NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.1484 8.3444 119.6872 55.4818 30.3499 175.1217 2 L 3.6309 7.9044 121.2645 54.4347 41.2315 170.4886 3 V 4.5755 8.8226 120.2257 59.4509 37.5058 174.4076 4 L 4.9122 8.3628 121.5501 53.4883 44.5405 175.9929 5 T 4.5512 8.6604 121.4796 62.1637 70.2807 174.1330 6 Q 5.3408 8.5708 125.1264 53.8024 31.3080 175.6360 7 S 4.4783 8.9375 117.3852 58.4214 63.8664 174.3812 8 S 4.4187 8.5565 116.5474 58.2421 63.3294 174.6463 9 S 4.6114 8.5118 119.2013 59.2664 63.3975 173.3841 10 A 4.6633 8.8262 124.0622 50.9592 23.0516 174.9265 11 S 5.4140 8.1321 114.4082 57.1210 65.7258 174.1013 12 F 4.8453 9.4930 120.6377 55.9202 43.5030 174.2222 13 S 4.7175 8.8765 118.5866 57.4896 63.8202 173.2024 14 L 3.9972 8.2304 125.3853 56.1390 42.6651 177.0029 15 G 3.9701 9.5603 114.8670 45.4197 0.0000 174.4831 16 A 4.5972 7.8666 122.3274 52.0586 18.8211 175.6867 17 S 5.0346 8.4612 109.2412 57.0607 66.9256 173.7894 18 A 4.5142 9.0705 125.1157 49.7669 22.2867 174.8227 19 K 4.7628 8.5059 121.5169 54.6259 34.9895 175.1926 20 L 4.9295 8.8684 127.6273 53.3370 44.7255 175.5270 21 T 5.3621 8.9148 118.5058 62.0442 72.1302 172.4862 22 C 5.2773 9.2590 124.9737 55.3325 47.7195 172.4994 23 T 5.0585 9.0435 124.1394 61.7817 69.9844 174.8139 24 L 4.5370 8.8400 127.3928 54.1623 42.8703 177.0930 25 S 4.1461 8.3489 115.1580 58.7655 63.8254 175.3814 26 S 3.9194 8.6276 118.6945 61.6074 62.7056 175.4685 27 Q 4.0183 7.9437 119.8260 58.4002 29.2030 176.0766 28 H 4.5220 8.3254 116.3434 55.4395 29.3925 175.5289 *31 S 4.4010 8.1878 114.9392 58.1402 64.6730 174.1880 32 T 4.4809 7.8641 109.1769 61.5772 68.9067 174.1542 33 Y 4.3324 7.8333 119.4235 58.6503 38.8227 175.0923 34 T 4.7055 8.3229 118.8048 62.4904 70.0253 174.4433 35 I 4.5316 8.3759 119.5967 59.2358 41.1252 174.0138 36 E 5.1928 9.0426 121.4089 54.3689 33.1758 175.2354 37 W 5.2581 9.2644 123.1390 55.2652 31.9806 174.6455 38 Y 5.2953 9.7893 121.1463 56.2542 41.7096 174.1084 39 Q 4.7139 9.2785 124.1486 54.2241 32.3218 173.9653 40 Q 4.6436 8.6549 126.8997 54.3630 31.9291 174.4405 41 Q 4.5667 8.5890 125.6391 54.3327 30.7130 173.9456 42 P 4.2211 0.0000 0.0000 64.5275 31.6034 176.2127 43 L 3.6301 8.7092 120.3876 55.2116 39.4846 174.0535 44 K 4.6511 7.6916 117.2474 53.5356 34.7504 174.3700 45 P 4.4285 0.0000 0.0000 61.7914 31.8663 175.0131 46 P 4.6665 0.0000 0.0000 62.7957 32.3045 175.6385 47 K 4.7507 9.1056 122.8129 54.5133 35.7318 174.7123 48 Y 4.2304 9.0381 128.5974 58.4724 38.9400 174.7282 49 V 3.8415 8.4206 127.6137 63.8362 32.7956 175.1724 50 M 4.6333 6.8590 114.8492 54.3978 34.5806 171.8228 51 E 5.0711 8.8969 120.7075 54.3783 32.4137 174.2157 52 L 5.1431 9.1345 128.8148 53.3656 45.1891 176.5068 53 K 4.5859 8.9716 126.7405 54.8736 33.3427 178.1465 54 K 3.9823 8.5526 119.0053 59.8176 32.3617 177.4057 55 D 4.6077 8.1486 116.8916 52.8644 39.5151 177.3317 56 G 4.0684 8.2499 108.2888 46.1224 0.0000 174.5690 57 S 4.3745 9.0454 115.8303 58.7556 63.7462 172.5973 58 H 5.7356 8.1013 115.9926 55.9356 31.4245 172.6737 59 S 4.8135 8.4858 112.7153 56.9622 66.0394 173.7309 60 T 4.6408 8.6741 114.0170 60.3899 71.2740 174.1616 61 G 4.1668 8.7396 110.5519 45.1374 0.0000 172.9380 62 D 4.6471 8.6319 119.7798 55.3889 41.2876 177.1863 63 G 3.8615 8.8414 110.2037 45.9429 0.0000 172.8477 64 I 4.1704 7.0065 119.5702 58.5448 38.3136 174.3070 65 P 4.4932 0.0000 0.0000 62.3786 31.7682 176.9615 66 D 4.6213 8.6135 119.7995 54.9799 39.4978 177.2439 67 R 4.0043 7.9317 118.9783 57.5192 30.5622 175.2443 68 F 5.1145 8.0940 118.0735 55.7488 40.3007 175.3780 69 S 4.7258 9.0494 117.7898 56.6931 66.9701 172.9227 70 G 5.1012 8.0382 106.2928 45.3330 0.0000 171.4599 71 S 4.9644 8.4260 113.9025 57.4959 66.4046 172.6756 72 S 5.0816 8.5619 114.5833 57.5712 67.8920 174.1619 73 S 4.7310 8.9514 114.9918 58.2526 64.6619 176.1938 74 G 3.9452 8.1321 119.8795 46.4363 0.0000 173.4472 75 A 4.2341 8.6495 130.0991 52.6749 19.2425 177.3281 76 D 4.8729 7.7494 116.7413 53.6583 42.6689 175.8846 77 R 4.7580 8.4289 120.2109 54.6232 34.1956 173.8059 78 Y 5.5110 9.1654 121.6082 56.1182 41.5329 174.3907 79 L 4.5995 8.4647 125.5074 53.3532 44.2459 174.9501 80 S 4.9519 9.1743 123.6167 56.8396 65.2796 173.2464 81 I 4.0085 8.7005 127.0222 59.4347 38.8238 174.5697 82 S 4.4705 8.6051 122.9800 57.2650 63.6583 173.4835 83 N 4.4752 8.4486 121.8286 52.7941 36.7548 173.2190 84 I 3.6602 7.7725 119.7949 61.8541 38.2021 176.4091 85 Q 4.7989 8.3529 123.9785 53.3468 31.3366 175.2242 86 P 4.2519 0.0000 0.0000 65.8826 31.3166 178.9929 87 E 4.0289 8.2721 113.9178 58.8434 29.2623 177.5192 88 D 4.6748 7.6873 118.1122 55.9060 41.2395 175.9365 89 E 4.5617 8.6447 121.1215 56.5015 30.0882 175.7498 90 A 4.3368 8.2545 127.2499 52.0409 23.0831 173.7914 91 I 4.8287 7.8591 118.5742 60.1229 39.7129 174.9824 92 Y 5.1232 9.7156 125.2807 56.3860 40.4723 174.7598 93 I 5.1975 9.4115 125.6208 59.6239 40.7998 172.3189 94 C 5.1478 8.8443 120.1977 53.8473 41.9806 172.7201 95 G 4.4541 9.2038 106.8272 43.8306 0.0000 171.7890 96 V 4.4340 7.6299 120.3944 59.6247 34.8074 175.0541 97 G 4.2399 8.0488 111.0716 44.7736 0.0000 172.0258 98 D 4.4609 8.0162 117.0726 53.9124 45.4079 175.5031 99 T 4.5459 8.3506 116.0257 59.9341 67.2719 174.2297 100 I 3.6129 8.4706 129.5956 63.2448 37.9256 177.3707 101 K 4.2581 8.1923 124.7125 56.1451 31.2678 176.3308 102 E 3.9223 8.1932 114.5837 56.7094 27.6971 174.4334 103 Q 4.6500 7.6691 119.4224 53.6838 31.9491 174.5145 104 F 4.5178 8.9584 122.9841 58.8347 39.8677 174.7649 105 V 4.6325 8.4515 119.5123 62.2459 35.6532 172.7509 106 Y 4.7190 8.4521 126.7463 56.7209 42.0341 173.0784 107 V 4.5425 8.1659 127.1354 61.1569 34.2652 174.5017 108 F 5.1795 8.9482 125.0681 55.8896 41.6353 175.1762 109 G 4.0400 8.9124 108.7286 44.8396 0.0000 175.1022 110 G 3.4458 8.7388 108.0161 46.4353 0.0000 174.9235 111 G 4.2858 7.8705 105.0548 46.1143 0.0000 172.9536 112 T 4.7547 8.8915 116.8283 61.3923 72.2998 172.8462 113 K 4.9675 9.0178 128.2839 55.3374 34.1181 175.1331 114 V 4.9435 9.5511 128.9032 61.7078 33.3879 174.3255 115 T 5.0011 8.9690 118.5788 59.9370 71.5751 174.9926 116 V 5.0268 8.9747 122.6746 62.5146 31.5469 175.3583 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 Q 8.34 4.15 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.10 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 2 L 7.90 3.63 0.00 1.47 1.45 0.80 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 3 V 8.82 4.58 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 0.85 0.00 0.00 0.88 0.00 0.00 4 L 8.36 4.91 0.00 1.40 1.43 0.80 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.66 4.55 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 1.23 0.00 0.00 6 Q 8.57 5.34 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.03 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 7 S 8.94 4.48 0.00 3.96 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 8 S 8.56 4.42 0.00 3.93 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 9 S 8.51 4.61 0.00 3.81 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 10 A 8.83 4.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.13 5.41 0.00 3.61 3.73 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 12 F 9.49 4.85 0.00 2.88 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 13 S 8.88 4.72 0.00 3.90 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 14 L 8.23 4.00 0.00 1.62 1.59 0.93 1.15 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 15 G 9.56 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 0.00 0.00 0.00 16 A 7.87 4.60 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 17 S 8.46 5.03 0.00 3.66 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 18 A 9.07 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.51 4.76 0.00 1.59 1.59 0.00 1.47 0.00 0.00 1.49 0.00 0.00 2.13 0.00 0.00 2.20 0.00 0.00 0.00 0.00 1.23 1.31 7.81 20 L 8.87 4.93 0.00 1.36 1.52 0.69 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.91 5.36 4.41 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 1.29 0.00 0.00 22 C 9.26 5.28 0.00 2.66 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 23 T 9.04 5.06 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 1.22 0.00 0.00 24 L 8.84 4.54 0.00 1.49 1.54 1.01 0.75 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 25 S 8.35 4.15 0.00 3.92 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 26 S 8.63 3.92 0.00 3.82 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 27 Q 7.94 4.02 0.00 1.90 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 7.29 0.00 0.00 0.00 0.00 0.00 2.12 2.28 0.00 28 H 8.33 4.52 0.00 2.46 1.31 0.00 5.89 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 *31 S 8.19 4.40 0.00 3.99 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 32 T 7.86 4.48 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 33 Y 7.83 4.33 0.00 2.83 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 34 T 8.32 4.71 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 1.26 0.00 0.00 35 I 8.38 4.53 1.67 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.94 0.76 0.00 0.00 36 E 9.04 5.19 0.00 2.08 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 2.34 0.00 37 W 9.26 5.26 0.00 3.09 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 38 Y 9.79 5.30 0.00 3.22 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 39 Q 9.28 4.71 0.00 2.04 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 1.98 1.63 0.00 40 Q 8.65 4.64 0.00 2.08 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.72 0.00 0.00 0.00 0.00 0.00 2.19 2.42 0.00 41 Q 8.59 4.57 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.72 0.00 0.00 0.00 0.00 0.00 2.58 2.34 0.00 42 P 0.00 4.22 0.00 2.03 2.05 0.00 3.83 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 43 L 8.71 3.63 0.00 1.78 1.75 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.69 4.65 0.00 1.84 1.69 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.54 7.81 45 P 0.00 4.43 0.00 2.04 1.97 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 46 P 0.00 4.67 0.00 1.89 1.98 0.00 3.57 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.02 0.00 47 K 9.11 4.75 0.00 1.80 1.74 0.00 1.63 0.00 0.00 1.53 0.00 0.00 2.73 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.40 7.81 48 Y 9.04 4.23 0.00 3.15 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 49 V 8.42 3.84 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 0.62 0.00 0.00 0.83 0.00 0.00 50 M 6.86 4.63 0.00 1.97 2.19 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.52 0.00 51 E 8.90 5.07 0.00 2.24 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 2.27 2.28 0.00 52 L 9.13 5.14 0.00 1.90 1.58 1.04 0.70 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 53 K 8.97 4.59 0.00 2.04 1.74 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.45 1.40 7.81 54 K 8.55 3.98 0.00 1.88 2.13 0.00 1.58 0.00 0.00 1.92 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.45 7.81 55 D 8.15 4.61 0.00 2.83 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 56 G 8.25 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 57 S 9.05 4.37 0.00 3.97 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 58 H 8.10 5.74 0.00 3.26 3.36 0.00 5.27 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.49 4.81 0.00 3.91 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 60 T 8.67 4.64 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 1.24 0.00 0.00 61 G 8.74 4.17 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 0.00 0.00 0.00 62 D 8.63 4.65 0.00 2.71 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 63 G 8.84 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 64 I 7.01 4.17 1.87 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.94 0.67 0.00 0.00 65 P 0.00 4.49 0.00 2.44 2.07 0.00 3.72 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.16 0.00 66 D 8.61 4.62 0.00 2.79 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 67 R 7.93 4.00 0.00 1.63 2.03 0.00 3.09 0.00 0.00 3.38 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 68 F 8.09 5.11 0.00 2.99 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 69 S 9.05 4.73 0.00 3.82 3.89 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 70 G 8.04 5.10 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 0.00 0.00 0.00 71 S 8.43 4.96 0.00 4.00 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 72 S 8.56 5.08 0.00 3.88 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 73 S 8.95 4.73 0.00 4.13 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 74 G 8.13 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 0.00 0.00 0.00 75 A 8.65 4.23 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 76 D 7.75 4.87 0.00 2.71 1.64 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 77 R 8.43 4.76 0.00 1.73 1.83 0.00 3.23 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 1.42 1.61 0.00 78 Y 9.17 5.51 0.00 2.95 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 79 L 8.46 4.60 0.00 0.27 0.23 0.57 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 80 S 9.17 4.95 0.00 3.62 3.57 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 81 I 8.70 4.01 1.30 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.40 0.24 0.00 0.00 82 S 8.61 4.47 0.00 3.66 3.66 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 83 N 8.45 4.48 0.00 2.76 2.68 0.00 0.00 7.36 7.94 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 84 I 7.77 3.66 1.83 0.00 0.00 0.46 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 0.28 0.90 0.00 0.00 85 Q 8.35 4.80 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 86 P 0.00 4.25 0.00 2.20 2.12 0.00 3.63 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 2.13 2.09 0.00 87 E 8.27 4.03 0.00 2.12 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 0.00 2.34 2.45 0.00 88 D 7.69 4.67 0.00 2.93 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 89 E 8.64 4.56 0.00 2.04 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 2.37 2.45 0.00 90 A 8.25 4.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 I 7.86 4.83 1.84 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 1.27 0.65 0.98 0.00 0.00 92 Y 9.72 5.12 0.00 3.00 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 93 I 9.41 5.20 2.15 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 1.34 0.70 1.19 0.00 0.00 94 C 8.84 5.15 0.00 2.21 1.44 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 0.00 95 G 9.20 4.45 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 0.00 96 V 7.63 4.43 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 0.38 0.00 0.00 0.96 0.00 0.00 97 G 8.05 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 0.00 0.00 0.00 0.00 98 D 8.02 4.46 0.00 2.88 2.50 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 0.00 0.00 0.00 99 T 8.35 4.55 4.33 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 1.21 0.00 0.00 100 I 8.47 3.61 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.58 0.94 0.00 0.00 101 K 8.19 4.26 0.00 1.80 1.73 0.00 1.88 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.46 7.81 102 E 8.19 3.92 0.00 2.17 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 2.24 2.29 0.00 103 Q 7.67 4.65 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.88 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 104 F 8.96 4.52 0.00 2.90 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 0.00 105 V 8.45 4.63 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 0.84 0.00 0.00 0.98 0.00 0.00 106 Y 8.45 4.72 0.00 3.06 2.69 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 0.00 0.00 0.00 107 V 8.17 4.54 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 0.99 0.00 0.00 0.87 0.00 0.00 108 F 8.95 5.18 0.00 2.98 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 0.00 109 G 8.91 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 0.00 0.00 0.00 0.00 110 G 8.74 3.45 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 0.00 111 G 7.87 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 0.00 112 T 8.89 4.75 4.51 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 0.00 0.00 0.00 1.45 0.00 0.00 113 K 9.02 4.97 0.00 1.93 1.76 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.44 7.81 114 V 9.55 4.94 2.46 0.00 0.00 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 1.04 0.00 0.00 115 T 8.97 5.00 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 1.30 0.00 0.00 116 V 8.97 5.03 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 1.01 0.00 0.00 1.04 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.