51.3525 19.3640 175.8224 40 P 4.5914 0.0000 0.0000 63.2490 31.7492 176.0609 41 I 4.1571 8.9101 123.9632 61.0600 38.7454 176.4812 42 G 4.3507 7.1282 112.2294 45.3983 0.0000 170.1722 43 P 4.9424 0.0000 0.0000 61.8132 33.4425 175.5276 44 V 4.4177 8.5603 121.2384 61.2022 34.0364 174.8353 45 T 4.5769 8.5647 118.6595 61.5927 70.0743 174.2160 46 V 4.5249 8.7033 123.2650 61.4478 35.1472 174.2126 47 Q 4.6576 8.8208 125.4316 54.3983 31.5836 174.1219 48 A 4.8284 8.7329 126.3764 50.6986 20.7745 176.2787 49 L 4.5453 8.0366 119.1638 53.6259 45.8435 176.6273 50 G 3.9123 8.9615 109.9761 46.9030 0.0000 173.4995 51 C 4.7565 7.9679 116.3141 58.7288 28.7933 176.1614 52 D 4.3333 8.4160 121.7199 55.7889 38.8731 176.8472 53 A 4.6961 7.8238 119.9820 51.4453 19.6766 175.3930 54 R 4.6885 7.6438 116.6135 55.7899 35.0517 174.5804 55 Q 4.7180 8.4983 120.1359 54.5641 30.1629 175.6399 56 V 4.1891 8.3470 124.5143 63.5215 33.0179 174.4996 57 A 5.5579 9.4782 127.0760 50.8622 23.4621 174.8636 58 L 5.4461 9.3921 119.1957 52.8487 45.5978 175.5547 59 K 4.7054 8.8961 124.9794 54.3352 34.3445 175.0953 60 A 4.8849 8.5917 129.4893 51.2748 19.7330 176.9954 61 D 4.5134 8.6881 120.3639 54.7819 41.9476 177.9277 62 T 3.6322 8.9752 118.0874 67.1934 68.5340 175.6044 63 D 4.5322 8.0060 117.3832 55.4965 41.2054 176.2566 64 N 4.6734 8.6726 116.7137 51.7827 39.1777 174.0789 65 F 4.7036 6.6571 111.6811 55.7349 41.7262 174.0628 66 E 4.7684 8.9542 117.4488 56.0924 31.5482 176.8339 *68 G 3.8184 7.9193 105.5343 44.7017 0.0000 171.0320 69 K 4.6662 7.7805 119.0273 54.3322 35.0304 175.0493 70 F 5.3763 8.3780 120.1945 56.1399 41.9601 174.4716 71 F 5.3746 8.2049 114.4140 55.8789 41.2862 173.6422 72 L 4.5724 8.9630 121.5053 54.8937 43.1891 175.7149 73 I 5.2330 8.6411 121.4434 58.9751 41.3922 175.1868 74 S 4.4610 8.6016 123.0830 57.5049 63.6863 174.8734 75 D 4.2308 8.4890 120.8038 57.4866 40.5845 177.5329 76 N 4.4833 7.8982 113.1414 52.4611 37.5676 175.0320 77 N 4.2591 8.1421 116.2100 54.3440 38.5207 174.4812 78 R 4.1662 8.4065 117.1871 58.5629 30.8906 175.9864 79 D 4.9732 8.1959 117.9245 52.6848 42.9403 175.8335 80 K 4.8393 8.4876 121.5598 54.5644 34.8457 175.9372 81 L 4.6171 8.6290 125.6982 52.9663 43.9160 174.7157 82 Y 4.8434 9.0922 124.3916 58.2945 38.9649 175.8436 83 V 5.2028 8.8473 115.7023 59.9481 36.4717 174.3446 84 N 5.1239 9.3517 119.3913 51.6887 41.4351 173.9312 85 I 4.6921 8.0019 122.9724 59.4046 39.4750 175.1502 86 R 4.6678 8.6054 127.0659 53.9900 33.7024 172.4581 87 P 4.9683 0.0000 0.0000 63.0737 31.6219 176.7169 88 T 4.2296 8.9089 112.8995 64.3466 69.5326 174.2543 89 D 4.8558 8.1037 120.8832 52.5344 41.7249 175.7161 90 N 4.9002 8.6506 117.2174 53.5305 38.5645 175.6340 91 S 4.2989 8.3072 113.2796 58.1848 63.9258 173.1427 92 A 4.6910 8.2784 124.1463 50.7901 20.3737 176.2057 93 W 5.0095 8.6207 120.8742 55.0171 33.5715 174.6319 94 T 4.4166 8.1909 116.9203 61.9837 72.1088 173.1555 95 T 5.0330 8.2459 120.5968 62.0387 70.8948 174.1528 96 D 4.2767 9.3028 125.7556 53.1473 42.9754 174.2001 97 N 3.9590 9.7967 128.1743 54.4179 37.1504 174.6908 98 G 2.2700 7.3413 105.9831 44.3952 0.0000 171.5076 99 V 4.5943 7.3031 120.4046 60.9622 34.1106 174.1802 100 F 5.4785 9.5081 130.9975 56.8774 41.0364 173.4224 101 Y 5.2850 8.2369 125.0324 54.6921 40.5770 174.8822 102 K 2.7847 8.0756 122.8184 55.6503 32.6905 177.6815 103 N 4.4696 8.3617 124.7483 55.2441 38.9330 174.7746 104 D 4.8695 6.9070 113.6710 51.9363 43.7155 175.9006 105 V 3.9184 7.8665 116.9250 60.8483 32.5236 174.6408 106 G 4.1715 7.5969 106.3598 43.7973 0.0000 175.1257 107 S 4.6096 8.1535 119.5392 57.0676 61.1138 173.2643 108 W 4.4718 8.4665 133.3641 57.1365 32.3377 174.6008 109 G 4.0987 7.7816 112.6792 44.1055 0.0000 172.1785 110 G 3.1891 7.2365 109.7500 45.9269 0.0000 171.2443 111 I 4.9668 7.7216 119.5204 59.4496 40.3079 175.0302 112 I 4.6085 9.0124 127.9755 59.5403 39.3503 175.0528 113 G 3.9890 9.2379 115.5143 45.2213 0.0000 172.3041 114 I 4.7989 7.4973 123.9599 59.4627 39.5421 174.3759 115 Y 5.1728 8.5532 124.3878 55.5497 42.1518 175.4473 116 V 3.8736 8.9070 123.1403 63.4892 32.7960 174.5814 117 D 4.8048 9.2857 129.1307 54.0780 40.7651 176.6616 118 G 4.0099 9.4786 110.4740 44.9213 0.0000 171.1890 119 Q 4.0362 8.3851 121.2901 56.5741 29.6674 176.6933 120 Q 4.6744 8.7558 127.3139 55.7542 29.7727 176.6170 121 T 4.9514 8.0194 105.1031 62.6176 69.1759 174.4321 122 N 4.7959 7.7929 118.3126 53.2345 39.1482 174.9940 123 T 3.9052 7.5193 116.2438 63.1230 68.9033 172.5094 124 P 4.4589 0.0000 0.0000 61.6971 32.0970 174.5408 125 P 4.5844 0.0000 0.0000 62.2456 32.2545 176.2835 126 G 3.9453 7.9269 108.8263 46.8284 0.0000 170.0877 127 N 5.4836 7.8220 116.8191 51.8535 40.5756 174.1089 128 Y 5.1381 9.4056 121.6170 56.5732 41.4822 175.0254 129 T 5.2205 8.8582 118.2534 61.8503 73.7055 172.6743 130 L 5.1025 9.0981 126.5360 53.7235 45.3871 174.9892 131 T 5.0850 8.9230 123.1890 61.7897 71.1797 173.4067 132 L 5.1916 8.8798 125.8447 53.2514 45.3411 175.4918 133 T 4.9889 9.0383 121.0488 61.7359 71.2097 174.3802 134 G 4.1920 9.1687 113.5463 46.2497 0.0000 173.9283 135 G 4.2032 8.4898 108.9143 45.4683 0.0000 171.5708 136 Y 5.4617 6.8336 117.1127 55.3009 41.9714 174.1160 137 W 5.2230 8.9131 130.5477 56.2096 32.8182 175.8839 138 A 4.0163 7.4017 126.3845 52.6871 19.5367 176.1242 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 8.34 3.41 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 0.00 1 S 6.43 4.00 0.00 3.67 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 2 F 9.52 4.97 0.00 3.29 3.07 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 3 T 7.49 4.05 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 0.72 0.00 0.00 4 P 0.00 4.17 0.00 1.90 2.10 0.00 3.51 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 2.06 2.30 0.00 5 S 8.14 4.52 0.00 3.80 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 G 7.57 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 0.00 0.00 0.00 0.00 7 T 7.77 4.62 4.28 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 1.25 0.00 0.00 8 T 8.47 5.05 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 1.31 0.00 0.00 9 G 9.05 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 T 8.47 5.08 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 11 T 9.06 4.51 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 1.16 0.00 0.00 12 K 8.62 5.18 0.00 1.60 1.69 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.39 7.81 13 L 9.06 4.80 0.00 1.70 1.49 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.92 5.03 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 1.30 0.00 0.00 15 V 9.04 4.80 2.21 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 0.95 0.00 0.00 0.66 0.00 0.00 16 T 8.64 4.92 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 17 E 8.50 4.51 0.00 1.99 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 2.30 2.24 0.00 18 K 8.67 3.87 0.00 1.71 1.85 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.39 7.81 19 C 7.94 4.28 0.00 2.97 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 20 Q 8.57 4.45 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.68 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 21 V 8.27 4.15 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 0.90 0.00 0.00 0.93 0.00 0.00 22 R 8.43 4.23 0.00 1.84 1.87 0.00 3.22 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 23 V 8.33 4.22 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 0.81 0.00 0.00 0.98 0.00 0.00 24 G 8.62 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 0.00 0.00 0.00 25 D 8.49 4.47 0.00 2.68 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 26 L 8.32 4.05 0.00 1.58 1.57 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.95 4.67 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 1.29 0.00 0.00 28 V 8.21 3.92 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.92 0.00 0.00 29 A 8.44 5.24 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 30 K 9.08 4.91 0.00 1.62 1.62 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.35 7.81 31 T 9.13 4.59 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 1.26 0.00 0.00 32 R 8.64 4.00 0.00 2.21 2.32 0.00 2.85 0.00 0.00 3.18 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.64 0.00 33 G 7.46 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 0.00 0.00 0.00 34 Q 7.85 4.33 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.46 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 35 L 7.41 4.34 0.00 1.88 1.58 0.85 0.59 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 36 T 7.19 4.57 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 37 D 8.40 4.42 0.00 2.64 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 38 A 9.18 3.75 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 39 A 7.88 4.33 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 40 P 0.00 4.59 0.00 2.05 2.15 0.00 3.80 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 41 I 8.91 4.16 1.86 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 1.11 0.56 0.85 0.00 0.00 42 G 7.13 4.35 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 0.00 0.00 0.00 43 P 0.00 4.94 0.00 2.03 1.99 0.00 3.64 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.91 0.00 44 V 8.56 4.42 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 0.86 0.00 0.00 0.83 0.00 0.00 45 T 8.56 4.58 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 1.18 0.00 0.00 46 V 8.70 4.52 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 1.47 0.00 0.00 1.15 0.00 0.00 47 Q 8.82 4.66 0.00 1.92 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.60 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 48 A 8.73 4.83 1.43 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 49 L 8.04 4.55 0.00 1.48 1.53 0.95 0.92 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 50 G 8.96 3.91 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 0.00 0.00 0.00 51 C 7.97 4.76 0.00 3.01 2.89 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 52 D 8.42 4.33 0.00 2.75 2.81 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 53 A 7.82 4.70 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 54 R 7.64 4.69 0.00 1.50 1.55 0.00 2.99 0.00 0.00 3.00 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.82 0.00 55 Q 8.50 4.72 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.07 0.00 0.00 0.00 0.00 0.00 2.60 2.36 0.00 56 V 8.35 4.19 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 1.43 0.00 0.00 1.17 0.00 0.00 57 A 9.48 5.56 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 0.00 0.00 0.00 0.00 0.00 58 L 9.39 5.45 0.00 1.64 1.57 1.10 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.90 4.71 0.00 0.79 0.78 0.00 1.17 0.00 0.00 1.56 0.00 0.00 2.76 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.16 1.07 7.81 60 A 8.59 4.88 1.43 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 61 D 8.69 4.51 0.00 2.97 2.65 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 0.00 0.00 0.00 0.00 62 T 8.98 3.63 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 1.05 0.00 0.00 63 D 8.01 4.53 0.00 2.68 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 64 N 8.67 4.67 0.00 2.92 2.75 0.00 0.00 6.72 7.72 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 65 F 6.66 4.70 0.00 2.85 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 66 E 8.95 4.77 0.00 2.32 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 2.18 2.16 0.00 *68 G 7.92 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 69 K 7.78 4.67 0.00 2.30 2.06 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.77 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.39 1.39 7.81 70 F 8.38 5.38 0.00 3.01 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 F 8.20 5.37 0.00 2.87 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 72 L 8.96 4.57 0.00 1.76 1.83 0.93 0.75 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 73 I 8.64 5.23 2.19 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.37 0.95 0.00 0.00 74 S 8.60 4.46 0.00 3.45 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 75 D 8.49 4.23 0.00 2.58 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 76 N 7.90 4.48 0.00 2.78 2.86 0.00 0.00 6.00 8.04 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 77 N 8.14 4.26 0.00 2.83 2.95 0.00 0.00 6.99 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 R 8.41 4.17 0.00 1.82 1.93 0.00 3.27 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 79 D 8.20 4.97 0.00 2.72 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 80 K 8.49 4.84 0.00 1.01 0.74 0.00 0.99 0.00 0.00 0.61 0.00 0.00 2.29 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.46 0.96 7.81 81 L 8.63 4.62 0.00 1.31 1.41 0.85 0.70 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 82 Y 9.09 4.84 0.00 3.10 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 83 V 8.85 5.20 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 0.79 0.00 0.00 0.96 0.00 0.00 84 N 9.35 5.12 0.00 2.65 2.71 0.00 0.00 7.22 7.36 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 85 I 8.00 4.69 0.75 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.15 -0.05 0.00 0.00 86 R 8.61 4.67 0.00 1.84 1.81 0.00 3.07 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 87 P 0.00 4.97 0.00 2.47 1.71 0.00 3.79 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.65 0.00 88 T 8.91 4.23 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 1.29 0.00 0.00 89 D 8.10 4.86 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 90 N 8.65 4.90 0.00 2.79 2.91 0.00 0.00 6.82 7.57 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 91 S 8.31 4.30 0.00 3.91 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 92 A 8.28 4.69 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 93 W 8.62 5.01 0.00 2.39 1.89 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 94 T 8.19 4.42 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 0.84 0.00 0.00 95 T 8.25 5.03 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 1.25 0.00 0.00 96 D 9.30 4.28 0.00 2.54 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 0.00 0.00 0.00 0.00 97 N 9.80 3.96 0.00 2.88 2.84 0.00 0.00 7.38 7.98 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 98 G 7.34 2.27 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 0.00 99 V 7.30 4.59 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.94 0.00 0.00 100 F 9.51 5.48 0.00 2.89 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 0.00 101 Y 8.24 5.29 0.00 2.93 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 0.00 102 K 8.08 2.78 0.00 0.79 0.95 0.00 0.61 0.00 0.00 1.10 0.00 0.00 2.13 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.65 0.21 7.81 103 N 8.36 4.47 0.00 2.48 2.75 0.00 0.00 6.76 8.90 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 0.00 104 D 6.91 4.87 0.00 2.50 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 V 7.87 3.92 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 0.71 0.00 0.00 0.96 0.00 0.00 106 G 7.60 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 0.00 0.00 0.00 0.00 107 S 8.15 4.61 0.00 3.81 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 0.00 108 W 8.47 4.47 0.00 3.35 3.19 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 0.00 109 G 7.78 4.10 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 0.00 0.00 0.00 110 G 7.24 3.19 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 0.00 111 I 7.72 4.97 1.89 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.97 0.90 0.00 0.00 112 I 9.01 4.61 1.79 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 1.35 1.11 0.61 0.00 0.00 113 G 9.24 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 0.00 114 I 7.50 4.80 1.73 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.75 0.78 0.00 0.00 115 Y 8.55 5.17 0.00 2.83 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 0.00 116 V 8.91 3.87 2.28 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 0.97 0.00 0.00 0.96 0.00 0.00 117 D 9.29 4.80 0.00 2.77 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 0.00 118 G 9.48 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 0.00 119 Q 8.39 4.04 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.47 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 120 Q 8.76 4.67 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.69 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 121 T 8.02 4.95 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 1.29 0.00 0.00 122 N 7.79 4.80 0.00 2.72 2.87 0.00 0.00 7.02 7.54 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 0.00 123 T 7.52 3.91 4.13 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 0.91 0.00 0.00 124 P 0.00 4.46 0.00 2.14 2.03 0.00 3.81 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.14 0.00 125 P 0.00 4.58 0.00 1.97 2.09 0.00 3.86 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 126 G 7.93 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 N 7.82 5.48 0.00 2.87 2.72 0.00 0.00 6.65 7.48 0.00 0.00 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 Y 9.41 5.14 0.00 2.91 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 0.00 129 T 8.86 5.22 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 130 L 9.10 5.10 0.00 1.70 1.44 0.89 0.61 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 0.00 131 T 8.92 5.08 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 132 L 8.88 5.19 0.00 1.52 1.49 0.75 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 133 T 9.04 4.99 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 134 G 9.17 4.19 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 0.00 135 G 8.49 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 0.00 136 Y 6.83 5.46 0.00 3.09 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 W 8.91 5.22 0.00 3.22 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 A 7.40 4.02 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 * Residues marked with a * may have inaccurate shift predictions.