NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2902 0.0000 0.0000 62.0441 31.9517 175.7043 3 K 3.7137 8.8105 124.1671 55.3889 30.9965 173.8961 4 K 4.0547 8.0223 123.9068 54.8907 34.6103 174.7612 5 V 5.1677 7.7571 126.1429 60.9759 34.7789 173.9169 6 L 4.4266 7.7719 117.2762 54.2807 45.5515 174.0741 7 T 5.0453 8.3601 118.4999 61.7467 71.5153 173.6529 8 G 3.9086 8.3235 111.5800 46.3697 0.0000 171.5750 9 V 4.6491 7.5005 119.5418 61.2631 33.4072 175.2295 10 V 4.1842 8.3466 127.9084 63.4656 31.5316 176.4435 11 V 3.8799 8.6446 122.6483 62.0884 33.1325 176.7080 12 S 4.8757 7.8950 114.6703 56.2134 65.1314 174.0962 13 D 4.9370 8.7306 123.3551 52.9946 40.1544 175.3945 14 K 4.4513 7.6175 117.5646 57.4975 32.4120 176.2754 15 M 4.7249 7.7063 116.6204 53.3631 35.1477 175.0100 16 Q 4.0559 8.5861 123.0252 56.6325 28.3607 175.8396 17 K 4.1362 9.1002 123.4519 57.1998 29.4192 175.6261 18 T 5.2815 7.7006 112.3017 62.5696 72.4373 173.5795 19 V 4.7244 8.8160 116.3564 60.0550 36.6873 174.7264 20 T 4.7942 8.3691 119.0963 62.1894 70.4629 173.9078 21 V 4.5737 8.6692 128.3040 61.1029 33.4957 174.5483 22 L 4.6032 8.9395 131.6957 54.7574 43.4305 175.3971 23 V 4.6844 9.2539 126.5436 61.1954 33.9229 174.2173 24 E 5.1615 8.8353 127.2673 55.4076 31.2758 175.7283 25 R 4.8815 9.4812 118.9109 54.6931 33.1055 174.0045 26 Q 5.3895 8.4108 119.5853 54.8282 31.6615 174.4314 27 F 4.7968 8.0129 111.6638 55.5620 41.3822 171.6192 28 P 4.6677 0.0000 0.0000 63.0192 32.2171 175.1287 29 H 4.7538 8.9188 124.2346 54.1456 30.9302 174.2809 30 P 4.3097 0.0000 0.0000 64.7311 31.0967 176.0786 31 L 4.4972 7.4755 116.1385 55.5099 46.3395 174.9962 32 Y 4.9203 8.1095 113.1074 57.2763 39.0491 175.4726 33 G 4.0734 7.7688 114.0567 45.8586 0.0000 173.0355 34 K 4.7439 6.9509 118.5281 50.8121 33.1823 175.1753 35 V 3.9603 8.4751 128.0871 63.1419 32.3936 174.9457 36 I 4.5866 8.5220 120.0061 58.9685 40.8373 174.1951 37 K 4.8881 8.5661 123.8166 55.5415 33.5098 175.7651 38 R 4.9883 9.1641 124.0093 55.2640 34.3118 173.4237 39 S 5.1368 8.3672 114.9180 57.3733 65.8395 173.3063 40 K 4.7056 9.0776 121.3642 54.8348 36.0321 174.7550 41 K 5.0929 8.4728 123.4705 55.0402 34.1897 175.3305 42 Y 4.5591 9.1211 121.5512 56.0547 41.4636 174.6625 43 L 4.9335 8.5945 122.9080 53.7885 43.0317 175.6872 44 A 5.0699 9.6081 127.4024 50.0427 21.7619 175.1654 45 H 4.4851 9.3757 124.1438 56.4288 31.1333 174.1444 46 D 5.1277 8.8382 125.7488 51.6380 40.6289 174.0696 47 P 4.4969 0.0000 0.0000 63.6453 31.5741 177.5138 48 E 4.5252 8.2500 117.8714 55.5837 30.4322 175.8433 49 E 4.0229 8.3814 116.6374 56.9527 27.7063 176.3461 50 K 4.0204 7.8334 118.1317 58.3191 32.9482 176.1760 51 Y 4.4687 8.2495 119.6168 56.2496 39.0889 175.6865 52 K 4.5083 8.5269 125.3239 55.0714 35.1589 174.9208 53 L 4.1575 8.2287 121.1005 56.1739 42.5142 176.8838 54 G 4.0703 8.6052 114.4424 44.9739 0.0000 172.2367 55 D 4.8499 7.9584 120.8469 53.8933 42.3489 175.5379 56 V 4.3656 8.3665 124.0313 62.6850 32.7588 175.3572 57 V 4.8431 9.0874 120.2624 59.9204 36.8376 173.8192 58 E 5.1732 8.7115 120.7011 54.9057 32.3047 175.5878 59 I 5.0089 8.9454 123.2054 59.5218 41.3952 174.0759 60 I 4.7261 8.4016 126.0289 58.7008 40.6926 172.7718 61 E 2.9258 8.9984 131.3520 56.7140 29.5411 176.2243 62 S 4.6965 7.3840 120.8913 56.0140 65.7958 174.1369 63 R 3.9525 8.2848 121.0373 55.2502 30.3958 174.0856 64 P 4.2069 0.0000 0.0000 63.6390 31.5583 175.9530 65 I 4.1561 7.9364 124.3138 62.3535 38.4847 176.1218 66 S 4.5429 7.6658 111.6726 57.0500 64.6339 175.4422 67 K 3.9289 8.6645 122.4405 57.9300 32.2656 177.2060 68 R 3.8438 8.7431 121.3809 56.6040 29.8235 175.8699 69 K 4.5512 8.3004 118.1575 55.2970 32.9048 175.7539 70 R 4.8947 8.2350 129.6505 54.4610 30.9674 175.4283 71 F 5.0217 7.9890 115.2052 57.6749 44.0217 175.1289 72 R 4.8830 8.7457 123.1389 54.7414 32.4922 176.1352 73 V 3.3891 7.9760 121.9837 63.1500 31.0922 175.1562 74 L 4.1210 9.1401 133.6416 56.8013 41.4673 177.8273 75 R 4.9849 7.6564 111.9839 53.9881 34.1963 174.0650 76 L 4.7304 8.6113 120.9549 55.0055 42.5263 176.1583 77 V 4.4174 8.3726 122.1308 62.7265 34.4596 175.1454 78 E 5.0431 7.8289 114.7287 55.4358 30.3609 175.9803 79 S 4.5151 8.7506 119.0715 59.0569 63.4535 173.1973 80 G 3.8238 8.5599 111.3469 46.4273 0.0000 174.3279 81 R 4.7035 8.0984 121.2442 55.3313 31.4882 177.0537 82 M 4.4145 7.8668 116.2941 56.6487 32.0220 177.7877 83 D 4.4318 7.9513 120.7443 56.1394 39.8317 178.1476 84 L 4.2059 7.7741 120.1893 57.1134 41.8196 179.2273 85 V 3.7048 7.7812 117.8293 65.8132 31.4346 177.7972 86 E 3.9503 8.1232 118.0204 59.4216 29.5371 179.0329 87 K 3.8582 7.6764 117.1707 60.0761 32.0655 178.4427 88 Y 4.0013 8.1653 119.2762 60.7979 38.7688 177.8898 89 L 3.7609 8.3512 119.8959 57.6769 41.5997 179.8941 90 I 3.6357 8.2223 120.1573 64.0204 36.9449 177.8747 91 R 3.6166 7.2703 118.0022 59.5513 29.9832 177.8832 92 R 3.2982 7.5016 118.1317 59.4815 29.5740 178.1595 93 Q 3.9422 8.0975 119.2391 59.2022 28.5328 178.1286 94 N 4.4360 8.0751 117.3337 55.8781 38.4534 176.7573 95 Y 4.5959 7.9972 119.0693 60.8715 37.6775 177.9698 96 E 4.0464 7.9726 119.0072 59.4195 29.4325 179.2284 97 S 4.2889 7.6585 110.8189 60.2281 63.1226 175.3195 98 L 4.4359 7.7045 121.6807 56.7463 42.4574 177.4499 99 S 4.6679 7.9001 118.4017 58.2669 63.2715 176.0465 100 K 4.2225 8.4312 116.5429 55.2306 31.3421 176.9023 *101 R 4.1415 8.0632 120.1151 56.1612 30.0213 175.3652 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 P 0.00 4.29 0.00 2.18 2.15 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.99 0.00 3 K 8.81 3.71 0.00 1.80 1.90 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.45 7.81 4 K 8.02 4.05 0.00 1.90 1.87 0.00 1.57 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.59 1.63 7.81 5 V 7.76 5.17 2.07 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 0.75 0.00 0.00 0.99 0.00 0.00 6 L 7.77 4.43 0.00 1.36 1.24 0.42 0.54 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 7 T 8.36 5.05 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 1.23 0.00 0.00 8 G 8.32 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 0.00 0.00 0.00 9 V 7.50 4.65 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 0.80 0.00 0.00 0.92 0.00 0.00 10 V 8.35 4.18 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 0.93 0.00 0.00 0.97 0.00 0.00 11 V 8.64 3.88 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 0.16 0.00 0.00 0.56 0.00 0.00 12 S 7.89 4.88 0.00 3.86 3.64 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 13 D 8.73 4.94 0.00 2.79 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 14 K 7.62 4.45 0.00 1.83 1.88 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.38 7.81 15 M 7.71 4.72 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 16 Q 8.59 4.06 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.53 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 17 K 9.10 4.14 0.00 2.05 1.98 0.00 1.70 0.00 0.00 1.87 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.48 7.81 18 T 7.70 5.28 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 1.30 0.00 0.00 19 V 8.82 4.72 2.07 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 0.86 0.00 0.00 0.90 0.00 0.00 20 T 8.37 4.79 4.26 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 1.12 0.00 0.00 21 V 8.67 4.57 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 0.79 0.00 0.00 0.84 0.00 0.00 22 L 8.94 4.60 0.00 1.55 1.41 1.01 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 23 V 9.25 4.68 2.29 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 0.88 0.00 0.00 0.72 0.00 0.00 24 E 8.84 5.16 0.00 1.91 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 0.00 2.30 2.32 0.00 25 R 9.48 4.88 0.00 1.83 2.01 0.00 2.70 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 26 Q 8.41 5.39 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.89 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 27 F 8.01 4.80 0.00 3.16 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 P 0.00 4.67 0.00 2.02 2.05 0.00 3.83 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 29 H 8.92 4.75 0.00 3.03 3.20 0.00 5.61 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.31 0.00 2.10 2.16 0.00 3.56 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.95 0.00 31 L 7.48 4.50 0.00 1.30 1.07 0.87 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.11 4.92 0.00 2.72 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 33 G 7.77 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 34 K 6.95 4.74 0.00 1.79 1.65 0.00 1.75 0.00 0.00 1.58 0.00 0.00 2.68 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.47 7.81 35 V 8.48 3.96 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 0.92 0.00 0.00 36 I 8.52 4.59 1.72 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 0.30 0.00 0.82 0.00 0.00 37 K 8.57 4.89 0.00 1.68 1.81 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.78 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.42 7.81 38 R 9.16 4.99 0.00 2.15 1.87 0.00 3.41 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 39 S 8.37 5.14 0.00 4.06 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 40 K 9.08 4.71 0.00 1.78 1.66 0.00 0.68 0.00 0.00 0.85 0.00 0.00 2.70 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.94 1.19 7.81 41 K 8.47 5.09 0.00 1.61 1.65 0.00 1.66 0.00 0.00 1.84 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.47 7.81 42 Y 9.12 4.56 0.00 2.55 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 0.00 0.00 0.00 0.00 43 L 8.59 4.93 0.00 1.68 1.64 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 44 A 9.61 5.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 H 9.38 4.49 0.00 3.27 3.24 0.00 5.72 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.84 5.13 0.00 2.83 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 0.00 0.00 0.00 0.00 47 P 0.00 4.50 0.00 2.20 2.07 0.00 3.70 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.88 0.00 48 E 8.25 4.53 0.00 1.94 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 2.20 2.23 0.00 49 E 8.38 4.02 0.00 2.05 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 2.30 2.39 0.00 50 K 7.83 4.02 0.00 1.62 1.81 0.00 1.28 0.00 0.00 1.59 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 0.56 7.81 51 Y 8.25 4.47 0.00 3.30 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 52 K 8.53 4.51 0.00 1.88 1.86 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.83 1.51 7.81 53 L 8.23 4.16 0.00 1.62 1.63 1.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.61 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 55 D 7.96 4.85 0.00 2.72 2.71 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 56 V 8.37 4.37 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 0.93 0.00 0.00 0.93 0.00 0.00 57 V 9.09 4.84 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 0.60 0.00 0.00 0.92 0.00 0.00 58 E 8.71 5.17 0.00 1.89 1.79 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 2.20 2.23 0.00 59 I 8.95 5.01 1.79 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.81 1.20 0.00 0.00 60 I 8.40 4.73 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.56 0.93 0.00 0.00 61 E 9.00 2.93 0.00 1.85 1.73 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 2.11 1.95 0.00 62 S 7.38 4.70 0.00 3.78 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 63 R 8.28 3.95 0.00 1.73 1.80 0.00 3.41 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 64 P 0.00 4.21 0.00 2.07 2.02 0.00 3.69 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 65 I 7.94 4.16 1.83 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 1.31 0.48 0.66 0.00 0.00 66 S 7.67 4.54 0.00 3.94 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 67 K 8.66 3.93 0.00 1.73 1.80 0.00 1.90 0.00 0.00 1.63 0.00 0.00 2.78 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.48 7.81 68 R 8.74 3.84 0.00 1.96 2.04 0.00 3.26 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 69 K 8.30 4.55 0.00 1.86 1.86 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.61 7.81 70 R 8.24 4.89 0.00 1.93 1.83 0.00 3.27 0.00 0.00 3.39 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 71 F 7.99 5.02 0.00 2.92 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 72 R 8.75 4.88 0.00 1.79 1.84 0.00 3.16 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 73 V 7.98 3.39 1.75 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 -0.54 0.00 0.00 0.78 0.00 0.00 74 L 9.14 4.12 0.00 1.61 1.52 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.66 4.98 0.00 1.93 2.02 0.00 3.20 0.00 0.00 3.24 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.48 0.00 76 L 8.61 4.73 0.00 1.91 1.69 1.09 0.85 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 77 V 8.37 4.42 2.19 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 0.86 0.00 0.00 0.93 0.00 0.00 78 E 7.83 5.04 0.00 2.17 2.07 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 2.11 2.10 0.00 79 S 8.75 4.52 0.00 3.86 3.83 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 0.00 0.00 0.00 80 G 8.56 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 81 R 8.10 4.70 0.00 2.03 1.96 0.00 3.34 0.00 0.00 3.17 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 82 M 7.87 4.41 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.55 0.00 83 D 7.95 4.43 0.00 2.88 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 84 L 7.77 4.21 0.00 1.68 1.76 0.93 1.13 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 85 V 7.78 3.70 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 1.12 0.00 0.00 0.99 0.00 0.00 86 E 8.12 3.95 0.00 2.20 1.98 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 2.58 2.51 0.00 87 K 7.68 3.86 0.00 2.00 1.92 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.75 1.65 7.81 88 Y 8.17 4.00 0.00 3.09 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 89 L 8.35 3.76 0.00 2.03 1.71 1.01 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 90 I 8.22 3.64 1.80 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 1.58 0.95 0.91 0.00 0.00 91 R 7.27 3.62 0.00 1.85 1.81 0.00 3.26 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.53 0.00 92 R 7.50 3.30 0.00 1.49 1.59 0.00 3.06 0.00 0.00 3.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 93 Q 8.10 3.94 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 94 N 8.08 4.44 0.00 2.82 2.78 0.00 0.00 6.87 8.12 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 95 Y 8.00 4.60 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 96 E 7.97 4.05 0.00 2.07 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 2.35 2.36 0.00 97 S 7.66 4.29 0.00 4.08 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 98 L 7.70 4.44 0.00 1.77 1.77 1.05 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.90 4.67 0.00 3.94 3.77 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 0.00 0.00 0.00 100 K 8.43 4.22 0.00 1.74 1.79 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.33 7.81 *101 R 8.06 4.14 0.00 1.57 1.74 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.