NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 L 4.3925 8.1731 120.5578 54.6495 43.2610 175.4328 22 G 3.6323 8.2439 109.6188 43.3063 0.0000 166.5412 23 V 5.1775 8.8843 120.4630 61.0365 34.9872 172.8475 24 L 5.0412 9.3394 127.1839 53.0676 45.2749 175.7568 25 R 5.2859 8.5315 120.6128 55.0102 34.0356 174.3276 26 Y 4.8265 8.5593 120.6231 57.0380 42.8240 173.2579 27 T 5.0930 7.7785 122.5613 61.5217 71.4916 173.0812 28 L 4.7992 8.9159 125.2242 53.9630 44.6046 175.2661 29 R 5.1702 8.7284 117.5331 54.9397 34.1051 174.9612 30 A 4.9910 8.5498 122.0841 51.6223 23.3762 174.9495 31 R 4.9465 8.9482 113.5096 54.7039 33.6182 175.9647 32 G 3.9845 9.0039 108.2071 46.9197 0.0000 171.5007 33 H 5.0007 8.4564 116.8776 54.3389 32.6260 173.2681 34 P 4.5306 0.0000 0.0000 64.8259 31.3153 176.9429 35 N 4.7438 8.3277 113.0972 52.9737 38.7374 174.9801 36 V 3.8689 7.7890 120.2434 62.8722 32.0908 175.7191 37 T 4.3413 8.4539 115.3360 60.4814 71.1402 173.6095 38 A 3.9368 8.0315 123.3567 53.2658 15.8265 177.1353 39 G 4.0661 7.8934 107.3603 46.0520 0.0000 173.7328 40 H 4.1315 8.3183 121.5616 56.5927 30.1690 175.9666 41 R 4.1742 8.3082 124.8648 57.6685 30.5702 176.7286 42 T 4.8667 7.8595 106.1270 61.2115 70.9353 172.9997 43 T 5.5054 8.1810 111.5910 61.9142 72.5508 172.0251 44 F 5.5355 8.0017 115.2853 55.7129 41.4309 172.8311 45 E 5.2429 9.8959 121.1461 54.7363 33.7372 173.9415 46 V 4.9908 8.6703 123.7408 61.5053 34.9717 174.2060 47 T 5.1961 8.7846 119.9796 60.6527 70.7184 174.7883 48 V 4.0914 8.7912 119.1400 63.5012 32.9320 176.3136 49 D 4.6715 8.1019 121.8013 53.9311 41.1706 176.0554 50 P 4.5899 0.0000 0.0000 63.5113 32.1825 175.9949 51 E 4.8253 7.9709 117.1156 54.2363 32.8634 174.8703 52 I 4.5803 7.6279 113.4968 58.7791 40.6575 175.7060 53 G 3.8610 8.4706 113.5301 45.6950 0.0000 173.7584 54 E 4.2083 8.6321 114.0059 57.4757 29.9472 173.5477 55 T 4.4371 7.7657 104.9292 62.1547 70.0774 175.3268 56 A 4.3766 7.5386 127.8621 51.4958 17.3354 178.1515 57 D 4.8397 8.1517 119.1283 53.4775 40.3879 177.9100 58 C 4.7068 7.8772 114.6370 58.7490 31.8566 173.3506 59 I 4.7445 7.6208 121.5430 61.0094 36.9930 175.8321 60 I 4.4958 9.0774 119.7630 60.6087 39.0508 175.8090 61 G 4.2927 7.8416 109.6950 45.3699 0.0000 172.5603 62 V 5.0490 8.8485 116.8617 58.6865 36.3425 175.2531 63 S 4.0463 8.7547 114.0950 58.3850 60.8746 173.1530 64 S 4.5211 8.0744 113.5107 58.4686 62.7710 173.8012 65 S 4.5412 9.0601 120.5464 59.0535 63.2479 173.7356 66 D 4.7540 7.9956 120.2754 53.2790 44.9432 174.6866 67 S 4.7907 8.4862 116.9990 56.1366 65.1627 175.0677 68 I 3.7493 7.9929 120.6612 63.8732 37.7631 178.1038 69 S 4.4197 7.9419 113.3840 60.2171 62.9413 174.9198 70 T 4.2924 7.3457 108.9745 61.3020 69.0175 174.9821 71 L 3.8122 7.1130 121.4593 53.7789 42.2001 175.1547 72 P 4.1910 0.0000 0.0000 62.7457 31.9416 176.7005 73 D 4.3938 8.7041 122.0694 57.5844 41.2576 178.9432 74 E 4.1500 7.9359 116.8943 56.5800 29.2791 178.2407 *76 K 4.2078 8.1458 118.7409 56.0013 34.1027 178.5459 77 R 3.8080 8.0359 116.7655 59.0567 30.1937 178.0292 78 A 3.5830 7.4239 119.5495 54.9647 18.8157 178.9021 79 I 3.7407 7.6236 116.1315 64.4576 37.6940 176.3643 80 A 5.1299 7.6994 123.3604 49.1900 16.4609 175.9397 81 R 4.5710 7.1806 116.4962 54.4235 32.6067 176.7924 82 E 4.1125 8.5715 119.3676 56.0663 28.3282 177.2258 *84 S 4.5572 7.7151 112.5919 58.3790 65.5131 173.3105 85 L 4.8531 8.8440 121.2730 53.0317 44.4628 175.5513 86 V 4.8801 8.3341 122.7310 61.0400 34.5875 174.1196 87 R 5.0640 9.4549 127.7789 54.4683 33.5583 173.9114 88 V 4.9437 9.0552 125.7103 61.1490 34.8543 173.9428 89 I 4.6795 8.7376 128.5042 59.4987 39.8288 174.3231 90 L 5.0570 8.6364 127.5739 53.1496 44.0388 175.9395 91 R 5.3291 8.7314 121.5651 54.8989 34.7879 174.2440 92 T 4.9774 8.6496 112.5300 59.4307 71.9317 173.5741 93 E 4.0698 9.0681 119.0057 59.0035 29.2520 177.6174 94 N 4.9723 8.5494 113.1806 52.3253 39.8625 174.0289 95 G 4.3048 7.6655 107.2406 44.1605 0.0000 171.2760 96 Y 5.1666 8.3370 118.6810 56.8084 41.7691 172.9025 97 D 4.5294 7.8375 123.5834 53.1971 45.4331 173.3540 98 E 4.9593 8.4993 123.3738 54.3401 32.6942 174.6917 99 I 4.7736 9.0770 127.0897 59.5410 40.9918 174.4850 100 R 4.8938 9.4457 125.6193 54.6918 32.9390 175.4258 101 G 4.2303 9.0021 110.6762 45.5846 0.0000 170.6600 102 Y 5.2754 8.5128 116.6850 56.3870 42.1118 176.0632 103 G 4.1948 8.6854 109.2106 45.6258 0.0000 172.2053 104 H 4.9259 8.2222 115.5945 54.4196 33.0441 173.7211 105 P 4.3911 0.0000 0.0000 65.4869 31.1933 176.7647 106 E 4.4084 8.3562 116.2076 56.0317 29.7644 175.9462 107 L 4.1398 7.7623 120.5673 54.8839 42.2197 176.9119 108 T 4.1535 8.4853 112.5307 61.1974 70.1568 174.3655 109 L 3.7212 7.6815 122.5746 56.2055 38.9710 174.5142 110 D 4.9019 7.5584 112.0611 52.7731 40.7469 175.7498 111 H 4.2260 8.1186 120.7627 55.9169 30.2029 174.2025 112 P 4.5346 0.0000 0.0000 64.4270 31.9319 176.6852 113 T 4.6447 7.7760 106.6011 61.5204 71.7719 173.2591 114 D 5.5524 8.4822 120.3617 52.4561 45.0644 175.4131 115 I 4.7510 8.4846 120.1176 59.8447 41.0776 174.7000 116 V 4.7559 9.0003 127.2930 61.0806 35.1172 173.7907 117 C 4.9010 8.1251 124.3333 57.8726 30.7468 173.2365 118 R 5.0908 8.3610 121.3946 54.4736 33.4099 176.5741 119 K 4.6293 9.0103 120.6350 58.3222 33.7589 177.2962 120 S 5.0027 7.9521 114.9290 57.0427 65.9908 174.6713 121 D 5.0394 8.4277 118.6896 53.3420 39.3894 175.4680 122 Y 4.2039 7.8225 121.0606 57.9477 39.2831 175.1135 123 I 4.3581 7.1826 126.5956 59.4940 40.6341 174.2642 124 C 4.6269 8.0476 118.2279 56.4332 33.0751 174.8800 125 S 4.3705 8.4555 112.5996 59.9769 62.7533 175.6273 126 R 4.3303 7.7372 119.4356 57.5339 31.5678 176.2636 127 T 4.4402 7.7047 116.8126 63.6246 68.4139 174.3038 128 L 4.4098 8.8295 128.9021 55.4398 42.9646 175.8179 *130 I 4.0316 7.4894 111.1390 61.2594 39.5902 175.0613 131 R 4.7110 9.0146 117.7194 55.8600 28.2075 177.1162 132 A 4.4241 8.1381 119.2839 52.3721 18.9978 178.4009 133 D 4.7043 8.3861 119.0047 54.4078 40.2466 176.9702 134 K 4.8166 7.8561 117.6634 54.6865 36.2522 174.8003 135 A 5.0858 9.0045 123.9629 49.8586 22.2808 177.0619 136 A 4.0313 8.9044 120.9994 55.6989 18.3838 179.8671 137 F 4.2186 8.4869 116.9787 61.3488 39.3098 175.6947 138 D 4.4948 7.9372 117.4335 54.2161 41.2458 176.8566 139 L 4.2799 7.4393 119.7106 54.0185 42.4093 176.9986 140 D 4.3374 8.7741 120.7208 54.9667 42.4084 177.8002 141 E 3.9689 8.7739 124.9316 59.6942 29.7861 179.1102 142 N 4.3275 8.3103 116.9701 55.7180 38.6170 177.0255 143 L 3.8866 7.6727 121.8980 58.2593 42.2248 179.1293 144 V 3.5743 7.7595 118.1427 66.0155 31.3204 178.1241 145 R 3.8981 8.1469 117.8207 59.4506 29.9614 178.7968 146 D 4.4602 7.9848 118.2175 57.3432 40.7161 178.8565 147 L 4.0207 8.0919 119.5534 57.8479 41.1955 179.6815 148 R 4.1928 8.3861 117.6183 58.1486 29.7216 178.0069 149 K 4.4928 7.3388 115.5066 55.4696 32.2964 177.0323 150 G 3.9052 7.9934 107.2604 46.2509 0.0000 174.4226 151 R 4.2783 7.6713 118.6687 55.2870 31.4324 176.1114 152 E 4.5003 8.6915 120.2471 56.7058 30.5559 176.2888 153 L 4.9040 9.2086 124.5941 53.2514 45.5903 175.0242 154 K 4.8256 9.1462 126.0160 54.6719 34.5723 175.2577 155 V 4.6014 8.7641 125.6593 61.1354 33.9009 173.5830 156 E 5.1070 8.9787 129.5364 54.5035 32.1877 174.3418 157 I 4.9445 9.0835 127.6934 59.6308 40.1165 174.5019 158 I 5.0292 9.1695 127.8190 59.4343 40.4251 174.5980 159 V 4.8969 8.9096 126.8830 61.0019 34.4557 173.5338 160 E 5.2873 9.0452 129.0671 54.6502 32.0852 174.1821 161 Y 5.1954 8.3351 123.6013 55.7990 42.3480 173.5593 162 E 4.5736 8.8164 119.7473 55.0370 30.7232 177.0598 163 G 3.7845 8.7849 113.0882 48.3963 0.0000 173.2829 164 H 5.0070 7.9142 116.6927 54.1527 30.2730 174.6657 165 H 4.4972 8.7103 118.6628 55.9386 28.3649 173.0640 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 21 L 8.17 4.39 0.00 1.45 1.52 0.89 0.55 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 22 G 8.24 3.63 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 0.00 0.00 0.00 23 V 8.88 5.18 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 0.89 0.00 0.00 0.89 0.00 0.00 24 L 9.34 5.04 0.00 1.68 1.55 0.83 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.53 5.29 0.00 1.70 1.84 0.00 3.28 0.00 0.00 3.36 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 26 Y 8.56 4.83 0.00 3.06 2.78 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 27 T 7.78 5.09 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 1.15 0.00 0.00 28 L 8.92 4.80 0.00 1.71 1.88 0.96 0.74 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 29 R 8.73 5.17 0.00 1.72 1.81 0.00 3.13 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 30 A 8.55 4.99 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 31 R 8.95 4.95 0.00 1.83 1.98 0.00 2.78 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 32 G 9.00 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.46 5.00 0.00 3.19 3.09 0.00 5.69 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.53 0.00 2.04 2.09 0.00 3.21 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.01 0.00 35 N 8.33 4.74 0.00 2.74 2.98 0.00 0.00 6.87 7.68 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 36 V 7.79 3.87 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 0.84 0.00 0.00 1.04 0.00 0.00 37 T 8.45 4.34 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 1.29 0.00 0.00 38 A 8.03 3.94 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 39 G 7.89 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 40 H 8.32 4.13 0.00 3.36 3.46 0.00 5.77 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.31 4.17 0.00 1.65 1.72 0.00 2.98 0.00 0.00 2.95 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 1.46 0.00 42 T 7.86 4.87 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 1.19 0.00 0.00 43 T 8.18 5.51 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 1.18 0.00 0.00 44 F 8.00 5.54 0.00 3.05 3.26 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 0.00 45 E 9.90 5.24 0.00 1.92 1.77 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 2.20 2.37 0.00 46 V 8.67 4.99 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 0.93 0.00 0.00 1.03 0.00 0.00 47 T 8.78 5.20 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 1.35 0.00 0.00 48 V 8.79 4.09 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 0.87 0.00 0.00 0.99 0.00 0.00 49 D 8.10 4.67 0.00 2.64 2.60 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 50 P 0.00 4.59 0.00 2.20 2.19 0.00 3.32 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 51 E 7.97 4.83 0.00 1.93 1.86 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 2.22 2.22 0.00 52 I 7.63 4.58 1.82 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 0.97 0.48 0.87 0.00 0.00 53 G 8.47 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 0.00 0.00 0.00 54 E 8.63 4.21 0.00 2.00 1.87 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 2.22 1.86 0.00 55 T 7.77 4.44 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 56 A 7.54 4.38 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 57 D 8.15 4.84 0.00 2.90 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 58 C 7.88 4.71 0.00 2.94 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 59 I 7.62 4.74 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 1.30 0.55 0.99 0.00 0.00 60 I 9.08 4.50 1.85 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.71 0.93 0.00 0.00 61 G 7.84 4.29 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 V 8.85 5.05 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 0.73 0.00 0.00 1.08 0.00 0.00 63 S 8.75 4.05 0.00 3.99 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 64 S 8.07 4.52 0.00 3.90 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 65 S 9.06 4.54 0.00 3.99 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 66 D 8.00 4.75 0.00 2.78 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 67 S 8.49 4.79 0.00 4.02 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 68 I 7.99 3.75 2.00 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 1.33 1.30 1.03 0.00 0.00 69 S 7.94 4.42 0.00 4.02 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 70 T 7.35 4.29 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 1.21 0.00 0.00 71 L 7.11 3.81 0.00 1.54 1.35 0.89 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.19 0.00 1.83 1.85 0.00 3.01 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 73 D 8.70 4.39 0.00 2.65 2.67 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 74 E 7.94 4.15 0.00 1.95 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 2.32 2.31 0.00 *76 K 8.15 4.21 0.00 1.93 1.81 0.00 1.66 0.00 0.00 1.90 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.58 7.81 77 R 8.04 3.81 0.00 1.82 1.88 0.00 3.14 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 78 A 7.42 3.58 0.20 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 79 I 7.62 3.74 1.80 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 1.31 0.74 0.93 0.00 0.00 80 A 7.70 5.13 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 81 R 7.18 4.57 0.00 1.90 1.77 0.00 3.11 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 82 E 8.57 4.11 0.00 1.98 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 2.31 2.33 0.00 *84 S 7.72 4.56 0.00 4.02 4.18 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 85 L 8.84 4.85 0.00 1.59 1.51 0.95 0.77 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 86 V 8.33 4.88 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 0.95 0.00 0.00 0.94 0.00 0.00 87 R 9.45 5.06 0.00 1.81 1.70 0.00 3.19 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.69 0.00 88 V 9.06 4.94 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 1.00 0.00 0.00 1.02 0.00 0.00 89 I 8.74 4.68 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 1.16 0.68 0.72 0.00 0.00 90 L 8.64 5.06 0.00 1.29 1.40 0.45 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.73 5.33 0.00 1.73 1.79 0.00 3.12 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.57 0.00 92 T 8.65 4.98 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 1.25 0.00 0.00 93 E 9.07 4.07 0.00 2.09 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 0.00 2.28 2.35 0.00 94 N 8.55 4.97 0.00 2.83 2.82 0.00 0.00 6.76 7.51 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 95 G 7.67 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 0.00 0.00 0.00 0.00 96 Y 8.34 5.17 0.00 2.92 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 97 D 7.84 4.53 0.00 2.57 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 0.00 0.00 0.00 0.00 98 E 8.50 4.96 0.00 1.85 1.74 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 2.15 2.26 0.00 99 I 9.08 4.77 2.02 0.00 0.00 0.61 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 0.36 1.18 0.00 0.00 100 R 9.45 4.89 0.00 1.79 1.68 0.00 3.09 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 101 G 9.00 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 0.00 0.00 0.00 0.00 102 Y 8.51 5.28 0.00 2.87 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 0.00 103 G 8.69 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 0.00 104 H 8.22 4.93 0.00 3.27 3.06 0.00 5.60 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 P 0.00 4.39 0.00 2.21 2.33 0.00 3.24 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.98 0.00 106 E 8.36 4.41 0.00 1.96 1.97 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 2.27 2.38 0.00 107 L 7.76 4.14 0.00 1.62 1.58 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 108 T 8.49 4.15 4.29 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 0.00 0.00 0.00 1.18 0.00 0.00 109 L 7.68 3.72 0.00 1.80 1.65 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 110 D 7.56 4.90 0.00 2.70 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 0.00 111 H 8.12 4.23 0.00 3.30 3.23 0.00 5.77 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.53 0.00 2.16 2.09 0.00 3.17 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.83 0.00 113 T 7.78 4.64 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 1.21 0.00 0.00 114 D 8.48 5.55 0.00 2.49 2.64 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 0.00 115 I 8.48 4.75 1.89 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 1.18 1.00 0.91 0.00 0.00 116 V 9.00 4.76 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 0.95 0.00 0.00 0.90 0.00 0.00 117 C 8.13 4.90 0.00 1.23 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 0.00 118 R 8.36 5.09 0.00 1.74 1.81 0.00 3.35 0.00 0.00 3.53 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 119 K 9.01 4.63 0.00 1.75 1.90 0.00 1.75 0.00 0.00 1.90 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.69 1.58 7.81 120 S 7.95 5.00 0.00 3.95 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 0.00 121 D 8.43 5.04 0.00 2.79 2.78 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 0.00 122 Y 7.82 4.20 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 0.00 123 I 7.18 4.36 1.60 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.78 0.75 0.00 0.00 124 C 8.05 4.63 0.00 2.98 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 0.00 125 S 8.46 4.37 0.00 4.19 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 0.00 126 R 7.74 4.33 0.00 1.73 1.92 0.00 3.04 0.00 0.00 3.12 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.51 0.00 127 T 7.70 4.44 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 1.17 0.00 0.00 128 L 8.83 4.41 0.00 1.57 1.71 0.91 0.98 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 *130 I 7.49 4.03 2.07 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 1.57 0.78 0.95 0.00 0.00 131 R 9.01 4.71 0.00 2.23 2.23 0.00 3.06 0.00 0.00 3.04 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 132 A 8.14 4.42 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 0.00 133 D 8.39 4.70 0.00 2.88 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 0.00 134 K 7.86 4.82 0.00 1.77 1.73 0.00 1.81 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.37 1.45 7.81 135 A 9.00 5.09 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.90 4.03 1.54 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 0.00 0.00 137 F 8.49 4.22 0.00 3.15 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 0.00 138 D 7.94 4.49 0.00 2.86 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 0.00 139 L 7.44 4.28 0.00 1.61 1.47 0.64 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 140 D 8.77 4.34 0.00 2.84 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 0.00 141 E 8.77 3.97 0.00 2.20 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 0.00 2.33 2.38 0.00 142 N 8.31 4.33 0.00 3.10 3.12 0.00 0.00 6.79 6.74 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 0.00 143 L 7.67 3.89 0.00 1.68 1.77 0.86 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 144 V 7.76 3.57 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 1.04 0.00 0.00 0.95 0.00 0.00 145 R 8.15 3.90 0.00 2.05 1.95 0.00 3.17 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 146 D 7.98 4.46 0.00 2.86 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 0.00 147 L 8.09 4.02 0.00 1.83 1.72 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 148 R 8.39 4.19 0.00 1.99 1.98 0.00 3.11 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.81 0.00 149 K 7.34 4.49 0.00 1.92 1.82 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.65 7.81 150 G 7.99 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 0.00 151 R 7.67 4.28 0.00 1.93 1.86 0.00 3.25 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 152 E 8.69 4.50 0.00 1.83 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 2.31 2.37 0.00 153 L 9.21 4.90 0.00 1.66 1.59 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 154 K 9.15 4.83 0.00 1.65 1.67 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.49 7.81 155 V 8.76 4.60 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 1.06 0.00 0.00 0.94 0.00 0.00 156 E 8.98 5.11 0.00 2.06 1.76 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 2.23 2.26 0.00 157 I 9.08 4.94 2.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.92 0.96 0.00 0.00 158 I 9.17 5.03 1.90 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 1.15 0.88 0.95 0.00 0.00 159 V 8.91 4.90 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 1.09 0.00 0.00 0.94 0.00 0.00 160 E 9.05 5.29 0.00 2.10 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 2.18 2.30 0.00 161 Y 8.34 5.20 0.00 3.12 2.99 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 0.00 162 E 8.82 4.57 0.00 2.03 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 2.29 2.26 0.00 163 G 8.78 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 0.00 0.00 0.00 164 H 7.91 5.01 0.00 3.20 3.25 0.00 5.68 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 H 8.71 4.50 0.00 3.24 3.21 0.00 5.56 0.00 0.00 0.00 0.00 6.91 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.