NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.0967 8.1400 114.8148 58.1684 65.5691 175.3033 2 V 3.2664 7.7327 121.1341 65.4470 31.2241 172.8546 3 V 3.5875 8.5134 118.8639 66.1144 32.0901 177.2964 4 E 4.0273 7.8942 117.8766 59.2169 29.2546 178.9416 5 L 4.0884 8.8044 121.3429 58.1406 42.1678 179.2378 6 G 3.6888 8.1954 105.6512 47.9197 0.0000 175.8404 7 K 4.1079 8.1409 120.5234 59.3030 32.0215 179.3869 8 M 4.1843 7.9436 118.8229 58.0452 31.8404 178.8466 9 I 3.6115 7.8075 120.1361 64.3700 37.4416 178.4097 10 I 3.9969 7.8135 121.9920 63.9538 36.7118 178.4856 11 Q 3.9967 7.8652 117.4435 59.2381 28.7356 178.4233 12 E 4.1158 8.6224 119.0016 59.0182 29.6057 178.6810 13 T 4.3573 8.4248 108.6228 61.1867 70.3130 176.0569 14 G 3.7926 7.7925 108.5356 45.4613 0.0000 172.8218 *16 K 4.7107 7.8286 117.8906 56.1116 33.3359 175.1524 17 S 4.6073 8.2010 116.3421 56.7480 64.5980 173.3054 18 P 4.4163 0.0000 0.0000 64.9910 31.3519 175.9647 19 F 5.2523 8.4888 119.0517 55.1410 40.4488 172.8417 20 P 4.6380 0.0000 0.0000 62.4305 31.4311 177.1068 21 S 4.4016 7.5836 116.7279 61.0978 62.9270 174.8468 22 Y 5.0347 7.6422 111.9543 57.7153 40.1938 177.2815 23 T 4.2488 8.7485 110.8809 63.9925 68.7948 175.5005 24 S 4.7902 8.0032 114.7189 58.1190 64.1490 172.8067 25 Y 4.1992 8.5505 123.7286 58.8454 39.2489 176.1876 26 G 3.4765 7.8293 117.3606 46.5316 0.0000 172.4736 27 C 4.0919 8.5358 114.6905 61.0733 28.8420 175.2075 28 F 4.7754 8.6769 116.8862 56.8613 41.0173 175.4471 29 C 4.5217 8.1104 118.6483 60.8903 28.2406 174.4037 30 G 4.2376 8.0989 111.8321 45.6090 0.0000 173.1819 31 G 4.3077 8.1159 108.0494 43.9772 0.0000 171.4218 32 G 4.4785 7.8309 107.3351 44.6719 0.0000 173.7911 33 E 4.7507 8.5721 118.4872 55.2543 32.5819 175.1988 34 R 4.8229 7.7950 118.7790 54.4785 31.7900 176.2988 35 G 4.5104 8.4641 113.3884 45.0145 0.0000 171.3489 36 P 4.7897 0.0000 0.0000 61.4722 32.2693 174.6122 37 P 4.6027 0.0000 0.0000 62.7407 31.9178 176.4113 38 L 3.7428 8.6722 122.5848 57.5204 42.0485 176.2118 39 D 4.5339 7.4577 115.0471 51.6865 41.6861 174.7380 40 A 3.9484 8.9121 119.5259 56.1681 18.1996 179.8472 41 T 3.8121 8.0342 113.6853 66.8908 68.5470 175.9402 42 D 4.5318 8.7798 119.7079 57.7564 41.3592 178.4970 43 R 3.7781 8.5278 118.5998 59.3509 29.9194 178.9261 44 C 4.1005 8.0681 116.6759 62.9818 28.1286 175.8037 45 C 4.1198 7.7390 118.4285 62.5552 27.6513 175.8411 46 L 3.6303 7.9150 121.7109 58.1324 41.5170 178.8966 47 A 3.9506 7.8703 120.5440 55.2971 18.1897 179.1779 48 H 3.9608 8.1878 116.7427 59.3767 30.0452 177.2997 49 S 3.9980 8.5290 115.2380 61.8234 61.9859 176.0022 50 C 4.1914 8.2127 118.3639 62.8385 28.1972 175.3849 51 C 4.2765 8.1966 120.5142 62.8012 31.0598 175.2950 52 Y 4.3794 8.4775 118.6759 61.1887 37.1510 178.2991 53 D 4.5559 7.8856 118.7733 56.7513 40.8520 177.5519 54 T 4.5016 7.4858 109.0176 61.4404 69.4788 174.6492 55 L 5.0097 7.5500 120.3371 53.9889 42.7186 176.1673 56 P 4.1961 0.0000 0.0000 65.6214 31.7472 177.3515 *59 D 4.7786 7.8840 116.2287 53.3017 41.2196 174.4051 *61 C 5.0863 7.3836 116.6257 60.3934 30.0494 173.0435 *67 S 4.8273 8.2807 112.2958 57.8348 62.3154 172.7771 68 P 3.9446 0.0000 0.0000 65.8209 31.5097 179.5969 69 K 4.2748 7.9947 118.5071 58.0933 32.1249 178.3331 70 T 4.4177 7.0742 103.4300 61.2634 70.4247 173.6562 71 D 4.4234 8.4488 122.8677 53.8995 41.1314 175.7879 72 R 4.3049 8.4507 126.6768 56.0693 31.1394 175.3006 73 Y 5.0667 7.8202 118.4611 55.4263 41.4876 173.5070 74 K 5.0825 9.8443 119.8783 55.2402 35.1795 175.2919 75 Y 5.0905 7.9279 118.2874 56.5308 40.8119 173.0815 76 K 4.7417 9.1308 118.7400 54.7427 37.1653 175.4862 77 R 5.0897 8.6037 119.6108 54.7415 32.5174 175.6237 78 E 4.5146 9.0764 124.3357 55.3636 32.1575 176.1395 79 N 3.9479 9.8706 122.9066 54.4699 36.0560 175.4750 80 G 3.9546 8.4901 103.7020 45.4546 0.0000 173.1620 81 E 4.7214 7.7950 120.2445 53.9089 32.3021 174.5824 82 I 4.5612 8.1684 124.9936 61.1320 38.4271 175.4899 83 I 4.4852 8.8975 127.4500 59.4545 39.7148 175.1391 84 C 4.7562 8.7514 124.8676 59.6907 28.9290 173.3925 85 E 4.5726 8.5554 119.1429 55.6823 31.8724 176.2097 86 N 5.0938 8.5507 112.5508 52.6230 41.4638 175.7760 87 S 4.2253 7.7293 113.3522 61.3105 63.3723 174.7666 88 T 4.7044 7.4525 108.3716 59.5108 71.9417 174.5120 89 S 3.8944 8.6975 116.7161 61.7145 62.9875 175.8312 *91 C 4.4569 8.0640 116.4665 59.7985 30.0074 176.1333 92 K 3.9416 7.9353 118.8486 59.3451 31.5468 179.3257 93 K 3.9748 7.7689 120.5567 59.1268 32.2079 179.1586 94 R 3.8894 8.2069 118.6866 59.1548 29.9753 179.0991 95 I 3.6235 8.1558 119.8671 64.6234 37.1360 177.8508 96 C 3.4454 7.2608 120.5716 61.7546 31.2333 175.5806 97 E 3.9826 8.0334 119.9382 59.3129 28.8396 179.1630 98 C 4.1626 8.0054 116.8866 62.9350 28.2110 175.8075 99 D 4.3386 8.2667 120.3663 57.2335 40.4154 178.5888 100 K 3.6920 8.3557 120.2568 59.6939 32.0533 178.5917 101 A 3.9581 7.8860 120.7909 54.9532 18.1441 180.0268 102 V 3.4474 7.6166 117.4631 64.5979 31.6358 178.3977 103 A 3.9188 7.9912 121.6939 54.9520 18.1608 179.7939 104 V 3.4822 7.8192 116.6468 66.0938 31.3478 177.6365 105 C 4.0007 7.9298 117.6048 62.5590 31.5764 175.1293 106 L 4.0365 8.4900 121.4943 57.7393 41.1403 179.5044 107 R 3.8371 7.9257 118.3839 59.4910 29.8961 178.3972 108 K 3.9615 8.0962 118.0261 58.6763 32.2291 176.7351 109 N 5.2345 7.4201 114.5490 52.0965 39.0192 176.4625 110 L 4.1601 8.0546 121.8386 57.4777 41.4126 178.8308 111 N 4.6366 8.2319 115.4370 54.7005 37.4518 175.9564 112 T 4.6913 8.0011 107.6243 61.1782 69.9240 173.1145 113 Y 4.0690 8.0075 124.5035 58.1867 39.3809 174.3008 114 N 4.7266 8.8023 126.3028 51.1286 40.5531 174.8839 115 K 3.8851 8.5021 127.0964 59.5225 32.3020 178.6311 116 K 2.7316 8.1669 118.8028 58.7233 31.8717 178.1136 117 Y 4.5048 7.1552 115.4599 59.6247 37.4901 177.4576 118 T 4.2111 7.4271 117.1549 65.1438 69.4962 174.1011 119 Y 4.8276 7.1056 119.0306 55.7393 38.0139 174.8878 120 Y 3.9175 7.8044 116.8149 56.6654 39.4676 174.3051 121 P 3.5959 0.0000 0.0000 62.7867 31.8328 177.2532 122 N 4.2057 7.9782 118.6122 55.2216 38.5785 176.3627 *124 F 5.2942 7.7596 111.8525 56.3347 39.3421 175.5315 125 W 4.8710 8.0557 120.1597 58.3160 29.5987 175.9472 126 C 4.9730 7.9904 115.5210 59.5427 28.3605 174.0619 127 K 4.6361 8.1049 112.6029 56.1811 33.1676 177.1278 128 G 4.2005 7.8324 109.1739 45.3234 0.0000 174.3127 129 D 4.7513 8.6073 118.9252 54.2797 42.3777 176.0128 130 I 4.5357 8.1398 122.0693 60.5541 37.6870 175.7132 131 E 4.1821 8.9599 128.6187 55.9383 30.3683 176.4440 132 K 4.2311 8.5162 125.7832 56.3326 33.1016 176.9171 133 C 4.2669 8.5557 119.3962 60.1117 28.1724 173.5745 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 S 8.14 5.10 0.00 4.49 4.64 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 2 V 7.73 3.27 2.34 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 0.99 0.00 0.00 1.04 0.00 0.00 3 V 8.51 3.59 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 1.00 0.00 0.00 0.93 0.00 0.00 4 E 7.89 4.03 0.00 1.74 1.80 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 1.47 2.21 0.00 5 L 8.80 4.09 0.00 2.03 1.90 0.84 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.20 3.69 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 0.00 0.00 0.00 7 K 8.14 4.11 0.00 2.17 2.00 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.61 7.81 8 M 7.94 4.18 0.00 1.97 2.19 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.09 0.00 9 I 7.81 3.61 2.04 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.72 0.91 0.00 0.00 10 I 7.81 4.00 2.06 0.00 0.00 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 1.59 2.06 0.94 0.00 0.00 11 Q 7.87 4.00 0.00 2.31 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.98 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 12 E 8.62 4.12 0.00 1.94 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 2.42 2.40 0.00 13 T 8.42 4.36 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 1.14 0.00 0.00 14 G 7.79 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 *16 K 7.83 4.71 0.00 1.98 1.71 0.00 1.40 0.00 0.00 1.09 0.00 0.00 2.45 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.21 1.26 7.81 17 S 8.20 4.61 0.00 4.09 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 18 P 0.00 4.42 0.00 2.34 2.29 0.00 3.67 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.18 0.00 19 F 8.49 5.25 0.00 2.99 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 20 P 0.00 4.64 0.00 1.92 0.69 0.00 3.49 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.51 0.00 21 S 7.58 4.40 0.00 4.04 3.41 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 22 Y 7.64 5.03 0.00 3.17 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 23 T 8.75 4.25 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 1.44 0.00 0.00 24 S 8.00 4.79 0.00 4.08 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 25 Y 8.55 4.20 0.00 3.27 3.07 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 26 G 7.83 3.48 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 0.00 0.00 0.00 27 C 8.54 4.09 0.00 2.83 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.68 4.78 0.00 3.28 3.10 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 29 C 8.11 4.52 0.00 3.49 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 30 G 8.10 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 31 G 8.12 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 0.00 0.00 0.00 0.00 32 G 7.83 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 0.00 0.00 0.00 0.00 33 E 8.57 4.75 0.00 1.89 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 2.30 2.28 0.00 34 R 7.80 4.82 0.00 1.73 1.95 0.00 3.19 0.00 0.00 3.40 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 35 G 8.46 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 36 P 0.00 4.79 0.00 2.10 2.01 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.84 0.00 37 P 0.00 4.60 0.00 2.11 1.90 0.00 3.73 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 1.90 1.82 0.00 38 L 8.67 3.74 0.00 1.23 0.84 -0.01 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 39 D 7.46 4.53 0.00 2.98 2.93 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 0.00 0.00 0.00 40 A 8.91 3.95 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 41 T 8.03 3.81 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 0.80 0.00 0.00 42 D 8.78 4.53 0.00 3.13 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 43 R 8.53 3.78 0.00 2.06 1.92 0.00 3.12 0.00 0.00 3.09 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 44 C 8.07 4.10 0.00 3.04 2.89 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 45 C 7.74 4.12 0.00 3.22 3.10 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 46 L 7.91 3.63 0.00 0.68 1.44 0.42 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.87 3.95 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 48 H 8.19 3.96 0.00 3.20 3.41 0.00 5.80 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.53 4.00 0.00 3.97 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 50 C 8.21 4.19 0.00 3.09 2.97 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 51 C 8.20 4.28 0.00 3.19 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 52 Y 8.48 4.38 0.00 3.08 2.93 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 0.00 0.00 0.00 53 D 7.89 4.56 0.00 2.93 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 7.49 4.50 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 1.22 0.00 0.00 55 L 7.55 5.01 0.00 1.60 1.58 0.87 1.20 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 56 P 0.00 4.20 0.00 2.21 2.32 0.00 3.90 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.96 0.00 *59 D 7.88 4.78 0.00 2.86 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 *61 C 7.38 5.09 0.00 3.00 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 *67 S 8.28 4.83 0.00 3.88 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 68 P 0.00 3.94 0.00 0.49 1.52 0.00 3.62 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 1.70 1.62 0.00 69 K 7.99 4.27 0.00 1.86 1.97 0.00 1.70 0.00 0.00 2.01 0.00 0.00 3.05 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.76 1.54 7.81 70 T 7.07 4.42 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 1.22 0.00 0.00 71 D 8.45 4.42 0.00 2.66 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 72 R 8.45 4.30 0.00 1.83 1.78 0.00 3.59 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 73 Y 7.82 5.07 0.00 3.29 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 74 K 9.84 5.08 0.00 1.67 1.75 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.57 7.81 75 Y 7.93 5.09 0.00 3.12 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 76 K 9.13 4.74 0.00 1.71 1.71 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.55 7.81 77 R 8.60 5.09 0.00 1.70 1.89 0.00 3.51 0.00 0.00 3.29 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 78 E 9.08 4.51 0.00 1.98 1.83 0.00 0.00 0.00 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 2.26 0.00 79 N 9.87 3.95 0.00 2.83 2.88 0.00 0.00 7.22 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 80 G 8.49 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 81 E 7.80 4.72 0.00 1.99 1.90 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 2.19 2.23 0.00 82 I 8.17 4.56 1.81 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.64 0.71 0.00 0.00 83 I 8.90 4.49 1.94 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 1.43 1.27 0.94 0.00 0.00 84 C 8.75 4.76 0.00 2.81 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.56 4.57 0.00 2.10 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 0.00 2.55 2.37 0.00 86 N 8.55 5.09 0.00 2.65 2.80 0.00 0.00 6.81 7.57 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 87 S 7.73 4.23 0.00 4.05 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 0.00 88 T 7.45 4.70 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 1.22 0.00 0.00 89 S 8.70 3.89 0.00 3.86 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 *91 C 8.06 4.46 0.00 3.04 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 92 K 7.94 3.94 0.00 1.98 1.93 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.26 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.50 7.81 93 K 7.77 3.97 0.00 2.00 1.94 0.00 1.50 0.00 0.00 2.05 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.33 7.81 94 R 8.21 3.89 0.00 1.83 1.93 0.00 3.16 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 95 I 8.16 3.62 1.83 0.00 0.00 0.83 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 0.92 1.05 0.00 0.00 96 C 7.26 3.45 0.00 1.76 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 97 E 8.03 3.98 0.00 2.15 1.94 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 2.43 2.45 0.00 98 C 8.01 4.16 0.00 3.45 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 99 D 8.27 4.34 0.00 2.95 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 0.00 100 K 8.36 3.69 0.00 1.65 1.94 0.00 1.67 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.40 7.81 101 A 7.89 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 0.00 102 V 7.62 3.45 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 0.57 0.00 0.00 0.77 0.00 0.00 103 A 7.99 3.92 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 0.00 104 V 7.82 3.48 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 1.04 0.00 0.00 0.93 0.00 0.00 105 C 7.93 4.00 0.00 3.19 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 0.00 106 L 8.49 4.04 0.00 1.60 1.42 0.12 0.51 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 0.00 107 R 7.93 3.84 0.00 1.99 2.09 0.00 3.12 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 108 K 8.10 3.96 0.00 1.75 2.12 0.00 1.79 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.49 7.81 109 N 7.42 5.23 0.00 2.74 2.81 0.00 0.00 7.10 6.95 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 0.00 110 L 8.05 4.16 0.00 1.74 1.73 0.96 0.57 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 0.00 111 N 8.23 4.64 0.00 2.89 3.09 0.00 0.00 5.78 7.22 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 0.00 112 T 8.00 4.69 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 1.25 0.00 0.00 113 Y 8.01 4.07 0.00 3.02 2.89 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 0.00 114 N 8.80 4.73 0.00 2.24 1.57 0.00 0.00 6.41 5.64 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 0.00 115 K 8.50 3.89 0.00 2.01 1.79 0.00 1.83 0.00 0.00 1.97 0.00 0.00 3.14 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.64 1.77 7.81 116 K 8.17 2.73 0.00 1.58 1.49 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.32 7.81 117 Y 7.16 4.50 0.00 2.17 2.05 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 0.00 118 T 7.43 4.21 4.60 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 1.42 0.00 0.00 119 Y 7.11 4.83 0.00 2.89 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 0.00 120 Y 7.80 3.92 0.00 3.00 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 0.00 121 P 0.00 3.60 0.00 0.49 0.49 0.00 2.20 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.39 0.00 122 N 7.98 4.21 0.00 2.59 2.78 0.00 0.00 6.84 8.13 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 *124 F 7.76 5.29 0.00 3.18 3.26 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 0.00 125 W 8.06 4.87 0.00 3.68 3.31 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 0.00 126 C 7.99 4.97 0.00 2.95 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 0.00 127 K 8.10 4.64 0.00 1.78 1.83 0.00 1.85 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.51 7.81 128 G 7.83 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 0.00 0.00 0.00 129 D 8.61 4.75 0.00 2.63 2.62 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 0.00 0.00 0.00 130 I 8.14 4.54 1.90 0.00 0.00 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 1.25 1.16 0.97 0.00 0.00 131 E 8.96 4.18 0.00 2.07 1.81 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 2.14 2.35 0.00 132 K 8.52 4.23 0.00 1.77 1.71 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.46 7.81 133 C 8.56 4.27 0.00 2.96 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 * Residues marked with a * may have inaccurate shift predictions.