NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2777 8.4293 120.1748 56.0436 31.4847 176.3434 3 R 4.1898 7.3203 116.8671 54.4509 28.8501 174.3274 4 Y 4.4948 7.7519 129.8997 57.6759 37.7170 177.2202 5 R 4.2888 7.5402 115.3799 57.2816 31.5388 178.5554 6 R 4.0657 8.2427 119.7384 59.4899 30.4293 178.7853 7 G 3.9780 7.9676 107.3980 44.9552 0.0000 175.3771 *9 E 4.2135 8.3296 119.4802 56.2325 30.2803 178.6888 10 I 3.7174 7.4336 117.9450 64.4380 37.6370 178.5878 11 L 3.7768 8.3280 121.7127 57.4147 41.3266 178.7068 12 N 4.5131 7.1083 114.9713 56.0090 38.9007 177.9955 13 R 4.0558 7.2461 113.7484 56.6639 30.2687 177.2153 *15 N 4.4978 8.0106 119.4137 54.3515 39.6402 175.6808 16 R 4.4477 7.5855 125.3872 60.6572 30.2152 179.6312 17 K 4.1548 8.0440 118.6778 59.4985 31.8687 178.5257 18 S 4.5292 7.2402 109.5211 58.9425 62.1660 173.5107 19 Y 4.6003 7.5378 121.5257 58.4036 41.1711 177.6734 20 T 3.7011 8.2905 116.6233 66.2648 68.2336 176.5661 21 A 4.0925 7.7066 121.4440 54.0428 18.2034 178.5639 22 I 4.1390 6.9746 110.6247 61.2863 37.8729 176.9644 23 R 4.2314 7.4287 119.3166 56.8931 29.6958 176.1795 24 D 5.1474 7.4691 119.9178 54.5647 42.1760 177.6347 25 E 4.7783 7.7013 112.1649 56.3129 35.2682 179.3883 26 L 3.7731 7.7434 121.8167 59.0471 42.1805 178.0001 27 E 4.4088 7.9446 111.5921 56.0775 30.4636 178.8461 28 D 4.5877 8.0241 117.5349 56.2515 40.3171 176.1200 29 V 4.4400 6.8070 117.3968 58.7971 34.2394 173.8662 30 A 3.9016 8.6510 122.0709 53.0531 18.2359 176.5411 31 P 4.6030 0.0000 0.0000 63.5379 31.6065 177.6323 32 D 4.0591 7.4546 119.1029 57.7897 40.5224 178.6204 33 L 4.1817 7.8685 118.3781 58.2411 42.3193 178.5209 34 A 4.2860 7.9641 122.5583 55.7169 18.4045 179.9227 35 R 3.9418 8.7597 120.4440 62.0592 29.3515 180.7027 36 F 4.7694 8.8359 119.6679 60.3309 38.8104 177.8517 37 V 3.7274 8.2401 118.2328 66.3311 31.2330 177.9954 38 A 3.9940 7.9698 119.7856 54.7579 18.2027 178.9075 39 E 3.6333 8.6575 118.2829 59.1055 29.9046 178.2728 40 F 4.4173 8.4609 119.4764 60.6225 40.1684 176.8226 41 A 3.9317 8.1398 120.6423 54.8893 17.8111 178.2137 42 Y 4.1117 7.9918 112.2828 58.4383 39.0858 178.1910 43 G 3.7229 7.7245 108.8709 46.8589 0.0000 175.0077 44 D 4.8879 7.6279 117.0136 53.4523 41.4915 176.2253 45 V 4.1016 7.1950 117.3427 64.5694 33.5892 177.1187 46 Y 3.7647 8.0131 117.8884 60.8689 38.0325 178.2865 47 S 4.2251 8.0720 113.3924 61.2961 63.7689 175.6206 48 R 4.2028 7.3506 121.9173 55.5213 28.1641 176.4713 49 G 3.8202 7.5043 107.1772 45.9206 0.0000 173.7305 50 V 4.3195 7.8629 117.6736 63.4128 33.5503 173.0053 51 L 4.5995 7.6376 119.8863 53.3769 45.5351 176.3726 52 D 4.4982 8.6555 121.8430 53.1943 40.6934 174.3970 53 L 3.9989 8.7655 122.9235 58.5924 42.1264 179.8267 54 K 4.0291 8.1248 117.3537 59.4797 31.8558 179.4037 55 T 3.9565 8.0769 116.6203 66.7616 68.5661 177.0397 56 R 3.7948 7.8783 119.3461 59.4140 29.8287 178.8371 57 E 4.1958 8.1383 117.8154 59.0336 29.4135 179.3701 58 L 4.0435 7.4534 118.2227 57.7143 41.6164 179.1491 59 L 3.9417 8.2459 117.9974 58.2622 41.7808 179.5427 60 T 4.0496 7.8071 115.6059 66.4096 68.3897 176.9816 61 L 4.0794 7.6986 120.9976 57.3037 41.3377 178.0941 62 A 4.2284 7.8455 118.8283 52.3549 19.4448 177.9337 63 A 4.4373 7.9966 123.8854 54.9280 21.8915 179.2206 64 L 4.3185 8.0110 114.3965 56.5985 42.4749 179.4187 65 T 3.9427 7.8544 115.9564 66.3907 68.8230 176.9300 66 V 3.6109 7.7910 119.8536 65.8855 31.6169 176.8289 67 L 4.1500 7.4649 116.5617 55.1952 41.6741 176.9558 68 R 3.8019 7.4254 116.0725 57.2937 28.2868 177.9624 69 A 4.3989 7.5198 120.2265 50.3685 16.6424 177.2922 70 D 4.3116 8.2039 123.8183 57.5002 40.9212 177.6150 71 D 4.3827 8.1696 118.3584 57.9481 40.8157 178.9944 72 Q 4.1416 8.0474 117.5732 58.3706 28.7388 178.7944 73 L 3.9475 7.8349 121.9693 58.1738 42.1612 178.7819 74 K 3.9338 8.1347 118.7091 59.5788 32.0777 179.4434 75 S 4.2313 7.8314 113.6759 61.9893 62.9604 176.4023 76 H 4.2450 8.1783 119.6840 57.8613 28.2610 177.9558 77 V 3.6684 7.8477 120.6245 66.0247 31.2839 178.1142 78 R 4.0549 7.7687 116.4325 59.4197 30.1075 178.9566 79 G 3.8512 7.9727 104.9125 48.0569 0.0000 175.4908 80 A 4.0557 8.0378 121.8824 55.0508 18.6947 179.5901 81 L 4.2150 8.1343 116.1022 57.3867 41.9692 179.2431 82 N 4.5795 8.2871 116.6549 55.7460 38.8180 176.9226 83 A 4.2872 7.5916 117.9679 52.8865 18.3262 176.3640 84 G 3.6266 8.0934 110.2815 46.7936 0.0000 174.4546 85 C 3.8200 7.3342 117.1316 57.4387 28.9067 174.9061 86 S 4.5059 8.9605 119.6881 57.4969 65.2798 175.6444 87 K 3.9055 8.5012 124.8246 60.3616 31.8482 179.8114 88 D 4.4896 8.1116 120.8142 58.5994 39.6045 180.4465 89 E 4.2131 8.2796 120.2072 59.2551 29.2289 179.6440 90 I 3.7760 7.4434 118.6379 64.6879 37.3780 178.0856 91 I 3.8027 7.7376 119.0387 64.6305 37.1110 178.1171 92 E 4.1479 8.0762 118.9691 59.3494 29.1308 180.4191 93 V 3.6492 7.0897 109.9215 62.3899 32.5059 177.3805 *95 I 4.1327 7.6909 121.1006 61.5278 39.1965 178.2455 96 Q 4.1409 8.4397 123.3165 55.4937 27.8008 177.5879 *98 A 4.6084 7.9833 120.4292 51.9220 20.6940 179.9011 99 V 3.5499 7.6657 114.8117 65.6523 31.7551 176.6714 100 Y 4.1187 8.0896 115.3168 58.8891 38.4087 175.8467 101 A 4.5339 8.2315 118.9667 51.2099 20.4667 176.8368 102 G 4.2287 7.9969 101.1505 46.3781 0.0000 174.9841 103 F 3.9501 8.9583 117.2383 59.9780 38.9102 176.2423 104 P 4.2799 0.0000 0.0000 65.7756 31.0518 177.9933 105 A 3.9636 8.0891 119.0456 54.7957 18.2772 178.9111 106 A 3.8889 7.9252 117.4731 55.4436 18.4134 179.8107 107 I 3.6219 8.0078 118.1186 64.4728 37.1104 177.9985 108 N 4.2266 8.2107 117.6255 56.8074 38.5147 176.7110 109 A 3.9423 7.8783 120.6777 54.9894 18.7010 179.4583 110 V 3.5404 7.9889 117.0052 66.2418 31.5228 177.9644 111 L 3.8801 8.0257 118.5058 58.1306 41.6124 179.6121 112 A 3.9688 7.8678 119.8595 54.9084 18.2868 179.4310 113 A 3.8857 7.9966 119.3918 54.4854 18.1659 179.6777 114 K 3.8524 7.2446 118.0110 59.6294 32.4097 178.6453 115 E 4.1212 8.0483 118.5902 59.4336 29.3832 179.3632 116 V 3.7105 7.1961 117.0737 64.9777 31.4472 177.8672 117 F 4.8497 8.6817 114.8914 58.0012 38.8721 175.4768 118 T 4.4959 7.9297 115.6402 61.6387 69.9966 173.8428 119 E 4.1885 8.6789 124.6899 56.4772 29.5932 177.1885 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 E 8.43 4.28 0.00 1.89 2.04 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 2.17 2.23 0.00 3 R 7.32 4.19 0.00 1.92 1.91 0.00 3.03 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 1.45 1.66 0.00 4 Y 7.75 4.49 0.00 3.11 2.98 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 5 R 7.54 4.29 0.00 1.93 2.07 0.00 3.04 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.62 0.00 6 R 8.24 4.07 0.00 1.91 2.15 0.00 3.44 0.00 0.00 3.41 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.64 0.00 7 G 7.97 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 *9 E 8.33 4.21 0.00 2.17 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 0.00 2.56 2.31 0.00 10 I 7.43 3.72 2.19 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.08 1.06 0.00 0.00 11 L 8.33 3.78 0.00 1.27 1.22 -0.27 -1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 12 N 7.11 4.51 0.00 2.72 2.84 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 13 R 7.25 4.06 0.00 1.76 1.96 0.00 3.35 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.79 0.00 *15 N 8.01 4.50 0.00 2.78 2.72 0.00 0.00 7.23 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 16 R 7.59 4.45 0.00 1.86 1.92 0.00 3.39 0.00 0.00 3.30 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.15 0.00 17 K 8.04 4.15 0.00 1.79 1.90 0.00 1.63 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.51 7.81 18 S 7.24 4.53 0.00 4.02 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 19 Y 7.54 4.60 0.00 2.88 2.98 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 20 T 8.29 3.70 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 21 A 7.71 4.09 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 22 I 6.97 4.14 1.82 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 1.29 0.51 0.93 0.00 0.00 23 R 7.43 4.23 0.00 1.95 1.85 0.00 2.98 0.00 0.00 3.05 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.40 0.00 24 D 7.47 5.15 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 25 E 7.70 4.78 0.00 1.84 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 1.86 0.00 26 L 7.74 3.77 0.00 1.46 1.82 0.82 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 27 E 7.94 4.41 0.00 2.02 1.82 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 2.18 1.85 0.00 28 D 8.02 4.59 0.00 2.76 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 29 V 6.81 4.44 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 0.78 0.00 0.00 0.93 0.00 0.00 30 A 8.65 3.90 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 31 P 0.00 4.60 0.00 2.22 2.40 0.00 3.68 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 32 D 7.45 4.06 0.00 2.64 2.32 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 33 L 7.87 4.18 0.00 1.69 1.75 1.07 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.96 4.29 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 35 R 8.76 3.94 0.00 1.71 1.97 0.00 3.29 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 36 F 8.84 4.77 0.00 3.29 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 37 V 8.24 3.73 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 1.00 0.00 0.00 1.14 0.00 0.00 38 A 7.97 3.99 1.27 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 39 E 8.66 3.63 0.00 2.23 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 0.00 2.26 2.25 0.00 40 F 8.46 4.42 0.00 3.01 3.14 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 0.00 0.00 0.00 0.00 41 A 8.14 3.93 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 42 Y 7.99 4.11 0.00 2.90 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 43 G 7.72 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 7.63 4.89 0.00 2.48 2.52 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 45 V 7.19 4.10 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 0.82 0.00 0.00 0.47 0.00 0.00 46 Y 8.01 3.76 0.00 2.48 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 47 S 8.07 4.23 0.00 4.01 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 48 R 7.35 4.20 0.00 1.77 1.99 0.00 3.24 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 49 G 7.50 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 50 V 7.86 4.32 2.03 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 0.71 0.00 0.00 0.90 0.00 0.00 51 L 7.64 4.60 0.00 1.48 1.42 0.82 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.66 4.50 0.00 2.60 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 53 L 8.77 4.00 0.00 1.77 1.74 1.06 0.45 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 54 K 8.12 4.03 0.00 1.84 1.86 0.00 1.77 0.00 0.00 1.92 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.60 1.56 7.81 55 T 8.08 3.96 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 1.14 0.00 0.00 56 R 7.88 3.79 0.00 1.54 1.20 0.00 2.81 0.00 0.00 2.46 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.49 0.00 57 E 8.14 4.20 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.76 0.00 58 L 7.45 4.04 0.00 2.09 1.68 0.95 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 59 L 8.25 3.94 0.00 1.66 1.66 0.79 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 60 T 7.81 4.05 4.48 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 0.00 0.00 0.00 0.98 0.00 0.00 61 L 7.70 4.08 0.00 1.86 1.71 1.03 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.85 4.23 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.00 4.44 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.01 4.32 0.00 1.74 1.72 0.91 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 65 T 7.85 3.94 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 66 V 7.79 3.61 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.94 0.00 0.00 67 L 7.46 4.15 0.00 1.81 1.71 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.43 3.80 0.00 1.94 2.01 0.00 3.16 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 69 A 7.52 4.40 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 70 D 8.20 4.31 0.00 2.74 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.17 4.38 0.00 2.73 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 72 Q 8.05 4.14 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.93 0.00 0.00 0.00 0.00 0.00 2.52 2.54 0.00 73 L 7.83 3.95 0.00 2.01 1.83 0.90 0.46 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 74 K 8.13 3.93 0.00 2.01 1.88 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.62 1.68 7.81 75 S 7.83 4.23 0.00 4.06 4.14 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 0.00 0.00 0.00 0.00 76 H 8.18 4.25 0.00 3.32 3.47 0.00 5.62 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 7.85 3.67 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 1.31 0.00 0.00 1.02 0.00 0.00 78 R 7.77 4.05 0.00 2.22 1.99 0.00 3.29 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 79 G 7.97 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 80 A 8.04 4.06 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 81 L 8.13 4.22 0.00 1.80 1.75 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 82 N 8.29 4.58 0.00 2.89 2.86 0.00 0.00 6.71 8.62 0.00 0.00 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 A 7.59 4.29 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 G 8.09 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 85 C 7.33 3.82 0.00 3.04 2.88 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 86 S 8.96 4.51 0.00 4.04 3.97 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 87 K 8.50 3.91 0.00 1.65 1.73 0.00 1.37 0.00 0.00 1.18 0.00 0.00 2.26 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.30 1.02 7.81 88 D 8.11 4.49 0.00 2.68 2.68 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 89 E 8.28 4.21 0.00 2.23 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 0.00 2.34 2.37 0.00 90 I 7.44 3.78 2.32 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.72 0.96 0.00 0.00 91 I 7.74 3.80 2.09 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.86 0.93 0.00 0.00 92 E 8.08 4.15 0.00 2.25 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 2.55 2.51 0.00 93 V 7.09 3.65 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 0.79 0.00 0.00 0.97 0.00 0.00 *95 I 7.69 4.13 2.02 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 1.27 0.66 0.88 0.00 0.00 96 Q 8.44 4.14 0.00 2.04 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.38 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 *98 A 7.98 4.61 0.67 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 0.00 0.00 99 V 7.67 3.55 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 0.38 0.00 0.00 0.89 0.00 0.00 100 Y 8.09 4.12 0.00 3.01 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 0.00 101 A 8.23 4.53 1.27 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 0.00 102 G 8.00 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 0.00 103 F 8.96 3.95 0.00 3.12 3.16 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 0.00 104 P 0.00 4.28 0.00 2.19 2.14 0.00 3.69 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 105 A 8.09 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.93 3.89 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 0.00 107 I 8.01 3.62 1.99 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.71 0.93 0.00 0.00 108 N 8.21 4.23 0.00 2.87 3.06 0.00 0.00 7.16 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 0.00 109 A 7.88 3.94 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 0.00 110 V 7.99 3.54 2.16 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 1.03 0.00 0.00 0.90 0.00 0.00 111 L 8.03 3.88 0.00 1.88 1.71 0.92 0.57 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 0.00 112 A 7.87 3.97 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 0.00 113 A 8.00 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 K 7.24 3.85 0.00 1.63 2.06 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.50 7.81 115 E 8.05 4.12 0.00 2.02 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 2.57 2.31 0.00 116 V 7.20 3.71 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 0.91 0.00 0.00 1.06 0.00 0.00 117 F 8.68 4.85 0.00 3.07 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 0.00 118 T 7.93 4.50 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 119 E 8.68 4.19 0.00 1.97 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 2.33 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.