NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 R 4.2546 8.2393 120.8568 55.7144 31.9176 176.1392 20 P 3.9850 0.0000 0.0000 61.2129 31.9106 170.5208 21 V 3.6795 8.4511 120.2394 63.5459 33.1318 175.5518 22 E 5.1413 8.7438 127.7878 54.4175 33.4349 174.9819 23 L 4.5491 8.3357 125.2893 53.0414 42.4078 176.3121 24 R 4.3163 8.3404 124.5154 54.4255 31.1515 174.7616 25 P 4.5424 0.0000 0.0000 64.1910 31.8462 175.5855 26 D 4.2621 8.6104 118.2067 55.1178 37.9168 174.3583 27 F 4.3965 7.3834 112.5361 56.9302 38.4641 175.7021 28 S 4.5234 10.2743 119.8965 57.4086 65.4577 175.2254 29 L 4.0806 8.3257 122.7982 58.1723 41.5219 178.2451 30 D 4.3380 8.0450 116.9573 57.4749 41.3397 177.2890 31 D 4.5160 7.7818 117.5174 57.4164 41.0925 178.5834 32 A 3.9560 7.9445 120.7900 54.8788 18.3065 180.6632 33 K 4.0039 7.5484 113.9358 57.2859 31.9816 179.1384 *35 V 3.9334 7.7437 121.2053 63.0549 33.4643 177.4946 36 I 3.3842 8.1819 120.6688 64.3381 36.7567 178.5280 37 R 4.1065 8.2134 118.6616 59.3701 29.9811 178.7712 38 A 4.0399 8.1013 119.9682 55.3936 18.2033 179.7582 39 V 3.5846 7.8603 116.5336 66.2180 31.5904 177.8768 40 Y 4.4114 7.9463 116.5041 61.2122 37.6510 178.4339 41 R 4.0050 8.3686 119.7191 59.6355 29.7800 178.3661 42 Q 4.0555 8.3051 119.1228 59.2423 28.9539 177.9711 43 V 3.9794 8.0697 117.8654 64.6783 31.2537 176.8766 44 L 4.8004 8.2190 117.6684 53.5384 41.9080 176.6115 45 G 3.8460 8.0139 104.8234 47.5303 0.0000 174.2625 46 N 4.1409 9.1252 113.0478 54.0933 36.3469 176.1238 47 D 4.6066 7.7334 111.5337 52.0685 43.0297 173.7943 48 Y 4.0516 8.6494 128.0375 57.3995 40.1252 175.5508 49 I 4.2397 7.1436 122.8869 60.5663 37.4751 176.1048 *51 D 4.6020 8.5900 114.4700 54.1064 42.7479 177.7780 52 S 4.3192 7.9722 112.1073 60.4379 63.3982 174.9102 53 E 4.1180 7.9115 119.3517 57.9378 29.7559 177.2312 54 R 3.8772 7.1054 116.2409 56.6651 31.0091 177.7951 55 L 4.6067 8.6536 122.3687 53.1844 38.9876 177.5836 56 K 4.1241 8.1013 122.6012 59.2248 32.6047 178.4653 57 G 3.8306 8.3004 105.2787 47.9888 0.0000 175.0780 58 A 4.1309 8.1159 123.1333 54.8947 18.4591 179.0861 59 E 3.6047 9.0278 117.3336 59.7740 29.5873 179.8130 60 S 4.0684 8.7711 113.1046 61.4458 62.6402 176.1086 61 L 4.0392 8.0167 121.6986 57.6352 41.1647 179.3942 62 L 4.0287 7.8039 120.2648 58.5777 41.8322 179.1777 63 T 3.9803 7.7553 114.3437 66.7475 68.3683 176.0325 64 N 4.6329 8.1253 117.9976 54.8412 38.6345 176.2308 65 G 4.3199 7.7539 107.1954 45.5978 0.0000 174.6707 66 S 4.3304 8.0151 117.5496 60.1271 63.0670 174.5673 67 I 4.6475 7.4185 111.1318 58.3960 40.3825 175.4537 68 S 4.5545 8.2035 116.5660 57.1538 65.6821 175.2145 69 V 3.5559 8.2280 121.2039 66.4020 31.0859 177.7896 70 R 4.0036 8.3188 118.3637 59.8111 29.9328 178.3671 71 E 3.9949 8.3249 118.1056 59.0664 29.3915 179.1622 72 F 4.1582 8.4019 121.2467 61.0457 39.3756 177.3174 73 V 3.4242 8.2653 118.3673 65.9683 31.4219 177.7543 74 R 3.7087 7.9213 118.3357 59.7863 29.6060 178.3969 75 T 3.7364 7.4638 113.9636 66.7299 68.8920 176.3865 76 V 3.5845 7.3996 119.6923 65.9259 31.2974 177.9277 77 A 3.3327 7.8866 119.3985 53.8463 18.1899 178.6609 78 K 4.5510 7.4523 114.8142 55.5278 33.0287 176.9356 79 S 4.5216 7.2093 115.0665 57.3922 64.1413 175.1568 80 E 4.0017 8.6804 120.3980 59.2399 28.5109 179.5223 81 L 3.8465 7.7860 120.3329 58.1466 42.2392 178.1982 82 Y 3.7241 7.8391 119.0325 60.5536 38.8257 177.8127 83 K 3.6968 8.1092 119.4309 59.2984 31.8152 179.5499 84 K 4.0609 7.9210 118.0623 59.3002 31.9997 179.2495 85 K 3.8132 7.0717 117.2287 58.1183 31.9669 177.9094 86 F 4.9341 7.5730 114.7580 56.8753 41.4111 175.6328 87 L 4.3460 7.6837 120.9783 56.8163 42.7615 177.2683 88 Y 4.5846 7.5536 114.4546 60.2374 38.0955 175.9100 89 N 5.1276 7.8642 116.6513 52.1411 39.4477 173.9840 90 N 4.7334 7.7047 113.0741 50.3780 43.1193 175.4744 91 F 4.5144 7.3833 116.6322 56.7805 40.1971 176.3152 92 Q 3.8661 8.8044 120.8969 59.7079 28.6983 178.7666 93 T 4.0083 8.1623 116.4103 66.7421 68.5074 176.2940 94 R 3.8888 8.0998 120.0521 59.1616 30.1369 178.2395 95 V 3.5509 7.5719 118.1527 66.1936 31.3621 177.9420 96 I 3.7789 8.2248 119.5821 64.5251 37.0051 177.8692 97 E 4.0000 7.9286 119.1991 59.8050 29.3751 179.5984 98 L 3.6842 7.8970 118.4518 57.7055 41.5917 179.3665 99 N 4.1369 8.2469 117.9846 55.8422 38.3998 176.7977 100 Y 3.7401 7.9178 118.2051 60.9196 37.8494 178.9430 101 K 4.1315 7.9805 121.4687 59.3954 32.1549 178.6612 102 H 4.2425 8.1058 115.2984 58.7777 28.7794 177.2301 103 L 4.3781 8.2353 119.0014 55.7007 42.1185 177.5120 104 L 4.6287 7.8099 115.9875 53.7097 43.0012 177.0518 105 G 3.7989 8.7635 106.9967 45.7405 0.0000 173.2749 106 R 3.9256 7.1274 114.9531 54.6390 32.1771 173.2753 107 A 4.6036 7.7719 120.0259 49.5974 20.8813 175.1418 108 P 3.6074 0.0000 0.0000 62.5498 31.8370 177.3272 109 F 4.6234 9.1848 122.0231 60.0894 38.8906 175.8056 110 S 4.6918 7.5003 112.8261 55.4746 65.8881 174.3566 111 E 3.9615 8.8806 121.3432 59.4746 29.1490 178.4494 112 D 4.4480 7.6386 119.1142 57.7081 40.8373 178.8230 113 E 4.0721 7.9010 117.9621 59.3853 29.4114 179.7251 114 V 3.7591 7.7717 117.7164 66.1340 31.7560 177.7700 115 I 3.7298 8.1498 119.9848 64.4418 36.9824 177.7857 116 F 4.1040 8.4707 121.3179 62.0767 39.1496 177.0676 117 H 3.9462 8.3555 115.3517 58.3218 28.4930 177.2728 118 L 4.0255 8.6585 122.7574 58.7983 41.7790 179.0916 119 D 4.3737 8.2394 118.4165 56.9858 40.7027 178.5085 120 L 3.7121 7.6681 120.9959 58.2729 42.1656 178.4834 121 Y 4.2482 8.4221 119.8619 60.6527 38.4898 177.7353 122 E 3.8480 8.1265 118.6853 59.3191 29.6661 178.6805 123 N 4.4893 8.1710 115.1755 55.6004 39.1385 176.8716 124 Q 4.4077 8.6017 116.5067 54.5801 30.2123 176.5737 125 G 3.8252 7.4816 105.6074 44.8321 0.0000 174.4364 126 F 4.3809 8.7988 119.4036 61.4486 39.2635 176.5478 127 D 4.2701 8.4051 117.8059 57.4794 40.4624 178.6261 128 A 3.9034 7.8573 119.2565 54.9625 18.6437 178.5797 129 D 4.3143 7.9536 116.4510 57.6123 41.1998 178.2956 130 I 3.6923 7.4549 120.2401 64.9153 37.0841 177.8187 131 D 4.3128 8.1878 119.6595 57.6437 40.3530 179.4698 132 S 4.0753 7.9607 114.2535 61.4899 63.1414 175.9379 133 Y 4.0830 7.4350 120.4451 60.9752 37.4157 178.6225 134 I 2.9605 7.5586 118.7457 63.8041 37.4071 176.7328 135 D 4.4938 8.1765 118.6918 55.0659 41.2746 177.5580 136 S 4.2967 7.5769 115.8688 57.9461 64.8672 175.1609 137 V 3.5550 8.3439 122.9808 66.2320 31.2529 177.6863 138 E 3.8403 8.2825 118.4979 59.8157 29.2571 178.2599 139 Y 3.7793 8.2676 119.3269 60.4437 38.5181 177.4406 140 Q 4.0971 8.3935 120.6423 59.4886 28.9871 178.3333 141 E 4.0297 8.1978 118.4735 59.1432 29.5199 178.8038 142 N 4.1558 7.5571 115.6544 55.4420 38.4355 176.6680 143 F 4.9066 7.5893 117.7205 58.1710 41.3755 176.4482 144 G 4.3941 8.0358 105.4667 46.2407 0.0000 173.4308 145 E 4.2354 8.7830 116.6658 58.6785 30.1085 177.4125 146 N 5.1613 8.2946 113.2067 52.6331 40.8678 173.7158 147 I 4.9942 7.5843 118.9942 59.3578 39.8499 175.4154 148 V 3.8834 8.5574 127.1233 61.3702 32.0184 174.1346 149 P 2.0000 0.0000 0.0000 62.6044 31.7105 175.0090 150 Y 4.7745 6.9785 118.7929 54.6751 41.0775 174.0492 151 Y 3.9238 8.6517 122.2221 57.5656 38.7262 175.4748 152 R 4.3870 7.9139 128.1773 55.5335 30.4226 176.8444 153 F 4.5857 9.0444 121.1569 58.0297 39.5039 175.2674 154 N 5.0013 7.8484 119.1819 52.3980 41.7768 173.6176 155 N 4.6384 8.7898 121.8361 53.5149 39.4083 174.1414 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 19 R 8.24 4.25 0.00 1.76 1.96 0.00 3.18 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 20 P 0.00 3.98 0.00 2.29 1.56 0.00 3.78 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 21 V 8.45 3.68 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 1.00 0.00 0.00 0.93 0.00 0.00 22 E 8.74 5.14 0.00 2.14 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 2.19 2.46 0.00 23 L 8.34 4.55 0.00 1.48 1.42 0.39 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.34 4.32 0.00 1.95 1.88 0.00 3.37 0.00 0.00 3.42 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.60 0.00 25 P 0.00 4.54 0.00 2.20 2.11 0.00 3.93 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 26 D 8.61 4.26 0.00 2.83 2.77 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 27 F 7.38 4.40 0.00 3.14 3.24 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 28 S 10.27 4.52 0.00 3.91 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 29 L 8.33 4.08 0.00 1.76 1.73 0.94 1.06 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 30 D 8.05 4.34 0.00 2.71 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 31 D 7.78 4.52 0.00 3.03 2.79 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 32 A 7.94 3.96 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 33 K 7.55 4.00 0.00 1.92 1.86 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.63 7.81 *35 V 7.74 3.93 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 0.84 0.00 0.00 0.89 0.00 0.00 36 I 8.18 3.38 1.91 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.47 0.66 0.00 0.00 37 R 8.21 4.11 0.00 1.94 2.19 0.00 3.23 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.04 0.00 38 A 8.10 4.04 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 39 V 7.86 3.58 2.28 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 1.14 0.00 0.00 1.02 0.00 0.00 40 Y 7.95 4.41 0.00 3.21 2.77 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 41 R 8.37 4.00 0.00 2.24 2.19 0.00 3.20 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.79 0.00 42 Q 8.31 4.06 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.54 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 43 V 8.07 3.98 2.27 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 1.04 0.00 0.00 0.97 0.00 0.00 44 L 8.22 4.80 0.00 1.92 1.62 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.01 3.85 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 0.00 0.00 0.00 46 N 9.13 4.14 0.00 2.79 2.92 0.00 0.00 6.51 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 47 D 7.73 4.61 0.00 2.76 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.65 4.05 0.00 2.94 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 49 I 7.14 4.24 1.79 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.45 0.73 0.00 0.00 *51 D 8.59 4.60 0.00 2.82 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 52 S 7.97 4.32 0.00 4.00 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 53 E 7.91 4.12 0.00 1.80 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 2.22 2.24 0.00 54 R 7.11 3.88 0.00 1.97 2.20 0.00 3.11 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.37 0.00 55 L 8.65 4.61 0.00 1.85 1.69 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.10 4.12 0.00 1.81 1.91 0.00 1.76 0.00 0.00 1.90 0.00 0.00 2.99 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.59 1.49 7.81 57 G 8.30 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 0.00 0.00 0.00 58 A 8.12 4.13 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 9.03 3.60 0.00 2.23 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 2.43 2.76 0.00 60 S 8.77 4.07 0.00 3.87 4.15 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 61 L 8.02 4.04 0.00 1.99 1.75 1.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.80 4.03 0.00 1.46 1.45 0.81 0.25 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 63 T 7.76 3.98 4.42 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 0.00 0.00 0.00 1.29 0.00 0.00 64 N 8.13 4.63 0.00 2.87 2.91 0.00 0.00 7.28 7.16 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 65 G 7.75 4.32 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 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.02 4.33 0.00 4.06 3.96 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 67 I 7.42 4.65 1.92 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.71 0.95 0.00 0.00 68 S 8.20 4.55 0.00 4.28 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 69 V 8.23 3.56 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 1.15 0.00 0.00 0.87 0.00 0.00 70 R 8.32 4.00 0.00 2.26 1.98 0.00 3.09 0.00 0.00 3.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 71 E 8.32 3.99 0.00 2.08 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 2.35 2.47 0.00 72 F 8.40 4.16 0.00 3.04 3.20 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 73 V 8.27 3.42 2.28 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 1.02 0.00 0.00 1.03 0.00 0.00 74 R 7.92 3.71 0.00 1.78 1.99 0.00 3.22 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 75 T 7.46 3.74 4.13 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 1.14 0.00 0.00 76 V 7.40 3.58 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 1.11 0.00 0.00 0.33 0.00 0.00 77 A 7.89 3.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 K 7.45 4.55 0.00 1.81 1.89 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.30 7.81 79 S 7.21 4.52 0.00 4.05 4.13 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 80 E 8.68 4.00 0.00 2.01 2.06 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 2.44 2.35 0.00 81 L 7.79 3.85 0.00 1.71 1.63 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 7.84 3.72 0.00 3.24 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 83 K 8.11 3.70 0.00 1.50 0.78 0.00 0.90 0.00 0.00 0.61 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.92 1.54 7.81 84 K 7.92 4.06 0.00 1.79 1.79 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.16 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.59 1.63 7.81 85 K 7.07 3.81 0.00 0.79 0.74 0.00 1.22 0.00 0.00 1.26 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.11 1.34 7.81 86 F 7.57 4.93 0.00 2.60 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 87 L 7.68 4.35 0.00 1.34 1.20 0.90 0.00 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 88 Y 7.55 4.58 0.00 2.96 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 N 7.86 5.13 0.00 2.65 2.78 0.00 0.00 6.69 8.00 0.00 0.00 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 N 7.70 4.73 0.00 2.68 2.35 0.00 0.00 7.19 7.45 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 91 F 7.38 4.51 0.00 3.23 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 92 Q 8.80 3.87 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.91 0.00 0.00 0.00 0.00 0.00 2.04 2.37 0.00 93 T 8.16 4.01 4.46 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 1.39 0.00 0.00 94 R 8.10 3.89 0.00 1.62 1.61 0.00 3.18 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 95 V 7.57 3.55 2.21 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 1.19 0.00 0.00 0.91 0.00 0.00 96 I 8.22 3.78 2.13 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.71 1.26 0.00 0.00 97 E 7.93 4.00 0.00 2.16 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 2.33 2.54 0.00 98 L 7.90 3.68 0.00 1.66 1.19 0.68 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 99 N 8.25 4.14 0.00 2.06 1.42 0.00 0.00 6.59 7.02 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 0.00 100 Y 7.92 3.74 0.00 3.07 3.12 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 0.00 101 K 7.98 4.13 0.00 1.83 1.76 0.00 1.54 0.00 0.00 1.44 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.47 7.81 102 H 8.11 4.24 0.00 3.12 3.38 0.00 5.71 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 0.00 103 L 8.24 4.38 0.00 1.46 1.77 0.59 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.81 4.63 0.00 1.80 1.71 0.86 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.76 3.80 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 0.00 106 R 7.13 3.93 0.00 1.57 1.61 0.00 2.21 0.00 0.00 3.09 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.35 0.00 107 A 7.77 4.60 1.21 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 0.00 0.00 108 P 0.00 3.61 0.00 1.82 1.50 0.00 3.52 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.57 0.00 109 F 9.18 4.62 0.00 3.08 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 0.00 110 S 7.50 4.69 0.00 3.98 3.96 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 0.00 111 E 8.88 3.96 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 2.41 2.44 0.00 112 D 7.64 4.45 0.00 2.77 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 0.00 113 E 7.90 4.07 0.00 2.14 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 2.38 2.36 0.00 114 V 7.77 3.76 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 1.16 0.00 0.00 0.95 0.00 0.00 115 I 8.15 3.73 2.12 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.51 0.98 0.00 0.00 116 F 8.47 4.10 0.00 3.06 3.30 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 0.00 117 H 8.36 3.95 0.00 3.39 3.53 0.00 5.70 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 8.66 4.03 0.00 1.94 1.92 1.01 1.42 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 0.00 119 D 8.24 4.37 0.00 2.63 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 0.00 120 L 7.67 3.71 0.00 1.14 1.50 0.75 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 121 Y 8.42 4.25 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 0.00 122 E 8.13 3.85 0.00 2.14 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 2.73 2.56 0.00 123 N 8.17 4.49 0.00 2.60 2.81 0.00 0.00 7.01 8.16 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 0.00 124 Q 8.60 4.41 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.45 0.00 0.00 0.00 0.00 0.00 2.23 2.42 0.00 125 G 7.48 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 0.00 0.00 0.00 126 F 8.80 4.38 0.00 3.53 3.19 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 0.00 127 D 8.41 4.27 0.00 2.77 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 0.00 128 A 7.86 3.90 1.33 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 0.00 0.00 129 D 7.95 4.31 0.00 2.91 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 0.00 130 I 7.45 3.69 1.71 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 -0.11 0.65 0.00 0.00 131 D 8.19 4.31 0.00 2.80 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 0.00 132 S 7.96 4.08 0.00 3.96 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 0.00 133 Y 7.43 4.08 0.00 2.89 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 0.00 134 I 7.56 2.96 1.62 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.34 0.35 0.00 0.00 135 D 8.18 4.49 0.00 2.64 2.66 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 0.00 136 S 7.58 4.30 0.00 4.02 4.15 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 0.00 137 V 8.34 3.56 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 1.10 0.00 0.00 0.92 0.00 0.00 138 E 8.28 3.84 0.00 2.08 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 2.32 2.29 0.00 139 Y 8.27 3.78 0.00 3.27 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 0.00 140 Q 8.39 4.10 0.00 2.38 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 141 E 8.20 4.03 0.00 1.86 1.92 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 2.51 2.45 0.00 142 N 7.56 4.16 0.00 1.53 1.42 0.00 0.00 6.84 7.61 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 0.00 143 F 7.59 4.91 0.00 2.52 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 0.00 144 G 8.04 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 0.00 0.00 0.00 0.00 145 E 8.78 4.24 0.00 2.07 2.06 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 2.45 2.31 0.00 146 N 8.29 5.16 0.00 2.64 2.91 0.00 0.00 6.99 7.46 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 0.00 147 I 7.58 4.99 2.25 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.68 1.18 0.00 0.00 148 V 8.56 3.88 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 0.74 0.00 0.00 0.99 0.00 0.00 149 P 0.00 2.00 0.00 1.69 1.23 0.00 3.51 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 1.91 1.44 0.00 150 Y 6.98 4.77 0.00 3.13 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 0.00 151 Y 8.65 3.92 0.00 2.83 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 0.00 152 R 7.91 4.39 0.00 1.62 1.97 0.00 3.08 0.00 0.00 2.86 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.28 0.00 153 F 9.04 4.59 0.00 3.15 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 0.00 154 N 7.85 5.00 0.00 2.74 2.75 0.00 0.00 6.85 7.79 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 0.00 155 N 8.79 4.64 0.00 2.85 2.71 0.00 0.00 6.95 7.56 0.00 0.00 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.