NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 I 4.1212 8.0249 121.4498 61.0992 38.0744 174.7047 21 I 4.0005 8.2603 127.2510 60.1831 38.0829 174.1893 22 D 4.5417 8.4840 125.3844 56.0843 42.4605 175.9246 23 R 4.3760 7.1830 111.6239 55.7040 31.5102 173.3320 24 I 4.1327 8.1975 119.1542 60.7020 37.8746 175.5579 25 D 4.4511 8.6528 124.7982 56.3353 41.6785 175.0853 26 H 5.1734 7.6804 110.2630 56.1534 31.2835 171.6220 27 L 4.6681 8.3699 116.9301 54.9741 43.9028 174.1828 28 V 4.7919 8.3406 119.3876 61.2171 33.3384 174.4451 29 L 4.7846 8.8360 127.9858 53.3764 44.4027 175.4629 30 T 4.9404 8.4742 120.3055 62.5953 70.1664 174.2340 31 V 4.9280 9.0694 119.8437 59.3430 35.4185 177.2988 32 S 4.4539 9.1505 117.1023 60.4291 63.4902 174.8073 33 D 4.6057 7.8050 120.3015 51.7357 43.3654 175.0615 34 I 3.7484 8.9043 129.5846 64.7874 37.2530 178.4614 35 S 4.1878 8.2630 115.1547 62.1142 62.8135 176.8462 36 T 3.9555 7.7625 116.8100 66.9654 68.1640 176.9411 37 T 4.1245 8.0190 117.5864 66.6825 68.4096 176.8524 38 I 3.8760 8.3673 122.1796 64.4941 37.0830 178.6428 39 R 3.9413 8.1354 118.8576 59.1894 29.9110 178.6993 40 F 3.9829 8.1706 120.0358 61.8137 39.3321 176.9183 41 Y 3.6089 8.2144 116.0982 60.5851 37.4494 178.4265 42 E 4.6176 8.4160 121.2334 59.0424 29.5100 179.1548 43 E 3.9031 8.1348 117.5519 58.9273 29.5780 178.6179 44 V 3.5133 7.4500 118.0091 65.1433 31.7115 176.8982 45 L 3.8652 6.9932 116.2049 54.2317 41.8442 177.4433 46 G 4.0329 7.8487 106.1864 47.0651 0.0000 173.7707 47 F 4.9864 8.1813 118.7635 57.2637 40.8038 174.4783 48 S 5.1321 9.0126 116.0239 56.7720 65.2821 173.8616 49 A 4.9249 8.9922 127.3742 51.9989 19.4285 176.8007 50 V 4.6386 8.9317 113.0129 60.2625 37.0300 174.1417 51 T 5.3090 8.6031 118.5405 61.9074 70.9893 173.4984 52 F 4.9611 8.8854 120.8343 54.3238 42.0092 174.5729 53 K 3.8867 9.5283 115.2896 57.6320 29.6220 176.1721 54 Q 4.0662 8.5637 124.8479 56.6459 28.7559 173.5889 55 N 4.9776 7.5465 109.2266 52.2921 38.7231 173.3712 56 R 4.4212 7.6907 118.4503 55.1895 31.9397 175.5391 57 K 5.2292 8.5729 121.7910 55.2054 35.0267 175.0600 58 A 5.1894 8.8315 123.2770 50.9480 23.4974 174.9597 59 L 5.1281 9.1563 119.7108 53.1435 44.5988 176.0117 60 I 4.6656 8.9806 125.7057 60.1652 39.4662 174.9426 61 F 4.7200 8.3471 118.2101 55.9250 41.2018 174.0107 62 G 3.8827 9.0030 110.9771 47.2587 0.0000 173.7545 63 A 4.5601 8.4868 123.9942 51.4631 19.5014 175.6015 64 Q 4.6464 7.4285 118.6775 56.1131 33.8435 173.8614 65 K 4.6594 7.7706 116.3400 56.5547 36.6672 174.6046 66 I 5.0658 8.6918 120.9449 59.6901 40.5196 174.8879 67 N 5.1969 9.2796 125.3144 52.7296 40.1779 174.0746 68 L 5.1798 8.8858 122.9474 53.4063 44.1523 175.6168 69 H 5.0268 9.2713 120.7333 54.0727 31.6183 172.8034 70 Q 4.8552 8.6113 124.6688 54.8106 30.4972 175.2967 71 Q 4.1498 8.5044 124.1847 57.0341 30.2029 176.5627 72 E 3.7638 8.5470 119.3676 57.4211 26.2893 174.5891 *74 E 3.6731 8.1218 116.0303 55.6550 30.0030 175.4676 75 F 4.3721 7.6610 122.5436 57.3948 39.6892 174.7653 76 E 4.9003 8.4593 122.6315 53.6252 32.0018 174.3351 77 P 4.5319 0.0000 0.0000 62.7734 32.0253 175.1812 78 K 4.6507 8.0695 117.2332 54.9027 35.8194 175.4608 79 A 4.2707 8.3224 121.3831 51.9943 18.8595 177.9282 80 S 4.3149 8.6598 115.8635 61.1499 63.3457 175.5754 81 R 4.6033 7.4585 117.2026 52.9200 30.0312 172.3415 82 P 4.2684 0.0000 0.0000 63.1894 31.9675 176.5847 83 T 4.5577 8.2824 119.0009 61.1995 71.9224 171.7372 84 P 4.8891 0.0000 0.0000 63.4173 31.9014 176.7557 85 G 3.9195 8.8780 109.5865 46.1209 0.0000 174.1393 86 S 4.5065 7.6315 111.9682 57.9669 64.0090 174.2686 87 A 4.3232 7.6380 123.9543 52.0752 19.9498 176.3461 88 D 4.9917 8.5947 119.8833 52.7775 42.8444 173.8144 89 L 4.7200 8.8985 124.7819 52.5131 45.1373 174.8289 90 C 5.1264 8.2616 122.0054 57.6809 33.7281 172.8480 91 F 4.9936 9.4833 125.1555 55.8762 41.6557 174.5693 92 I 4.8726 8.5236 122.5788 60.3139 38.4442 174.9584 93 T 4.8469 8.9564 121.9875 60.4778 69.3216 174.1403 94 S 4.5870 8.7497 120.0251 59.0632 64.2031 174.6495 95 T 4.1226 7.6162 118.9407 62.2771 69.0379 172.7153 96 P 4.2357 0.0000 0.0000 62.9552 32.0940 176.8690 97 I 3.6525 8.7213 123.5221 64.6949 37.5923 177.7241 98 N 4.3971 8.0899 116.5362 56.3443 38.4552 177.0008 99 D 4.3774 8.1819 120.3656 57.0016 40.7300 179.0341 100 V 3.5155 7.5581 118.6422 65.7623 31.5636 177.7796 101 V 3.5594 7.7499 118.0294 66.3538 31.2775 178.0742 102 S 4.1037 7.7671 114.5475 61.7294 62.7091 176.5810 103 E 3.9087 8.0898 121.0658 59.4360 29.1861 179.5034 104 I 3.6374 7.9839 119.9922 64.4123 37.2035 178.5452 105 L 3.9837 8.1853 120.0433 57.9883 41.2503 179.6753 106 Q 4.0138 8.5898 116.9454 58.6256 28.7007 178.1150 107 A 4.1986 7.7712 120.1742 52.8067 18.4599 178.2833 108 G 3.8469 7.9127 105.3360 45.5167 0.0000 173.4860 109 I 4.2328 7.3350 119.8407 59.8937 38.2394 175.4559 110 S 4.4595 8.4032 118.8588 57.3316 63.2446 173.3971 111 I 4.3248 8.1367 128.3674 60.2058 37.5888 175.9818 112 V 3.6725 8.9087 127.0405 65.4913 31.7423 175.9687 113 E 4.4581 8.1332 121.9433 54.6664 32.4060 174.9232 114 G 4.3717 8.9368 114.7009 45.6252 0.0000 170.0747 115 P 4.8555 0.0000 0.0000 63.2329 31.5044 176.8617 116 V 4.5810 8.6245 123.7292 59.7323 34.6838 174.6185 117 E 4.3603 8.8435 124.6047 56.6644 30.3673 175.6877 118 R 4.8086 9.4170 124.7130 55.0957 35.6203 173.5745 119 T 4.6400 8.5066 116.5385 62.3811 69.7011 175.7367 120 G 3.8864 9.0438 116.3623 43.5598 0.0000 173.2787 121 A 4.1802 8.7110 121.3900 54.9032 18.5511 178.7104 122 T 4.4350 8.3975 111.2750 65.2040 70.4192 174.7586 123 G 4.0726 7.9819 109.9039 45.3058 0.0000 171.1558 124 E 4.7675 8.8533 120.5674 55.7010 31.0007 175.5049 125 I 5.2707 8.7587 118.5773 59.3080 41.2094 174.7486 *127 S 4.6216 8.5895 115.1461 58.2665 64.9256 173.0026 128 I 5.0431 8.2683 119.9859 59.7526 41.2546 174.1398 129 Y 5.3040 8.6706 122.6394 56.3108 41.0996 174.9127 130 I 5.0780 9.1173 116.3750 59.6538 42.0107 173.7477 131 R 5.1869 8.4845 120.3553 54.4073 33.4294 175.7766 132 D 3.3700 8.1763 121.9085 50.6215 41.2186 175.3988 133 P 4.0486 0.0000 0.0000 65.8047 31.1273 177.6378 134 D 4.4223 7.8867 115.4020 54.7400 41.1476 177.0446 135 G 4.0532 7.9553 106.2176 44.7452 0.0000 173.9543 136 N 4.5720 8.4087 118.1397 53.4735 40.0938 173.7675 137 L 4.7302 8.9175 125.1684 54.3796 43.8734 175.1952 138 I 4.9833 9.1967 127.5578 59.5990 40.0019 174.0461 139 E 4.6284 9.4485 129.3559 54.5358 31.4500 174.4370 140 I 4.7994 8.3501 129.0052 60.1694 39.1105 175.4032 141 S 5.0022 9.3982 122.3054 56.8858 67.8951 172.6599 142 Q 4.8095 8.1403 120.7035 54.5103 32.5027 173.8900 143 Y 4.2227 8.6828 123.2578 57.5806 38.8193 176.0417 144 V 3.8052 8.6921 122.8387 63.3058 31.5319 175.7061 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 20 I 8.02 4.12 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 1.41 1.06 0.91 0.00 0.00 21 I 8.26 4.00 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 1.41 0.11 0.90 0.00 0.00 22 D 8.48 4.54 0.00 2.64 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 23 R 7.18 4.38 0.00 1.84 1.86 0.00 2.99 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.53 0.00 24 I 8.20 4.13 1.88 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 1.29 0.56 0.94 0.00 0.00 25 D 8.65 4.45 0.00 2.69 2.53 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 26 H 7.68 5.17 0.00 3.23 3.17 0.00 5.39 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 27 L 8.37 4.67 0.00 1.78 1.80 1.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.34 4.79 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 0.61 0.00 0.00 0.95 0.00 0.00 29 L 8.84 4.78 0.00 1.64 1.59 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.47 4.94 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 1.23 0.00 0.00 31 V 9.07 4.93 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 0.96 0.00 0.00 1.02 0.00 0.00 32 S 9.15 4.45 0.00 3.99 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 7.80 4.61 0.00 2.76 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.90 3.75 1.92 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 1.58 0.61 0.98 0.00 0.00 35 S 8.26 4.19 0.00 3.89 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.76 3.96 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 37 T 8.02 4.12 4.53 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 1.46 0.00 0.00 38 I 8.37 3.88 2.11 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.94 1.00 0.00 0.00 39 R 8.14 3.94 0.00 2.11 2.03 0.00 3.17 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 40 F 8.17 3.98 0.00 3.11 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 41 Y 8.21 3.61 0.00 3.13 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 42 E 8.42 4.62 0.00 2.08 2.01 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 2.65 2.48 0.00 43 E 8.13 3.90 0.00 1.97 1.91 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 2.31 2.28 0.00 44 V 7.45 3.51 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.38 0.00 0.00 45 L 6.99 3.87 0.00 0.68 0.62 0.21 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 46 G 7.85 4.03 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 0.00 0.00 0.00 47 F 8.18 4.99 0.00 3.14 2.97 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 48 S 9.01 5.13 0.00 3.77 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 49 A 8.99 4.92 1.35 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 50 V 8.93 4.64 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 0.82 0.00 0.00 1.04 0.00 0.00 51 T 8.60 5.31 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 1.26 0.00 0.00 52 F 8.89 4.96 0.00 3.10 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 53 K 9.53 3.89 0.00 1.39 1.67 0.00 1.97 0.00 0.00 1.51 0.00 0.00 2.72 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.65 7.81 54 Q 8.56 4.07 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.28 0.00 0.00 0.00 0.00 0.00 2.18 2.30 0.00 55 N 7.55 4.98 0.00 2.80 2.78 0.00 0.00 5.96 7.66 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 56 R 7.69 4.42 0.00 0.67 0.86 0.00 2.28 0.00 0.00 2.54 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.83 0.00 57 K 8.57 5.23 0.00 1.76 1.79 0.00 1.75 0.00 0.00 1.87 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.43 7.81 58 A 8.83 5.19 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 59 L 9.16 5.13 0.00 1.64 1.79 0.80 1.02 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 60 I 8.98 4.67 1.83 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.85 0.76 0.00 0.00 61 F 8.35 4.72 0.00 2.73 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 0.00 0.00 0.00 62 G 9.00 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 0.00 0.00 0.00 63 A 8.49 4.56 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 7.43 4.65 0.00 0.93 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.49 0.00 0.00 0.00 0.00 0.00 2.23 2.11 0.00 65 K 7.77 4.66 0.00 1.84 1.61 0.00 1.01 0.00 0.00 1.37 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.14 1.26 7.81 66 I 8.69 5.07 1.98 0.00 0.00 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 1.42 1.05 0.93 0.00 0.00 67 N 9.28 5.20 0.00 2.70 2.90 0.00 0.00 6.43 7.50 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 68 L 8.89 5.18 0.00 1.59 1.65 1.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 69 H 9.27 5.03 0.00 3.04 3.14 0.00 5.62 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Q 8.61 4.86 0.00 2.06 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.94 0.00 0.00 0.00 0.00 0.00 2.27 2.63 0.00 71 Q 8.50 4.15 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 5.73 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 72 E 8.55 3.76 0.00 2.09 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 2.16 2.20 0.00 *74 E 8.12 3.67 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 2.07 2.27 0.00 75 F 7.66 4.37 0.00 3.02 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 76 E 8.46 4.90 0.00 1.98 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 2.25 2.28 0.00 77 P 0.00 4.53 0.00 2.21 2.09 0.00 3.77 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 78 K 8.07 4.65 0.00 1.89 2.07 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.44 7.81 79 A 8.32 4.27 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 80 S 8.66 4.31 0.00 3.88 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 81 R 7.46 4.60 0.00 1.75 1.83 0.00 3.23 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 82 P 0.00 4.27 0.00 2.04 2.04 0.00 3.65 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 2.17 2.25 0.00 83 T 8.28 4.56 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 1.22 0.00 0.00 84 P 0.00 4.89 0.00 2.04 2.15 0.00 3.80 0.00 0.00 4.32 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 85 G 8.88 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 0.00 0.00 0.00 86 S 7.63 4.51 0.00 4.01 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 87 A 7.64 4.32 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 88 D 8.59 4.99 0.00 2.67 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 89 L 8.90 4.72 0.00 1.45 1.03 1.09 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 90 C 8.26 5.13 0.00 2.98 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 91 F 9.48 4.99 0.00 2.98 2.92 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 92 I 8.52 4.87 2.02 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 1.34 1.03 1.07 0.00 0.00 93 T 8.96 4.85 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 1.32 0.00 0.00 94 S 8.75 4.59 0.00 4.04 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 95 T 7.62 4.12 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 96 P 0.00 4.24 0.00 2.35 2.01 0.00 3.62 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 2.19 2.10 0.00 97 I 8.72 3.65 1.99 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 1.50 1.20 0.91 0.00 0.00 98 N 8.09 4.40 0.00 2.77 2.85 0.00 0.00 7.16 8.08 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 99 D 8.18 4.38 0.00 2.89 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 0.00 100 V 7.56 3.52 2.25 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 1.08 0.00 0.00 0.95 0.00 0.00 101 V 7.75 3.56 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 1.06 0.00 0.00 0.98 0.00 0.00 102 S 7.77 4.10 0.00 3.98 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 0.00 103 E 8.09 3.91 0.00 2.16 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 2.29 2.47 0.00 104 I 7.98 3.64 2.04 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 1.44 0.76 0.90 0.00 0.00 105 L 8.19 3.98 0.00 1.80 1.70 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 8.59 4.01 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 107 A 7.77 4.20 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 G 7.91 3.85 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 0.00 0.00 0.00 109 I 7.34 4.23 2.00 0.00 0.00 1.00 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 0.84 1.00 0.00 0.00 110 S 8.40 4.46 0.00 3.83 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 0.00 111 I 8.14 4.32 1.89 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 1.32 0.69 1.04 0.00 0.00 112 V 8.91 3.67 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 0.66 0.00 0.00 1.00 0.00 0.00 113 E 8.13 4.46 0.00 1.90 1.81 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 2.33 2.30 0.00 114 G 8.94 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 0.00 0.00 0.00 0.00 115 P 0.00 4.86 0.00 1.96 2.04 0.00 3.66 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 116 V 8.62 4.58 2.25 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 0.81 0.00 0.00 0.97 0.00 0.00 117 E 8.84 4.36 0.00 2.01 1.91 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 2.41 2.34 0.00 118 R 9.42 4.81 0.00 1.64 1.78 0.00 3.43 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.99 0.00 119 T 8.51 4.64 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 1.24 0.00 0.00 120 G 9.04 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 0.00 121 A 8.71 4.18 1.37 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 0.00 0.00 122 T 8.40 4.44 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 1.03 0.00 0.00 123 G 7.98 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 0.00 0.00 0.00 124 E 8.85 4.77 0.00 1.95 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 2.42 2.27 0.00 125 I 8.76 5.27 1.63 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.85 0.05 0.00 0.00 *127 S 8.59 4.62 0.00 3.62 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 0.00 128 I 8.27 5.04 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.64 0.93 0.00 0.00 129 Y 8.67 5.30 0.00 2.98 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 0.00 130 I 9.12 5.08 1.96 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 1.42 1.03 0.99 0.00 0.00 131 R 8.48 5.19 0.00 1.61 1.75 0.00 3.17 0.00 0.00 3.39 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 132 D 8.18 3.37 0.00 2.07 2.47 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 0.00 0.00 0.00 0.00 133 P 0.00 4.05 0.00 1.98 2.10 0.00 3.30 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.89 0.00 134 D 7.89 4.42 0.00 2.67 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 0.00 135 G 7.96 4.05 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 0.00 136 N 8.41 4.57 0.00 3.00 2.95 0.00 0.00 6.51 6.04 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 0.00 137 L 8.92 4.73 0.00 1.82 1.72 1.08 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 138 I 9.20 4.98 1.99 0.00 0.00 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 1.24 1.11 1.15 0.00 0.00 139 E 9.45 4.63 0.00 1.66 1.78 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 1.88 1.47 0.00 140 I 8.35 4.80 1.82 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.69 0.89 0.00 0.00 141 S 9.40 5.00 0.00 3.50 3.52 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 0.00 142 Q 8.14 4.81 0.00 2.07 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.10 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 143 Y 8.68 4.22 0.00 3.04 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 0.00 144 V 8.69 3.81 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.