NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.1415 7.9127 120.6592 62.8194 33.5734 173.8341 3 R 4.8457 8.4849 124.6161 54.1790 32.4695 169.5662 4 V 4.5151 8.6090 117.8923 60.3863 37.0263 175.6856 5 G 3.8081 8.3348 107.0930 44.8294 0.0000 172.6263 *7 R 3.8388 8.2391 118.6006 57.2674 30.9353 176.0331 8 A 2.5800 8.1314 125.3259 52.3693 17.0254 177.8385 9 A 4.4284 6.5503 121.8203 50.0341 18.9202 175.8072 10 P 4.1547 0.0000 0.0000 64.6367 31.8135 178.1797 11 R 3.9577 7.8318 115.8334 59.3986 30.1697 179.2288 12 V 3.6030 7.6882 117.4785 66.1890 31.4934 178.1053 13 S 4.1599 8.1398 114.9402 61.3224 62.5637 176.3961 14 L 4.1382 8.3036 123.2756 58.1884 41.8979 178.6669 15 E 3.9368 8.3559 119.1560 59.2273 29.5698 178.6695 16 A 4.0392 8.2454 120.9535 54.8854 18.3206 179.4160 17 L 3.9243 8.2752 119.0878 58.2925 42.1948 179.2321 18 K 3.9093 8.2936 118.3220 59.5472 31.7601 179.1681 19 A 3.9776 7.9260 119.6867 55.1222 18.3809 179.2793 20 A 4.0956 7.8685 118.4375 54.9584 18.7951 179.3935 21 L 4.0328 8.4907 119.5442 57.4949 42.4632 177.3833 22 G 3.7076 8.4526 107.8046 47.2335 0.0000 174.1825 23 G 3.9783 8.6219 114.1303 44.8662 0.0000 172.8203 24 L 3.9377 7.5356 121.7681 55.1264 42.4142 176.9222 25 K 4.5394 8.4354 124.9176 55.9825 33.1954 176.5610 26 L 4.7654 8.8016 122.5178 54.3407 42.4978 178.7592 27 S 4.6884 8.3248 115.6966 60.5149 62.5424 174.9063 28 E 4.3877 7.9680 116.4717 55.7457 29.6239 175.5432 29 A 4.5007 7.7377 121.6219 51.6163 19.8734 177.5032 30 K 4.5595 9.2309 118.4469 54.6313 35.5281 175.6916 31 V 4.3310 8.3770 126.0261 61.4779 33.3134 173.9133 32 Y 5.1387 8.9686 126.4905 56.3936 40.2666 174.6745 33 L 5.0410 9.1861 125.6530 53.4794 43.8789 175.6375 34 I 4.9169 8.8712 125.4923 60.0962 39.0922 174.8228 35 T 5.2767 9.4135 121.6610 59.0941 71.2059 171.9470 36 D 5.3670 8.2806 123.4500 51.4008 41.7475 176.2508 37 W 4.6487 8.7922 131.4252 57.5683 30.6804 175.1547 38 Q 4.6058 8.6310 125.1598 53.5312 31.9957 175.6151 39 D 4.5155 8.7080 118.1750 56.6464 41.7801 176.2075 40 K 4.8017 8.9058 117.0134 54.2202 36.0828 177.4261 41 R 4.1894 8.5097 119.4205 58.5564 30.1561 178.0250 42 D 4.7179 8.0444 116.0544 54.0959 39.9357 176.3886 43 Q 4.6121 7.7811 116.0325 55.7409 29.9039 175.8082 44 A 4.3916 7.7586 122.0350 52.0746 19.7173 176.9485 45 R 5.0661 8.4222 115.7011 54.6362 33.4826 174.1115 46 Y 5.3278 9.4711 117.0612 56.5716 42.5730 174.4321 47 A 5.6177 9.3607 124.7213 49.4929 22.9254 174.9678 48 L 5.1616 9.0869 120.7884 53.2189 45.4447 174.9526 49 L 5.1065 9.3008 128.6593 53.4088 44.6813 174.7512 50 L 4.7024 9.1991 130.6502 54.0079 43.7821 174.7964 51 H 5.9564 9.3856 128.3826 54.3014 30.3476 175.1629 52 T 4.1895 8.4931 117.6638 62.5855 69.2669 175.8690 53 G 4.0130 8.0260 108.7925 45.2340 0.0000 174.2027 54 K 4.5338 7.4094 116.1186 55.4814 34.4192 176.0606 55 K 4.3183 7.1133 115.2551 56.1455 34.6518 173.2957 56 D 5.6556 8.1005 119.3967 52.7230 45.0347 174.5891 57 L 5.2454 8.7870 121.5903 53.4945 46.2846 174.5300 58 L 5.3388 9.1367 127.1718 53.2425 45.3474 175.0301 59 V 5.3541 9.1472 125.8147 59.4790 34.6695 173.8713 60 P 4.8296 0.0000 0.0000 62.3420 33.5961 175.3175 61 D 5.1644 8.8010 118.2086 53.6948 37.9008 176.0565 62 A 4.1171 8.3283 125.3454 51.5045 21.3478 174.7833 63 F 5.0161 8.4827 113.8866 55.7528 43.1917 175.1588 64 G 4.5768 9.3250 106.5286 44.2067 0.0000 173.1080 65 P 4.3925 0.0000 0.0000 64.5261 31.2312 177.5410 66 A 3.8697 7.5523 121.5255 53.9146 18.5065 177.4275 67 F 5.1604 7.6437 114.4902 54.5147 42.0016 173.0681 68 P 4.4756 0.0000 0.0000 64.1002 31.6917 177.1130 69 G 4.0248 9.1362 109.8670 46.1302 0.0000 175.4128 70 G 3.8545 8.3875 107.6187 47.4979 0.0000 175.8015 71 E 4.0409 8.2298 121.2210 59.2460 29.7473 178.3783 72 E 3.9541 8.2441 118.7103 59.2742 29.7575 178.4525 73 A 4.0758 8.2171 120.9303 54.9231 18.3897 179.4426 74 L 3.7224 8.2815 119.1582 58.3044 42.1638 179.1391 75 S 4.0540 8.0442 113.1089 61.4995 62.3441 176.0323 76 E 3.9724 8.4685 121.4634 58.9542 29.1621 179.1324 77 L 3.7949 7.8995 120.7702 58.0815 42.0927 179.1814 78 V 3.7016 7.8580 118.4335 65.7439 31.3440 178.0906 79 G 3.6118 8.1749 105.5945 47.8050 0.0000 175.2109 80 L 3.9673 8.3084 123.6652 57.8899 42.0547 179.1452 81 L 4.0267 8.0627 118.7694 57.7691 41.5187 179.5048 82 L 4.2597 8.3466 118.9393 57.7839 41.3357 179.3817 83 A 4.0412 8.2803 120.2589 54.7977 18.5628 178.6994 84 Q 4.3438 7.7509 114.9120 55.9788 29.0737 177.2311 85 G 3.9402 8.2099 109.4170 44.8181 0.0000 173.7135 86 A 4.4908 7.8146 122.7399 52.2503 18.8872 178.0381 87 R 4.5310 8.2683 117.7958 56.4138 33.2210 175.7276 88 R 4.3567 7.6367 117.2395 54.8297 31.4660 175.6453 89 F 5.1717 8.4971 122.5677 55.9067 42.5269 174.2592 90 Y 5.3218 9.0656 118.3445 56.5553 43.1026 173.6435 91 E 5.4636 9.6575 121.4175 54.5788 33.3739 174.0330 92 A 5.1564 9.3355 128.3068 50.1196 22.0204 174.8789 93 V 4.8531 8.5101 122.0853 61.3016 33.5356 175.1325 94 V 4.8137 8.7755 120.4169 59.0620 36.3469 175.3900 95 S 4.7384 8.5869 116.3102 57.6069 63.8261 173.4090 96 P 4.2223 0.0000 0.0000 65.9905 31.0654 177.9992 97 G 3.7934 8.0645 103.4007 46.8177 0.0000 173.4607 98 E 4.5590 7.9300 120.1879 54.9542 29.5965 176.2946 *100 T 4.2135 7.7175 118.2661 63.4646 71.1939 176.7117 101 A 4.0488 7.9647 122.4767 54.9605 18.3743 179.2116 102 L 3.8927 8.1812 119.0071 58.4356 42.0510 179.2739 103 L 4.1579 7.3808 115.9857 56.9489 41.6127 178.1558 104 D 4.6428 7.4722 117.0823 53.6388 41.5450 176.8033 105 L 4.1530 6.9779 119.9835 53.7399 42.4189 175.8782 106 P 4.3377 0.0000 0.0000 62.3205 33.1692 175.6774 107 P 4.1809 0.0000 0.0000 66.0791 31.3957 178.5703 108 E 3.9527 8.1674 116.4632 59.5751 29.3863 179.3147 109 E 3.9173 8.0519 118.0017 59.1220 29.5553 178.8308 110 L 3.8719 8.1203 120.6816 58.1251 41.9431 178.7386 111 L 3.7234 7.5612 118.6516 57.9549 42.0652 178.5263 112 K 3.9607 7.6280 118.2036 59.3486 32.3155 178.3715 113 R 4.0304 8.1991 119.3158 59.3790 29.9939 179.9479 114 V 3.7178 7.7663 115.4223 63.4021 31.0832 177.2615 *116 A 4.2246 7.9592 121.6439 51.0755 20.0940 178.2928 117 I 4.3838 7.3482 105.9418 61.0189 38.6533 176.6398 118 A 4.6948 8.0427 125.3748 52.1640 19.1689 176.6217 119 N 5.2506 8.9825 117.4889 50.5541 42.1666 172.6727 120 P 4.4921 0.0000 0.0000 63.1847 32.0735 175.6447 121 T 4.6630 8.3957 117.4784 60.1928 71.1743 172.7991 122 D 4.4981 8.4931 126.6829 52.6943 41.7953 175.2839 123 P 4.2388 0.0000 0.0000 65.7903 30.8458 178.4594 124 G 3.5835 8.5218 105.9534 47.2779 0.0000 175.5013 125 I 3.6410 7.2414 114.2956 63.3476 37.5439 176.9176 126 Y 4.3861 7.0928 116.4036 58.2053 38.1076 175.3684 127 L 4.2528 7.4820 125.4475 54.8006 41.9155 176.2665 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 2 V 7.91 4.14 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 1.01 0.00 0.00 0.94 0.00 0.00 3 R 8.48 4.85 0.00 1.84 1.75 0.00 3.24 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.88 0.00 4 V 8.61 4.52 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 0.96 0.00 0.00 0.97 0.00 0.00 5 G 8.33 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 *7 R 8.24 3.84 0.00 1.82 1.77 0.00 3.32 0.00 0.00 3.37 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.98 0.00 8 A 8.13 2.58 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 A 6.55 4.43 1.07 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 10 P 0.00 4.15 0.00 2.21 2.22 0.00 3.77 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 2.35 2.16 0.00 11 R 7.83 3.96 0.00 1.85 1.99 0.00 3.15 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.72 0.00 12 V 7.69 3.60 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 1.05 0.00 0.00 0.91 0.00 0.00 13 S 8.14 4.16 0.00 3.67 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.30 4.14 0.00 2.12 1.95 0.92 0.79 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 15 E 8.36 3.94 0.00 2.12 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 0.00 2.32 2.34 0.00 16 A 8.25 4.04 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.28 3.92 0.00 1.86 1.91 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.29 3.91 0.00 2.03 1.86 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.70 7.81 19 A 7.93 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.87 4.10 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 21 L 8.49 4.03 0.00 1.84 1.72 0.91 1.10 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 22 G 8.45 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.62 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 24 L 7.54 3.94 0.00 1.69 1.68 0.91 0.61 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 25 K 8.44 4.54 0.00 1.77 1.70 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.45 7.81 26 L 8.80 4.77 0.00 1.66 1.54 0.88 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.32 4.69 0.00 3.96 4.02 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 28 E 7.97 4.39 0.00 1.93 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 2.23 2.34 0.00 29 A 7.74 4.50 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 30 K 9.23 4.56 0.00 1.67 1.26 0.00 1.69 0.00 0.00 1.39 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.39 7.81 31 V 8.38 4.33 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.36 0.00 0.00 32 Y 8.97 5.14 0.00 3.13 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 33 L 9.19 5.04 0.00 1.61 1.61 -0.32 0.28 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 34 I 8.87 4.92 1.99 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 1.21 0.88 0.98 0.00 0.00 35 T 9.41 5.28 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 1.30 0.00 0.00 36 D 8.28 5.37 0.00 2.73 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 37 W 8.79 4.65 0.00 3.29 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 38 Q 8.63 4.61 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 39 D 8.71 4.52 0.00 2.56 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.91 4.80 0.00 1.92 1.71 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.38 7.81 41 R 8.51 4.19 0.00 1.89 2.07 0.00 3.46 0.00 0.00 3.55 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.60 0.00 42 D 8.04 4.72 0.00 2.77 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 43 Q 7.78 4.61 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.93 0.00 0.00 0.00 0.00 0.00 2.41 2.22 0.00 44 A 7.76 4.39 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.42 5.07 0.00 1.97 1.65 0.00 2.76 0.00 0.00 3.48 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.55 0.00 46 Y 9.47 5.33 0.00 3.04 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 47 A 9.36 5.62 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 48 L 9.09 5.16 0.00 1.78 1.64 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 49 L 9.30 5.11 0.00 1.80 1.64 1.01 0.07 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 50 L 9.20 4.70 0.00 1.78 1.56 0.87 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 51 H 9.39 5.96 0.00 3.45 3.53 0.00 5.87 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.49 4.19 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 1.21 0.00 0.00 53 G 8.03 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 54 K 7.41 4.53 0.00 1.70 1.79 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.30 7.81 55 K 7.11 4.32 0.00 1.86 1.83 0.00 1.44 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.27 1.33 7.81 56 D 8.10 5.66 0.00 2.60 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 57 L 8.79 5.25 0.00 1.69 1.45 0.94 0.37 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 58 L 9.14 5.34 0.00 1.77 1.47 1.02 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 59 V 9.15 5.35 2.35 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 1.44 0.00 0.00 1.06 0.00 0.00 60 P 0.00 4.83 0.00 2.12 2.21 0.00 3.89 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 1.99 1.93 0.00 61 D 8.80 5.16 0.00 2.93 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 62 A 8.33 4.12 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.48 5.02 0.00 3.22 3.05 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 64 G 9.33 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.39 0.00 2.42 2.26 0.00 4.17 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.28 0.00 66 A 7.55 3.87 0.63 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 67 F 7.64 5.16 0.00 3.13 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 68 P 0.00 4.48 0.00 2.22 2.12 0.00 4.04 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 69 G 9.14 4.02 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 0.00 0.00 0.00 70 G 8.39 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 71 E 8.23 4.04 0.00 2.12 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 2.42 2.43 0.00 72 E 8.24 3.95 0.00 2.11 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 2.40 0.00 73 A 8.22 4.08 1.66 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 0.00 0.00 74 L 8.28 3.72 0.00 1.97 1.95 0.43 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 75 S 8.04 4.05 0.00 3.96 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 76 E 8.47 3.97 0.00 2.06 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 2.33 2.49 0.00 77 L 7.90 3.79 0.00 1.35 1.54 0.70 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 78 V 7.86 3.70 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 0.78 0.00 0.00 0.76 0.00 0.00 79 G 8.17 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.31 3.97 0.00 1.78 1.89 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.06 4.03 0.00 2.02 1.71 0.92 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.35 4.26 0.00 1.89 1.75 0.84 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.28 4.04 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 84 Q 7.75 4.34 0.00 2.15 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.32 0.00 0.00 0.00 0.00 0.00 2.61 2.51 0.00 85 G 8.21 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 86 A 7.81 4.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 R 8.27 4.53 0.00 1.74 1.94 0.00 3.41 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.56 0.00 88 R 7.64 4.36 0.00 1.89 1.80 0.00 3.16 0.00 0.00 3.36 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 89 F 8.50 5.17 0.00 3.02 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 Y 9.07 5.32 0.00 2.79 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 91 E 9.66 5.46 0.00 2.29 1.93 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 2.38 2.68 0.00 92 A 9.34 5.16 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 93 V 8.51 4.85 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 0.87 0.00 0.00 0.97 0.00 0.00 94 V 8.78 4.81 2.12 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 0.80 0.00 0.00 1.02 0.00 0.00 95 S 8.59 4.74 0.00 4.07 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 96 P 0.00 4.22 0.00 2.03 2.14 0.00 3.68 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.09 0.00 97 G 8.06 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 98 E 7.93 4.56 0.00 2.02 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 2.24 2.40 0.00 *100 T 7.72 4.21 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 1.27 0.00 0.00 101 A 7.96 4.05 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 0.00 102 L 8.18 3.89 0.00 1.84 1.69 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 103 L 7.38 4.16 0.00 1.92 1.74 0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 104 D 7.47 4.64 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 0.00 105 L 6.98 4.15 0.00 1.72 1.59 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 106 P 0.00 4.34 0.00 2.14 1.97 0.00 3.78 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.18 0.00 107 P 0.00 4.18 0.00 2.14 2.12 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.22 0.00 108 E 8.17 3.95 0.00 1.99 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 2.39 2.40 0.00 109 E 8.05 3.92 0.00 2.14 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 2.38 2.35 0.00 110 L 8.12 3.87 0.00 1.71 1.80 0.98 0.73 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 0.00 111 L 7.56 3.72 0.00 1.59 1.75 0.63 0.52 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 0.00 112 K 7.63 3.96 0.00 1.83 1.92 0.00 1.83 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.40 7.81 113 R 8.20 4.03 0.00 1.97 2.10 0.00 3.18 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 114 V 7.77 3.72 1.73 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 0.62 0.00 0.00 0.93 0.00 0.00 *116 A 7.96 4.22 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 0.00 117 I 7.35 4.38 1.88 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 1.37 0.74 0.90 0.00 0.00 118 A 8.04 4.69 1.53 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 0.00 0.00 119 N 8.98 5.25 0.00 2.75 2.76 0.00 0.00 7.06 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 0.00 120 P 0.00 4.49 0.00 1.90 1.80 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.29 0.00 121 T 8.40 4.66 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 1.51 0.00 0.00 122 D 8.49 4.50 0.00 2.67 2.40 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 0.00 123 P 0.00 4.24 0.00 1.62 0.49 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 1.81 1.66 0.00 124 G 8.52 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.24 3.64 1.53 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 -0.36 0.74 0.00 0.00 126 Y 7.09 4.39 0.00 2.96 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 0.00 127 L 7.48 4.25 0.00 1.61 1.53 0.85 0.76 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 * Residues marked with a * may have inaccurate shift predictions.