NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7754 8.1476 118.3408 55.4214 33.7221 173.3623 2 I 4.8043 8.6887 112.0745 58.8979 41.7191 172.4621 3 I 5.0141 8.9483 123.7158 59.5217 40.8026 176.1751 4 V 4.9423 9.0474 125.8565 61.3136 34.5364 173.3259 5 Y 5.3724 9.2352 129.4543 56.3326 41.1926 174.2284 6 T 5.1801 8.3955 119.5959 60.6493 71.6739 172.0017 7 T 4.8440 7.7521 113.3636 59.7298 71.9911 173.0404 8 F 4.6123 8.5315 120.6538 54.8296 42.7193 174.6508 9 P 4.2858 0.0000 0.0000 65.3909 31.6141 175.4223 10 D 4.5678 7.3307 116.7853 50.7851 42.2389 176.0498 11 W 3.9718 8.7498 118.6760 59.5485 28.8477 178.2073 12 E 3.9449 8.3212 119.1502 59.5269 29.1357 179.0054 13 S 3.9359 8.6466 114.2258 61.1504 63.0498 176.1289 14 A 2.5800 7.3552 123.9772 54.3771 18.0541 179.5258 15 E 3.8289 8.2587 117.3303 59.2388 29.5336 179.3753 16 K 3.8014 7.9853 119.7519 59.5143 32.1587 178.9812 17 V 3.4711 7.4712 118.2098 66.1795 31.4453 178.4519 18 V 3.6256 7.4483 112.0290 64.2834 31.3253 178.7944 19 K 3.9911 8.1820 118.4089 59.5469 31.7994 179.5520 20 T 3.8139 7.8508 116.0136 66.7727 68.4133 176.7062 21 L 4.0322 8.1703 121.0661 57.5797 41.5696 179.5605 22 L 3.9269 8.0552 120.4347 58.1705 41.9024 179.1337 23 K 4.0219 8.2830 117.4692 59.3326 32.0355 178.3160 24 E 4.2736 8.3478 116.1367 55.6568 29.5617 176.7192 25 R 3.8452 7.8251 117.3194 57.2041 28.3634 178.0527 26 L 4.3187 8.0229 119.1019 56.1567 42.1703 176.9991 27 I 4.8246 7.2353 109.9126 59.1517 40.1904 175.2945 28 A 3.9341 8.9662 125.1532 53.8939 18.9989 177.5707 *30 A 4.4464 7.8385 115.7128 51.9759 20.3056 175.9773 31 N 5.0386 8.9838 116.4053 51.6126 41.8527 173.5309 32 L 5.4142 8.7335 124.0099 53.0252 44.3379 176.2426 33 R 4.9593 8.6156 118.1577 54.9917 33.0211 174.5328 34 E 4.7074 9.0369 120.9224 57.1859 30.6572 175.2899 35 H 4.8050 8.6466 115.4062 55.2656 32.4972 172.5074 36 R 4.8481 8.7988 118.1391 54.5982 31.7529 175.6175 37 A 4.9192 9.0509 126.3890 50.4958 21.6720 175.6755 38 F 5.3227 8.8742 118.8005 55.9219 42.3430 173.8262 39 Y 4.9568 8.4460 120.6880 55.5635 41.9453 173.6874 40 W 5.0165 8.9261 120.0524 55.9375 30.5219 176.6412 41 W 4.7776 10.0033 134.9184 57.2106 32.5426 174.1949 42 E 3.6204 9.3072 128.2974 57.4319 26.1395 175.7630 43 G 4.0035 8.7069 101.8659 45.4313 0.0000 171.8459 44 K 4.7644 8.1539 119.8843 54.7187 36.2678 175.3895 45 I 4.1140 7.9816 127.2478 60.2592 37.4601 175.3576 46 E 4.1871 8.7136 127.7697 55.3595 31.3377 175.5313 47 E 4.7618 8.2451 121.8494 54.5885 32.3201 174.4959 48 D 4.8194 8.7392 125.6374 52.6259 45.9185 174.8763 49 K 4.6080 8.5639 121.3479 56.4422 33.2747 175.9305 50 E 4.7364 9.1189 122.5956 54.7821 35.0999 174.4508 51 V 4.0394 8.4736 120.9606 60.9496 33.3768 175.0228 52 G 4.2770 9.1385 116.5513 45.9977 0.0000 171.4697 53 A 5.3902 8.8344 124.4557 49.9826 22.6328 174.9094 54 I 4.9862 8.9175 123.9819 59.8496 39.3541 174.7578 55 L 5.1716 9.3849 128.0768 52.9226 44.4825 175.7344 56 K 5.0875 8.4983 121.5041 55.2880 35.1748 175.2809 57 T 4.4609 8.3899 118.2418 61.7647 71.1448 172.2761 58 R 4.6606 8.4800 119.4644 55.3140 31.9093 178.0953 59 E 4.0170 8.8594 121.0962 59.6567 29.6600 178.9553 60 D 4.6194 8.1364 115.6433 54.9040 39.8050 176.9778 61 L 4.5622 7.7415 119.7573 54.2595 42.0319 177.5991 62 W 4.5631 8.1402 130.2935 60.8821 30.6364 177.6183 63 E 3.4560 8.1323 117.6969 59.1583 28.8934 178.9021 64 E 3.7959 7.9617 118.7449 59.0941 29.7607 178.3059 65 L 3.8735 8.2197 120.7898 57.9796 42.2488 178.6658 66 K 3.5168 7.8204 119.8223 59.5835 32.0024 178.5463 67 E 3.8604 7.8391 118.6553 59.3047 29.3369 179.3265 68 R 4.0360 8.1234 118.9051 59.4390 30.1279 178.5869 69 I 3.7245 7.9832 119.8512 64.3499 36.8875 178.3800 70 K 3.9122 7.6514 117.8479 59.7532 31.9765 178.9176 71 E 4.1009 7.9524 117.3997 59.0411 29.4116 178.7412 72 L 4.3089 7.6170 117.7422 55.5744 42.4821 177.1333 73 H 4.1912 8.3120 119.4822 55.3598 30.2076 173.6343 74 P 4.3816 0.0000 0.0000 65.2976 31.6436 176.3171 75 Y 4.6740 7.7643 116.4816 57.3767 38.6288 175.4001 76 D 4.5586 8.7899 123.6975 56.7157 41.4117 176.9180 77 V 4.3656 7.2905 117.6521 60.0800 31.2687 172.7269 78 P 4.3695 0.0000 0.0000 61.6536 32.8019 176.2805 79 A 4.3973 8.1147 120.9239 51.2286 20.2133 176.4105 80 I 4.6013 8.4448 123.3377 59.4221 39.0066 173.3946 81 I 4.4868 8.9166 127.1134 59.4185 39.3115 174.2841 82 R 4.6681 8.3908 127.7228 54.6344 31.4855 175.2247 83 I 4.4551 8.5269 126.9507 59.3148 40.3281 174.8093 84 D 4.6866 8.6811 127.3427 54.2410 41.6800 176.0465 85 V 4.0387 8.0928 122.6652 61.9812 31.8380 175.9557 86 D 4.4877 8.8824 128.1924 57.2980 41.1309 175.8361 87 D 4.6679 7.6249 114.8082 53.6183 43.9219 174.0735 88 V 4.4954 7.7852 121.3650 59.0339 34.1923 173.8659 89 N 4.5347 8.6320 119.8293 52.6489 38.7643 175.5106 90 E 4.0002 9.0463 123.2482 60.2360 29.5161 179.3533 91 D 4.4290 8.1411 118.9765 57.0225 40.8588 177.9352 92 Y 4.1031 8.0722 119.8885 60.4302 38.8954 177.1924 93 L 4.0539 8.2571 121.5211 57.9300 42.1731 178.8552 94 K 3.9270 8.3125 119.7495 59.1953 32.0622 178.6460 95 W 4.0395 8.0973 128.2999 60.3241 30.4149 177.6768 96 L 3.2623 7.8053 119.3054 57.9994 41.7619 178.7508 97 I 3.7778 7.8172 119.7530 64.3263 36.8163 178.2120 98 E 3.8859 7.7317 118.2356 59.4615 29.4507 178.9077 99 E 3.9332 7.7686 116.2406 56.7505 29.6815 176.7053 100 T 4.5622 6.2936 108.4070 59.1029 71.2555 173.9119 101 K 3.8653 8.5943 121.9861 56.7376 31.5170 176.9841 102 K 4.1278 8.6838 122.5811 57.3328 33.8146 175.0029 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 1 M 8.15 4.78 0.00 2.20 2.50 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.62 0.00 2 I 8.69 4.80 1.77 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 1.42 0.87 0.84 0.00 0.00 3 I 8.95 5.01 1.98 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 1.14 1.10 0.97 0.00 0.00 4 V 9.05 4.94 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 1.19 0.00 0.00 1.19 0.00 0.00 5 Y 9.24 5.37 0.00 3.02 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 6 T 8.40 5.18 4.11 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 0.00 0.00 0.00 0.99 0.00 0.00 7 T 7.75 4.84 4.21 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 0.95 0.00 0.00 8 F 8.53 4.61 0.00 2.70 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 9 P 0.00 4.29 0.00 2.15 2.20 0.00 3.52 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.69 0.00 10 D 7.33 4.57 0.00 2.90 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 11 W 8.75 3.97 0.00 3.41 3.25 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 12 E 8.32 3.94 0.00 2.05 1.95 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 2.35 2.36 0.00 13 S 8.65 3.94 0.00 3.92 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 14 A 7.36 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.26 3.83 0.00 2.11 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 2.51 2.76 0.00 16 K 7.99 3.80 0.00 1.71 1.93 0.00 1.54 0.00 0.00 1.46 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.54 7.81 17 V 7.47 3.47 1.67 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 1.15 0.00 0.00 0.91 0.00 0.00 18 V 7.45 3.63 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 0.69 0.00 0.00 0.99 0.00 0.00 19 K 8.18 3.99 0.00 1.98 1.84 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.63 7.81 20 T 7.85 3.81 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 1.21 0.00 0.00 21 L 8.17 4.03 0.00 1.83 1.74 0.99 0.78 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 22 L 8.06 3.93 0.00 2.02 1.84 1.00 0.50 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 23 K 8.28 4.02 0.00 1.85 1.85 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.66 7.81 24 E 8.35 4.27 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 2.33 2.40 0.00 25 R 7.83 3.85 0.00 1.95 1.96 0.00 3.22 0.00 0.00 3.31 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 26 L 8.02 4.32 0.00 1.75 1.73 0.91 0.55 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 27 I 7.24 4.82 2.05 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 1.30 0.66 0.97 0.00 0.00 28 A 8.97 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *30 A 7.84 4.45 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 31 N 8.98 5.04 0.00 2.76 2.80 0.00 0.00 7.06 6.06 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 32 L 8.73 5.41 0.00 1.82 1.46 1.01 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.62 4.96 0.00 1.97 2.11 0.00 3.05 0.00 0.00 3.29 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.86 0.00 34 E 9.04 4.71 0.00 2.00 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 2.80 0.00 35 H 8.65 4.80 0.00 3.21 3.42 0.00 5.23 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.80 4.85 0.00 1.90 1.82 0.00 3.26 0.00 0.00 3.37 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 37 A 9.05 4.92 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 38 F 8.87 5.32 0.00 2.85 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 39 Y 8.45 4.96 0.00 3.12 3.04 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 0.00 40 W 8.93 5.02 0.00 3.32 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 41 W 10.00 4.78 0.00 3.45 2.95 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 42 E 9.31 3.62 0.00 1.90 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 1.47 1.84 0.00 43 G 8.71 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.15 4.76 0.00 1.83 1.68 0.00 1.65 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.27 1.40 7.81 45 I 7.98 4.11 1.46 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.59 0.00 0.00 46 E 8.71 4.19 0.00 1.16 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 2.10 2.19 0.00 47 E 8.25 4.76 0.00 1.71 1.62 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 0.00 1.79 1.47 0.00 48 D 8.74 4.82 0.00 2.68 2.48 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 0.00 49 K 8.56 4.61 0.00 1.62 1.71 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.74 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 50 E 9.12 4.74 0.00 1.48 1.69 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 2.21 2.18 0.00 51 V 8.47 4.04 1.69 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 0.12 0.00 0.00 -0.27 0.00 0.00 52 G 9.14 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 0.00 0.00 0.00 0.00 53 A 8.83 5.39 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 54 I 8.92 4.99 2.00 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 1.43 1.23 1.01 0.00 0.00 55 L 9.38 5.17 0.00 1.67 1.66 1.04 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.50 5.09 0.00 1.88 1.91 0.00 1.98 0.00 0.00 1.99 0.00 0.00 2.87 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.55 1.53 7.81 57 T 8.39 4.46 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 1.33 0.00 0.00 58 R 8.48 4.66 0.00 1.83 1.95 0.00 3.18 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 59 E 8.86 4.02 0.00 2.06 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 2.39 2.32 0.00 60 D 8.14 4.62 0.00 2.81 2.82 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 61 L 7.74 4.56 0.00 1.87 1.75 0.97 1.12 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 62 W 8.14 4.56 0.00 3.39 3.21 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 63 E 8.13 3.46 0.00 1.96 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 2.45 2.32 0.00 64 E 7.96 3.80 0.00 2.00 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 2.34 2.33 0.00 65 L 8.22 3.87 0.00 1.83 1.90 0.96 0.89 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 66 K 7.82 3.52 0.00 0.79 1.24 0.00 1.50 0.00 0.00 0.83 0.00 0.00 2.54 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.11 1.04 7.81 67 E 7.84 3.86 0.00 2.07 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 2.39 2.37 0.00 68 R 8.12 4.04 0.00 1.98 2.04 0.00 3.21 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 69 I 7.98 3.72 2.00 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 0.75 0.96 0.00 0.00 70 K 7.65 3.91 0.00 1.92 1.86 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.65 7.81 71 E 7.95 4.10 0.00 2.07 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 2.33 2.64 0.00 72 L 7.62 4.31 0.00 1.66 1.72 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 73 H 8.31 4.19 0.00 3.32 3.19 0.00 5.75 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.38 0.00 2.08 2.08 0.00 3.50 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 1.55 1.81 0.00 75 Y 7.76 4.67 0.00 2.83 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 76 D 8.79 4.56 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 77 V 7.29 4.37 2.17 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 0.92 0.00 0.00 1.07 0.00 0.00 78 P 0.00 4.37 0.00 1.81 1.52 0.00 3.78 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.85 0.00 79 A 8.11 4.40 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 80 I 8.44 4.60 1.96 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 1.31 0.68 1.03 0.00 0.00 81 I 8.92 4.49 2.05 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 1.20 0.79 0.95 0.00 0.00 82 R 8.39 4.67 0.00 0.67 0.76 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.05 0.00 83 I 8.53 4.46 1.82 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 1.18 0.85 0.86 0.00 0.00 84 D 8.68 4.69 0.00 2.48 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.09 4.04 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 0.95 0.00 0.00 86 D 8.88 4.49 0.00 2.70 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 87 D 7.62 4.67 0.00 2.59 2.48 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 0.00 88 V 7.79 4.50 2.13 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 0.83 0.00 0.00 1.03 0.00 0.00 89 N 8.63 4.53 0.00 3.02 3.02 0.00 0.00 5.68 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 90 E 9.05 4.00 0.00 2.25 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 2.41 2.47 0.00 91 D 8.14 4.43 0.00 2.81 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 92 Y 8.07 4.10 0.00 3.19 3.17 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 93 L 8.26 4.05 0.00 1.95 1.90 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.31 3.93 0.00 2.04 2.05 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.47 7.81 95 W 8.10 4.04 0.00 3.36 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 96 L 7.81 3.26 0.00 1.52 1.77 1.08 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 97 I 7.82 3.78 1.83 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 1.50 1.09 0.88 0.00 0.00 98 E 7.73 3.89 0.00 1.96 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 2.47 2.49 0.00 99 E 7.77 3.93 0.00 1.16 1.50 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 0.00 1.47 1.47 0.00 100 T 6.29 4.56 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 1.13 0.00 0.00 101 K 8.59 3.87 0.00 1.72 1.82 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.27 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.41 7.81 102 K 8.68 4.13 0.00 1.97 1.82 0.00 1.60 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.39 7.81 * Residues marked with a * may have inaccurate shift predictions.