NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 A 4.3832 8.1233 123.5874 52.3842 21.0274 178.9475 10 N 4.1214 8.2135 113.1140 56.3838 38.5756 175.9103 11 S 4.3281 8.9266 117.1240 61.7222 63.2487 176.7437 12 T 3.8663 7.6790 118.0990 66.6655 68.3567 176.6633 13 V 3.4247 7.9340 120.1619 65.8071 31.5726 177.5934 14 L 3.7486 8.1826 119.0955 58.0536 41.3593 179.5024 15 S 4.1422 7.9948 112.5198 61.5556 62.0923 175.9571 16 F 4.5271 8.0449 121.5606 61.8016 39.5129 176.6000 17 C 3.6993 8.3106 116.4172 62.4535 27.6466 175.8494 18 A 3.7504 8.0173 121.8497 54.4118 17.8917 178.6857 19 F 4.5997 7.1572 111.5686 56.4693 38.5995 176.0702 20 A 4.3507 6.9989 122.8177 51.4718 19.0847 179.6734 21 V 3.8294 8.2454 113.4020 63.7290 32.0279 176.4582 22 D 4.6582 7.4384 116.2930 50.3116 41.7326 173.4003 23 P 4.1749 0.0000 0.0000 65.1881 31.5582 177.2624 24 A 3.9239 8.0305 118.5840 55.1816 18.2784 179.1546 25 K 3.7859 9.2243 118.1520 59.7509 32.2675 178.2243 26 A 3.9635 7.9804 120.9311 55.8429 18.1445 178.9228 27 Y 4.3678 8.0695 117.3454 60.6760 38.7788 178.4241 28 K 3.8373 8.1674 120.4844 59.7097 32.1889 178.5288 29 D 4.4197 8.4373 118.0574 57.4335 41.0112 177.7882 30 Y 4.3152 8.7743 120.2942 60.8859 38.7435 178.2246 31 L 3.5627 8.2568 119.6982 57.7785 41.5932 179.4224 32 A 3.7818 8.1748 119.1489 54.5585 18.1660 178.7448 33 S 4.6029 7.5727 111.9817 57.8402 63.2040 174.5448 34 G 3.7140 8.4241 109.7177 46.1149 0.0000 174.7442 35 G 2.7994 7.1106 107.2676 44.1264 0.0000 173.9426 36 Q 4.1164 8.4190 122.7675 54.6320 29.7272 174.3876 37 P 4.7262 0.0000 0.0000 62.5359 32.0860 176.1073 38 I 4.0499 8.5585 121.7316 61.7122 37.4265 175.8373 39 T 4.6505 8.7965 114.3989 60.5687 71.3697 172.7888 40 N 4.3042 8.7563 114.9651 54.6969 34.7448 174.7955 41 C 4.4155 8.0598 116.2523 58.3283 28.6986 174.1394 42 V 3.7251 8.5374 118.9586 62.1635 32.0572 175.8081 43 K 4.4825 8.7161 125.1314 55.9112 33.1547 176.4281 44 M 4.5274 8.2852 123.1758 53.7354 34.4767 175.4753 45 L 4.4267 8.2615 122.9698 53.6365 42.6180 175.5067 46 C 4.8523 8.0411 120.1978 56.1459 32.4207 175.1246 47 T 3.5624 8.3251 110.7194 63.1124 68.5878 174.5332 48 H 4.2834 7.4961 118.1311 57.3186 26.6935 174.6710 49 T 4.6164 7.3025 103.6173 61.2519 68.8181 173.6967 50 G 4.0335 7.7023 111.0055 44.9254 0.0000 174.4192 51 T 3.8441 8.8865 110.0502 63.5715 68.4263 175.7027 52 G 4.0529 8.0665 108.2641 44.7175 0.0000 173.6478 53 Q 4.1359 7.7887 119.0275 55.4609 29.3233 176.3696 54 A 3.9542 8.5169 122.7538 54.6281 18.4964 176.9343 55 I 5.0881 7.3576 114.0199 59.6183 39.7872 174.7098 56 T 4.8529 8.8718 115.8732 60.0552 72.3844 175.2490 57 V 3.9922 8.6689 114.5415 63.2124 32.0801 176.4763 58 T 4.4503 7.5340 108.2114 58.9655 71.3963 171.7060 59 P 4.1528 0.0000 0.0000 63.6790 31.7873 176.2805 60 E 4.6371 9.2959 120.6885 55.8541 31.6835 175.4569 61 A 5.0615 7.9601 120.9690 51.9835 19.2960 177.9188 62 N 5.6166 8.3832 117.7589 51.2817 39.9196 174.9558 63 M 4.2356 8.7008 114.4422 57.5566 31.3317 176.1506 64 D 4.9058 9.4586 119.7921 54.1870 41.9313 174.8120 65 Q 5.1034 8.2428 118.5540 54.4784 34.0166 173.4467 66 E 4.9977 9.1164 118.0961 54.8813 33.9441 175.4067 67 S 5.4101 8.2483 117.3314 56.9900 66.2352 173.1401 68 F 5.4015 9.1884 121.1740 55.3576 43.8829 174.1713 69 G 3.7507 9.3314 108.3796 46.4925 0.0000 174.6715 70 G 3.8802 9.0568 114.7339 48.6916 0.0000 175.1231 71 A 3.9003 8.1700 121.4577 54.9275 18.2430 179.7073 72 S 4.0935 7.6206 111.4295 61.4839 63.2395 175.9279 73 C 4.6263 8.4097 118.1214 59.2923 28.9225 172.4375 74 C 4.4865 7.7266 120.8596 55.8945 44.6218 173.3035 75 L 3.4861 8.2363 131.0177 58.4040 41.6513 178.3741 76 Y 3.8354 7.2717 116.0686 61.1051 37.7141 178.7165 77 C 4.2891 7.9524 115.8786 59.5137 40.3757 175.4757 78 R 3.8550 7.5574 118.5658 57.9957 30.1378 177.7336 79 C 4.1138 7.8773 114.3792 59.3865 28.8380 172.8787 80 H 4.0287 8.0338 116.4917 57.0372 25.4777 173.7911 81 I 4.6587 7.3122 109.7863 58.3933 40.8230 174.8392 82 D 4.2585 8.4037 120.4119 54.8536 41.1444 176.1695 83 H 4.2085 7.6643 119.5298 53.4846 29.5432 172.7271 84 P 3.9955 0.0000 0.0000 65.8524 32.5288 178.4196 85 N 4.0374 8.2315 119.3128 53.6295 36.6140 176.9547 *89 F 4.7255 8.7653 114.6697 56.3344 41.0934 173.2345 90 C 4.0072 8.7561 117.0567 58.2629 28.1389 174.0077 91 D 4.5294 8.6761 123.1730 54.8642 39.3313 177.6394 92 L 4.3962 8.8927 122.7819 56.2246 43.0087 177.0337 93 K 3.8154 8.0266 118.6001 58.2456 32.1027 176.7143 94 G 3.8709 8.8338 113.7907 45.3860 0.0000 172.6998 95 K 4.5419 7.8331 119.7189 55.0208 35.7527 174.1642 96 Y 5.1142 8.7123 117.6925 56.9897 41.9704 174.9236 97 V 4.7971 8.9234 125.0552 61.9275 33.1005 174.6418 98 Q 5.0880 9.3227 128.5597 55.4433 29.7916 175.6204 99 I 4.2745 9.0857 124.5925 58.3381 41.1026 173.0676 100 P 4.5503 0.0000 0.0000 63.5012 31.7531 177.0363 101 T 4.0567 8.5874 122.5744 67.1666 68.5541 176.0553 102 T 4.1203 7.8901 108.1556 63.4903 68.9284 174.0407 103 C 4.6918 9.2417 118.8285 59.0766 29.8703 175.1630 104 A 4.1485 7.9561 123.2475 53.8304 17.9150 178.2500 105 N 4.6021 7.8855 112.1833 53.9122 38.8286 174.7757 106 D 4.7842 8.0789 118.8074 51.1939 41.8009 173.5866 107 P 3.8979 0.0000 0.0000 65.8579 31.6016 178.3811 108 V 4.0770 7.1080 117.4178 65.5619 31.4465 178.0313 109 G 3.8801 9.1922 105.6345 47.7179 0.0000 175.0991 110 F 3.8714 8.5870 123.6248 61.4268 39.1773 177.3955 111 T 3.6700 7.5226 107.1575 64.7259 68.4035 175.9607 112 L 4.1702 7.3325 121.2514 57.2617 41.7607 178.5736 113 R 4.3808 7.6073 114.8644 55.2804 30.4225 175.6127 114 N 5.0485 6.9174 114.8217 51.6385 42.5665 173.4851 115 T 4.9534 8.4378 115.2041 61.9656 72.3945 173.1265 116 V 4.6988 8.2013 123.6847 61.0821 33.7092 173.9515 117 C 4.7112 8.9396 123.5646 54.9554 42.5045 174.8925 118 T 3.6313 8.8648 113.5004 63.9606 68.5746 175.1267 119 V 3.8939 7.7122 121.0489 65.3685 32.3081 176.5025 120 C 4.0852 8.0764 118.0219 62.6948 31.7886 174.3775 121 G 3.9808 8.3812 105.9421 46.3737 0.0000 172.5471 122 M 4.7999 7.4343 118.5616 52.4632 34.9640 175.2050 123 W 4.8340 8.3979 120.2945 56.5422 29.7496 175.8855 124 K 4.3222 9.6070 126.2414 58.4557 31.6733 176.7593 125 G 4.1151 9.6878 115.1152 45.7240 0.0000 172.5464 126 Y 4.9136 9.0723 117.4058 55.6310 39.2521 177.3651 127 G 4.8848 8.8913 119.1857 47.1773 0.0000 174.2913 128 C 3.8136 7.8432 119.2133 57.8100 43.9982 173.7009 129 S 4.2755 8.7372 120.7950 59.1323 62.1142 170.1272 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 9 A 8.12 4.38 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 10 N 8.21 4.12 0.00 2.83 2.86 0.00 0.00 7.09 6.68 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 11 S 8.93 4.33 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 12 T 7.68 3.87 4.36 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 1.24 0.00 0.00 13 V 7.93 3.42 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 0.48 0.00 0.00 0.67 0.00 0.00 14 L 8.18 3.75 0.00 1.66 1.63 0.85 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 15 S 7.99 4.14 0.00 4.10 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 16 F 8.04 4.53 0.00 2.98 3.33 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 17 C 8.31 3.70 0.00 2.71 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 18 A 8.02 3.75 0.79 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 19 F 7.16 4.60 0.00 3.10 3.08 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 0.00 0.00 0.00 20 A 7.00 4.35 1.09 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 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.25 3.83 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 0.72 0.00 0.00 0.94 0.00 0.00 22 D 7.44 4.66 0.00 2.58 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 23 P 0.00 4.17 0.00 2.10 1.88 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.22 0.00 24 A 8.03 3.92 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 25 K 9.22 3.79 0.00 2.03 1.98 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.71 1.50 7.81 26 A 7.98 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.07 4.37 0.00 2.89 3.11 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 0.00 28 K 8.17 3.84 0.00 2.04 1.99 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.47 7.81 29 D 8.44 4.42 0.00 2.94 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 30 Y 8.77 4.32 0.00 3.34 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 31 L 8.26 3.56 0.00 1.65 1.50 0.68 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.17 3.78 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 33 S 7.57 4.60 0.00 3.82 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 34 G 8.42 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 35 G 7.11 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 0.00 0.00 0.00 36 Q 8.42 4.12 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.94 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 37 P 0.00 4.73 0.00 2.16 2.25 0.00 3.78 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 38 I 8.56 4.05 1.77 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.56 0.87 0.00 0.00 39 T 8.80 4.65 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 1.31 0.00 0.00 40 N 8.76 4.30 0.00 2.92 3.09 0.00 0.00 6.80 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 41 C 8.06 4.42 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 42 V 8.54 3.73 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 1.01 0.00 0.00 43 K 8.72 4.48 0.00 1.57 1.55 0.00 1.67 0.00 0.00 1.52 0.00 0.00 2.71 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.51 1.37 7.81 44 M 8.29 4.53 0.00 1.81 1.86 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.72 0.00 45 L 8.26 4.43 0.00 1.53 1.53 0.89 0.82 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 46 C 8.04 4.85 0.00 2.91 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 T 8.33 3.56 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 1.18 0.00 0.00 48 H 7.50 4.28 0.00 3.17 3.43 0.00 5.59 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.30 4.62 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 1.26 0.00 0.00 50 G 7.70 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 51 T 8.89 3.84 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 52 G 8.07 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 53 Q 7.79 4.14 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.71 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 54 A 8.52 3.95 -0.14 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 0.00 0.00 55 I 7.36 5.09 1.81 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 1.49 0.62 0.97 0.00 0.00 56 T 8.87 4.85 4.34 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 1.23 0.00 0.00 57 V 8.67 3.99 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 0.78 0.00 0.00 0.97 0.00 0.00 58 T 7.53 4.45 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 1.21 0.00 0.00 59 P 0.00 4.15 0.00 1.83 1.84 0.00 3.20 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.17 0.00 60 E 9.30 4.64 0.00 1.97 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 2.48 2.38 0.00 61 A 7.96 5.06 1.26 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 0.00 0.00 62 N 8.38 5.62 0.00 2.97 3.00 0.00 0.00 5.80 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 63 M 8.70 4.24 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.58 0.00 64 D 9.46 4.91 0.00 2.85 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 65 Q 8.24 5.10 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.54 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.70 0.00 66 E 9.12 5.00 0.00 1.89 1.47 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 2.22 2.40 0.00 67 S 8.25 5.41 0.00 3.64 3.75 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 68 F 9.19 5.40 0.00 3.00 3.03 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 69 G 9.33 3.75 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 0.00 0.00 0.00 70 G 9.06 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 71 A 8.17 3.90 1.31 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 0.00 0.00 72 S 7.62 4.09 0.00 4.01 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 73 C 8.41 4.63 0.00 2.97 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 74 C 7.73 4.49 0.00 3.01 3.11 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 0.00 75 L 8.24 3.49 0.00 1.33 1.03 0.37 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 7.27 3.84 0.00 2.93 2.84 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 77 C 7.95 4.29 0.00 3.04 3.08 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 0.00 0.00 0.00 78 R 7.56 3.86 0.00 1.70 1.80 0.00 3.21 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 79 C 7.88 4.11 0.00 2.77 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 80 H 8.03 4.03 0.00 3.25 3.34 0.00 5.64 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 81 I 7.31 4.66 1.81 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 1.23 0.74 0.82 0.00 0.00 82 D 8.40 4.26 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 83 H 7.66 4.21 0.00 2.66 2.77 0.00 5.73 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.00 0.00 2.00 1.77 0.00 2.56 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.42 0.00 85 N 8.23 4.04 0.00 2.85 2.68 0.00 0.00 5.97 7.43 0.00 0.00 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 F 8.77 4.73 0.00 3.01 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 90 C 8.76 4.01 0.00 3.13 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 91 D 8.68 4.53 0.00 2.82 2.87 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 0.00 92 L 8.89 4.40 0.00 1.66 1.66 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.03 3.82 0.00 1.74 1.80 0.00 1.89 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.48 7.81 94 G 8.83 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 0.00 0.00 0.00 0.00 95 K 7.83 4.54 0.00 1.76 1.91 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.67 7.81 96 Y 8.71 5.11 0.00 2.95 2.87 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 0.00 97 V 8.92 4.80 2.30 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 1.28 0.00 0.00 1.07 0.00 0.00 98 Q 9.32 5.09 0.00 2.34 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.36 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 99 I 9.09 4.27 1.93 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.04 0.12 0.00 0.00 100 P 0.00 4.55 0.00 1.72 2.04 0.00 2.20 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 2.03 0.00 101 T 8.59 4.06 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 0.00 102 T 7.89 4.12 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 1.25 0.00 0.00 103 C 9.24 4.69 0.00 2.55 2.72 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 0.00 104 A 7.96 4.15 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.89 4.60 0.00 2.85 2.96 0.00 0.00 5.77 8.06 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 0.00 106 D 8.08 4.78 0.00 2.65 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 0.00 107 P 0.00 3.90 0.00 1.72 1.08 0.00 3.48 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 1.43 1.46 0.00 108 V 7.11 4.08 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 1.03 0.00 0.00 0.75 0.00 0.00 109 G 9.19 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 0.00 110 F 8.59 3.87 0.00 2.99 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 0.00 111 T 7.52 3.67 4.39 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 1.42 0.00 0.00 112 L 7.33 4.17 0.00 1.86 1.78 0.88 0.86 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 0.00 113 R 7.61 4.38 0.00 1.56 1.86 0.00 3.05 0.00 0.00 3.19 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.92 0.00 114 N 6.92 5.05 0.00 1.47 2.38 0.00 0.00 6.71 7.42 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 0.00 115 T 8.44 4.95 4.36 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 1.26 0.00 0.00 116 V 8.20 4.70 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 0.60 0.00 0.00 -0.02 0.00 0.00 117 C 8.94 4.71 0.00 3.06 3.23 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 0.00 118 T 8.86 3.63 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 1.20 0.00 0.00 119 V 7.71 3.89 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 0.80 0.00 0.00 0.93 0.00 0.00 120 C 8.08 4.09 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.38 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 0.00 122 M 7.43 4.80 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 123 W 8.40 4.83 0.00 3.66 3.29 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 0.00 124 K 9.61 4.32 0.00 1.99 1.88 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.51 7.81 125 G 9.69 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 0.00 0.00 0.00 126 Y 9.07 4.91 0.00 3.15 3.09 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 0.00 0.00 0.00 0.00 127 G 8.89 4.88 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 0.00 128 C 7.84 3.81 0.00 3.01 3.11 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 0.00 129 S 8.74 4.28 0.00 4.10 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 * Residues marked with a * may have inaccurate shift predictions.