NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4172 8.5298 119.6764 55.3497 33.2834 174.8551 2 N 4.7861 7.6083 122.1988 49.0833 42.0407 173.5548 3 I 3.6383 9.2661 121.2567 64.8342 38.1969 178.2152 4 F 4.0818 8.3496 117.5381 60.6486 38.8050 176.9412 5 E 3.9714 9.6903 118.2965 60.5762 29.3971 178.7402 6 M 3.7659 8.0796 116.9456 59.5065 32.0671 177.9754 7 L 3.8684 8.4507 118.5253 58.0352 41.7620 179.8321 8 R 4.0183 8.1892 117.6494 59.1479 30.0252 178.2055 9 I 3.9840 7.9463 118.8019 63.2203 37.2779 176.8690 10 D 4.8433 7.9614 117.5663 54.2943 41.7095 176.7097 11 E 4.6997 8.4156 118.2939 55.2378 31.0560 177.9551 12 G 3.6926 7.7201 111.1865 45.4172 0.0000 176.0488 13 L 5.0914 7.5754 129.1163 54.5900 44.3875 172.6462 14 R 4.7292 8.6781 124.9859 54.6982 33.6075 175.9836 15 L 4.0764 8.7940 122.0891 55.2683 43.3783 176.0636 16 K 5.1047 7.9272 118.6390 53.9983 34.8911 175.7811 17 I 4.2625 7.8893 125.6222 62.3193 38.3626 175.1968 18 Y 4.7666 8.8297 124.4810 55.9423 41.8426 174.4843 19 K 4.3708 9.0092 126.5449 57.0709 34.1158 176.1221 20 D 5.3102 8.8472 122.3957 53.0999 43.9975 176.1195 21 T 3.8874 8.5678 114.5072 67.0376 68.3561 175.6071 22 E 3.7705 7.5112 118.7740 56.6754 29.6962 176.9049 23 G 3.9286 7.3171 104.3040 45.5365 0.0000 173.6994 24 Y 4.4333 7.8120 118.1266 58.3608 39.1664 174.5388 25 Y 5.8941 9.0996 120.5103 55.7986 40.7609 175.0121 26 T 5.5035 8.6571 113.5694 59.6177 72.6065 172.7110 27 I 4.8095 8.6060 121.6052 59.6958 41.9010 178.7372 28 G 3.8169 9.5912 115.1103 46.9688 0.0000 176.3782 29 I 4.5397 8.4097 122.1695 60.6269 39.4776 177.3128 30 G 4.0714 8.1066 107.8808 47.2220 0.0000 172.4727 31 Y 4.4871 7.7547 126.6735 56.3435 42.3456 174.1918 32 T 4.6589 7.2524 122.4567 61.7785 71.6200 174.3929 *44 S 4.2364 8.1151 117.2431 57.9121 62.2288 173.8082 45 L 2.9313 7.9815 128.1553 57.2461 41.9422 177.9353 46 N 4.2789 7.9990 116.0912 55.9807 38.3887 176.9575 47 A 4.0223 7.7106 120.6129 54.5743 18.5627 179.3811 48 A 4.0840 7.2667 119.5044 54.7052 19.0515 179.7207 49 K 4.3958 7.4951 115.8201 56.1888 32.3870 178.1385 50 S 4.5753 7.5872 107.5680 60.2659 65.6921 173.6071 51 E 4.5336 8.6831 118.6056 57.6393 32.0366 177.8047 52 L 3.6422 7.9835 119.5251 58.2955 41.9358 178.6923 53 D 5.1566 8.3590 120.0629 56.6443 40.5607 178.6130 54 K 3.9902 7.8230 117.9686 60.5240 33.0796 178.1565 55 A 3.9419 8.7675 121.7035 54.3360 18.1124 179.0615 56 I 3.8064 7.5534 119.4984 64.7093 38.0121 177.4344 57 G 3.3313 7.9490 106.8939 44.9745 0.0000 173.0827 58 R 4.1752 7.7451 116.7658 56.0199 33.1175 171.6836 59 N 5.5955 8.6393 116.0938 52.3257 39.7488 174.3336 60 T 4.5299 8.2798 117.4529 60.6508 68.7326 172.9538 61 N 4.1415 9.5012 114.8179 54.2824 36.2763 175.2760 62 G 3.9558 8.4672 106.2420 44.8038 0.0000 173.5722 63 V 5.3911 7.4589 118.9015 60.6875 33.5899 174.5366 64 I 4.9457 8.0194 118.6769 59.7259 41.2958 173.9707 65 T 4.4740 9.0984 113.7953 60.1665 70.5076 175.9640 66 K 3.8838 8.7548 121.2262 60.5113 31.6697 178.5202 67 D 4.3315 8.0339 119.3300 57.4672 40.8863 178.3706 68 E 4.0527 8.3151 118.6226 59.1787 29.5575 179.4479 69 A 3.9289 8.3521 121.2789 55.4033 18.5157 179.6363 70 E 4.0681 8.4555 117.3646 59.1860 29.5951 179.0758 71 K 3.8598 9.2217 120.6459 59.8960 32.0974 178.4322 72 L 4.0937 8.0082 118.8024 57.8033 41.4861 178.9622 73 F 4.4653 8.2248 120.2554 61.7712 39.3577 176.3958 74 N 4.5006 9.1795 116.6580 57.5147 38.4298 176.2066 75 Q 4.0148 8.0299 117.9606 59.5949 29.0733 178.0845 76 D 4.1388 9.0608 119.3082 57.7030 40.8788 179.4963 77 V 3.4302 8.2130 117.7330 66.5798 31.8724 178.1004 78 D 4.3573 8.2683 118.1188 57.4105 40.5960 179.1129 79 A 3.8677 8.5379 121.1313 54.9394 18.2054 179.1375 80 A 3.8025 7.8364 117.2858 56.5428 18.6627 179.3070 81 V 2.9634 7.9244 113.5187 66.6781 31.4565 177.5869 82 R 3.9423 8.5379 117.7908 59.7198 30.0547 178.6433 83 G 3.7136 8.1075 102.6898 46.1633 0.0000 174.7429 84 I 3.9973 7.9430 122.7715 62.9810 37.6018 177.3989 85 L 4.2132 7.8311 119.2010 56.2045 41.9598 178.6636 86 R 4.1144 7.9060 116.0298 56.8259 30.4034 175.7184 87 N 4.8515 7.0081 115.7738 51.9725 40.7163 174.7047 88 A 4.4789 8.3307 124.0835 52.9019 20.0548 178.8811 89 K 4.1142 9.1888 118.3767 57.8228 32.5903 177.8866 90 L 4.4108 7.8295 118.1037 56.5747 42.6530 178.1018 91 K 3.9189 7.5169 119.8931 59.5557 31.8582 175.8558 92 P 4.3178 0.0000 0.0000 66.7033 30.6349 177.7029 93 V 3.9318 7.7471 119.1181 64.9246 30.8748 176.7449 94 Y 4.1636 8.8443 119.1026 61.3232 38.2850 177.8294 95 D 4.8450 8.6143 121.0812 57.1838 41.2336 178.5213 96 S 4.5077 7.5592 111.2459 57.7511 63.8226 173.9427 97 L 4.6518 8.3065 123.2625 53.4958 42.8194 175.9939 98 D 4.6466 8.1025 120.3187 51.9413 42.0346 176.7467 99 A 4.0137 8.5475 119.7065 55.6340 18.0135 179.9586 100 V 2.7140 7.4447 115.7514 65.9905 31.6520 178.3475 101 R 3.5536 8.7986 118.5432 59.0585 29.7730 179.2196 102 R 3.9122 9.1425 118.1305 59.2324 29.9234 178.9241 103 A 3.9351 7.9627 120.2396 55.1483 18.4028 179.5664 104 A 3.1839 7.3600 119.0257 54.7300 18.1148 179.7223 105 L 4.1911 7.5959 119.2563 58.5789 42.2768 179.2132 106 I 3.6862 7.9321 119.9722 64.3837 36.7673 177.9469 107 N 4.3320 8.7925 118.2118 56.5439 38.9304 176.7180 108 M 4.0733 7.7583 120.1733 58.3052 32.0676 178.5841 109 V 3.4808 8.0102 118.3652 65.9382 31.4105 177.5787 110 F 3.7940 8.0024 119.5741 61.4579 39.1507 176.8361 111 Q 4.3554 8.3486 117.7859 59.0151 29.2446 176.3964 112 M 4.4207 8.0189 115.1352 54.2237 34.2172 176.9822 113 G 4.0483 8.8120 105.7124 45.5128 0.0000 174.1663 114 E 3.8096 8.7515 119.0697 59.9781 28.9493 179.8286 115 T 3.9178 7.3521 115.0834 66.0883 68.6778 176.6445 116 G 3.6704 7.9212 107.1428 47.6788 0.0000 175.6896 117 V 2.8128 7.5721 120.0809 64.9704 31.3448 177.5853 118 A 4.2586 8.0430 119.8735 54.1117 18.2502 178.8612 119 G 3.9176 7.5683 103.1176 46.0155 0.0000 174.8521 120 F 4.7604 8.8055 122.9405 56.6528 36.9846 176.9228 121 T 3.8746 7.8512 112.9410 65.2824 68.7209 174.9609 122 N 4.2365 8.1554 119.3347 56.5414 38.8780 176.5426 123 S 4.1035 8.1584 115.1758 61.7017 62.9095 176.7657 124 L 4.0966 8.0954 121.5750 57.8336 41.3532 179.0103 125 R 3.9030 8.1609 118.7499 60.0795 29.8735 177.9886 126 M 4.1580 8.5235 117.6728 57.0069 31.8055 177.4913 127 L 4.6122 9.3787 117.3243 55.2056 42.8176 177.6840 128 Q 4.3183 7.5482 118.1879 58.0327 29.3484 177.4244 129 Q 4.0735 7.8038 115.7874 55.8369 29.2680 175.7796 130 K 2.5285 7.1634 117.0901 57.6244 29.6571 176.5623 131 R 4.1785 8.1763 113.8799 60.5377 30.9932 180.5537 132 W 4.4647 6.8565 115.7060 57.8144 29.8169 176.6669 133 D 4.5006 8.3449 117.3471 58.2942 40.7244 178.9705 134 E 3.9554 8.3354 118.1380 59.7028 29.4351 179.3453 135 A 4.1968 7.9886 119.1889 54.1912 18.4614 178.9664 136 A 4.1756 8.8212 119.8013 54.0084 18.3164 179.1103 137 V 4.0588 7.2518 115.9216 62.2970 32.8851 177.5204 138 N 4.4299 8.0127 118.2715 56.6516 38.8024 176.8180 139 L 4.1592 7.5514 118.7504 57.8093 41.7747 179.1049 140 A 4.1480 7.4318 116.9793 52.8583 19.2955 178.4196 141 K 4.2106 7.2790 117.9635 54.1663 32.1248 175.3656 142 S 4.6138 7.3844 119.9018 56.4496 65.8007 176.3732 143 R 4.7691 8.8193 123.7349 59.6061 29.9161 177.4823 144 W 4.3922 8.9281 126.9628 59.6789 30.4263 176.6978 145 Y 3.4940 8.5986 118.4157 61.0797 38.7721 178.8137 146 N 4.4306 8.5942 117.0578 56.1564 38.3669 176.8905 147 Q 4.0620 7.7515 119.4818 57.7178 30.6221 175.8739 148 T 4.5314 7.3852 113.7011 59.4560 67.6256 172.7939 149 P 3.6014 0.0000 0.0000 64.3968 31.3118 178.2424 150 N 4.2058 7.6778 115.8257 55.7829 38.8708 176.6967 151 R 4.1365 7.2287 115.9340 57.8998 30.3825 177.9429 152 A 3.2619 8.0966 121.2197 55.1175 18.1036 179.8618 153 K 4.0358 7.7902 116.6675 59.6219 32.0461 179.7006 154 R 3.8999 7.5906 117.5998 59.1501 30.1035 179.3212 155 V 3.8612 7.9657 119.9950 64.0231 30.9153 178.4235 156 I 4.1677 7.3688 120.0424 64.6141 37.4841 177.7014 157 T 4.0470 8.3185 116.9327 66.9721 67.7090 176.7267 158 T 3.6649 7.9202 117.4297 66.7791 68.3176 176.6579 159 F 4.1753 7.5314 117.5527 60.2249 38.9551 176.9505 160 R 4.1919 7.5531 116.0767 56.8980 30.2982 176.6625 161 T 4.1983 7.5385 106.8781 61.0466 70.6295 174.5607 162 G 3.5580 8.4976 108.8412 45.8072 0.0000 172.9547 163 T 4.4094 7.2151 106.7288 59.9734 71.9044 172.9283 164 W 4.8193 8.6140 120.7775 57.2090 29.0080 177.9419 165 D 4.6606 8.0715 116.6808 56.0265 39.9918 176.8939 166 A 4.5012 8.0557 121.1052 52.5605 19.7188 176.9179 167 Y 4.7579 8.8567 114.5309 55.5778 38.8790 175.5820 168 K 4.0272 7.8851 122.7933 57.9360 32.0305 174.7724 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 M 8.53 4.42 0.00 0.59 1.44 0.00 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.47 0.00 2 N 7.61 4.79 0.00 3.15 2.82 0.00 0.00 5.87 6.81 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 3 I 9.27 3.64 1.84 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.76 0.68 0.00 0.00 4 F 8.35 4.08 0.00 3.47 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 5 E 9.69 3.97 0.00 1.99 1.96 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 2.30 2.35 0.00 6 M 8.08 3.77 0.00 2.15 1.77 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.60 0.00 7 L 8.45 3.87 0.00 1.83 1.38 0.25 0.06 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 8 R 8.19 4.02 0.00 1.57 2.27 0.00 3.13 0.00 0.00 3.01 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 9 I 7.95 3.98 2.25 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.26 0.92 0.00 0.00 10 D 7.96 4.84 0.00 2.85 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 11 E 8.42 4.70 0.00 1.92 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 2.40 2.42 0.00 12 G 7.72 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 13 L 7.58 5.09 0.00 1.56 1.53 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.68 4.73 0.00 1.75 2.06 0.00 3.18 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.46 0.00 15 L 8.79 4.08 0.00 1.62 1.85 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.93 5.10 0.00 1.78 1.74 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.45 7.81 17 I 7.89 4.26 1.93 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 1.17 0.78 1.09 0.00 0.00 18 Y 8.83 4.77 0.00 3.25 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 19 K 9.01 4.37 0.00 1.23 1.98 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.61 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.37 7.81 20 D 8.85 5.31 0.00 2.78 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 21 T 8.57 3.89 4.14 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 1.13 0.00 0.00 22 E 7.51 3.77 0.00 1.21 1.12 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 1.76 1.47 0.00 23 G 7.32 3.93 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 0.00 24 Y 7.81 4.43 0.00 2.82 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 0.00 0.00 0.00 0.00 25 Y 9.10 5.89 0.00 2.88 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 26 T 8.66 5.50 4.54 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 1.36 0.00 0.00 27 I 8.61 4.81 1.82 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 1.30 0.36 1.05 0.00 0.00 28 G 9.59 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 29 I 8.41 4.54 1.96 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.56 0.85 0.00 0.00 30 G 8.11 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 31 Y 7.75 4.49 0.00 3.41 3.06 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 7.25 4.66 3.94 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 0.91 0.00 0.00 *44 S 8.12 4.24 0.00 3.94 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 45 L 7.98 2.93 0.00 1.51 1.52 0.65 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.00 4.28 0.00 2.73 2.81 0.00 0.00 7.05 7.54 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 47 A 7.71 4.02 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 48 A 7.27 4.08 1.23 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 0.00 0.00 49 K 7.50 4.40 0.00 1.79 1.85 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.54 1.32 7.81 50 S 7.59 4.58 0.00 3.97 3.93 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 51 E 8.68 4.53 0.00 2.19 1.96 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 2.23 2.38 0.00 52 L 7.98 3.64 0.00 1.72 1.64 0.77 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.36 5.16 0.00 2.72 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 54 K 7.82 3.99 0.00 1.92 1.94 0.00 2.01 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.74 7.81 55 A 8.77 3.94 1.28 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 0.00 0.00 0.00 56 I 7.55 3.81 1.97 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 1.38 0.80 0.92 0.00 0.00 57 G 7.95 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 0.00 0.00 0.00 58 R 7.75 4.18 0.00 1.96 2.05 0.00 2.75 0.00 0.00 3.08 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.35 0.00 59 N 8.64 5.60 0.00 2.67 2.75 0.00 0.00 7.04 7.70 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 60 T 8.28 4.53 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 1.19 0.00 0.00 61 N 9.50 4.14 0.00 2.83 2.83 0.00 0.00 7.27 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 62 G 8.47 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 0.00 0.00 0.00 63 V 7.46 5.39 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 0.86 0.00 0.00 0.94 0.00 0.00 64 I 8.02 4.95 1.91 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.76 0.86 0.00 0.00 65 T 9.10 4.47 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 1.25 0.00 0.00 66 K 8.75 3.88 0.00 2.01 2.11 0.00 1.38 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.60 7.81 67 D 8.03 4.33 0.00 2.78 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 68 E 8.32 4.05 0.00 2.14 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 2.32 0.00 69 A 8.35 3.93 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.46 4.07 0.00 2.21 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 2.21 2.47 0.00 71 K 9.22 3.86 0.00 1.85 2.05 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.56 7.81 72 L 8.01 4.09 0.00 2.20 1.87 0.75 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 73 F 8.22 4.47 0.00 3.17 3.43 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 0.00 0.00 0.00 0.00 74 N 9.18 4.50 0.00 3.11 3.03 0.00 0.00 7.33 6.97 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 75 Q 8.03 4.01 0.00 2.40 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.66 0.00 76 D 9.06 4.14 0.00 2.54 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 77 V 8.21 3.43 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 0.34 0.00 0.00 0.36 0.00 0.00 78 D 8.27 4.36 0.00 2.98 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 79 A 8.54 3.87 1.24 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 80 A 7.84 3.80 1.30 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 0.00 0.00 81 V 7.92 2.96 2.26 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 0.93 0.00 0.00 0.88 0.00 0.00 82 R 8.54 3.94 0.00 1.87 1.87 0.00 3.12 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 83 G 8.11 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 84 I 7.94 4.00 1.92 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.71 0.59 0.00 0.00 85 L 7.83 4.21 0.00 1.73 1.62 0.65 1.09 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 86 R 7.91 4.11 0.00 1.81 1.95 0.00 3.13 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 87 N 7.01 4.85 0.00 2.78 2.83 0.00 0.00 7.01 7.84 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 88 A 8.33 4.48 1.28 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 0.00 0.00 0.00 89 K 9.19 4.11 0.00 1.64 1.90 0.00 1.92 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.47 7.81 90 L 7.83 4.41 0.00 1.87 1.65 0.85 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.52 3.92 0.00 1.75 1.85 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.70 1.52 7.81 92 P 0.00 4.32 0.00 2.45 2.16 0.00 3.82 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.23 0.00 93 V 7.75 3.93 2.13 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 1.33 0.00 0.00 0.98 0.00 0.00 94 Y 8.84 4.16 0.00 3.04 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 95 D 8.61 4.84 0.00 2.73 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 96 S 7.56 4.51 0.00 4.04 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 97 L 8.31 4.65 0.00 1.67 1.69 1.09 1.31 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 98 D 8.10 4.65 0.00 2.81 2.83 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 99 A 8.55 4.01 1.35 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 0.00 0.00 0.00 0.00 0.00 100 V 7.44 2.71 1.63 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 0.23 0.00 0.00 -0.14 0.00 0.00 101 R 8.80 3.55 0.00 1.76 1.96 0.00 2.85 0.00 0.00 2.44 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.49 0.00 102 R 9.14 3.91 0.00 1.85 1.91 0.00 2.28 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.44 0.00 103 A 7.96 3.94 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 0.00 104 A 7.36 3.18 0.47 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 0.00 0.00 0.00 0.00 0.00 105 L 7.60 4.19 0.00 2.16 2.04 1.00 1.20 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 0.00 106 I 7.93 3.69 1.93 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 1.42 0.60 0.87 0.00 0.00 107 N 8.79 4.33 0.00 2.53 2.96 0.00 0.00 7.27 7.53 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 0.00 108 M 7.76 4.07 0.00 1.82 2.23 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 2.34 0.00 109 V 8.01 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 0.91 0.00 0.00 0.85 0.00 0.00 110 F 8.00 3.79 0.00 3.19 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 0.00 111 Q 8.35 4.36 0.00 2.35 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.49 0.00 0.00 0.00 0.00 0.00 2.55 2.58 0.00 112 M 8.02 4.42 0.00 1.93 1.85 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.55 0.00 113 G 8.81 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 0.00 114 E 8.75 3.81 0.00 2.17 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 0.00 2.29 2.40 0.00 115 T 7.35 3.92 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 1.19 0.00 0.00 116 G 7.92 3.67 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 0.00 0.00 0.00 117 V 7.57 2.81 1.84 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 0.43 0.00 0.00 0.66 0.00 0.00 118 A 8.04 4.26 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 0.00 119 G 7.57 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 0.00 0.00 0.00 120 F 8.81 4.76 0.00 2.85 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 0.00 121 T 7.85 3.87 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 1.23 0.00 0.00 122 N 8.16 4.24 0.00 2.76 2.83 0.00 0.00 7.14 7.63 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 0.00 123 S 8.16 4.10 0.00 4.16 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 0.00 124 L 8.10 4.10 0.00 1.82 1.70 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.16 3.90 0.00 1.85 2.23 0.00 3.08 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 126 M 8.52 4.16 0.00 2.09 2.30 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.56 0.00 127 L 9.38 4.61 0.00 1.78 1.77 0.30 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 128 Q 7.55 4.32 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 129 Q 7.80 4.07 0.00 1.91 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 130 K 7.16 2.53 0.00 1.43 0.74 0.00 1.49 0.00 0.00 1.50 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.98 1.17 7.81 131 R 8.18 4.18 0.00 2.02 1.89 0.00 3.09 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.55 0.00 132 W 6.86 4.46 0.00 3.39 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 0.00 133 D 8.34 4.50 0.00 2.83 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 0.00 134 E 8.34 3.96 0.00 2.21 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 0.00 2.34 2.36 0.00 135 A 7.99 4.20 1.42 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 0.00 0.00 0.00 136 A 8.82 4.18 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 0.00 0.00 0.00 0.00 0.00 137 V 7.25 4.06 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 0.84 0.00 0.00 0.90 0.00 0.00 138 N 8.01 4.43 0.00 3.09 2.84 0.00 0.00 7.02 6.63 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 0.00 139 L 7.55 4.16 0.00 1.91 2.22 0.98 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 140 A 7.43 4.15 1.10 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 0.00 141 K 7.28 4.21 0.00 1.87 1.73 0.00 1.60 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.34 7.81 142 S 7.38 4.61 0.00 3.98 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 0.00 143 R 8.82 4.77 0.00 1.90 2.14 0.00 3.39 0.00 0.00 3.99 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.59 0.00 144 W 8.93 4.39 0.00 3.74 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.60 3.49 0.00 3.04 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 0.00 146 N 8.59 4.43 0.00 2.89 2.91 0.00 0.00 6.70 7.58 0.00 0.00 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 Q 7.75 4.06 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 7.34 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 148 T 7.39 4.53 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 149 P 0.00 3.60 0.00 1.75 1.30 0.00 3.65 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 1.89 1.81 0.00 150 N 7.68 4.21 0.00 2.67 2.73 0.00 0.00 6.72 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 0.00 151 R 7.23 4.14 0.00 1.94 1.88 0.00 3.20 0.00 0.00 3.30 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.97 0.00 152 A 8.10 3.26 0.42 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 0.00 0.00 0.00 153 K 7.79 4.04 0.00 1.84 1.86 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.11 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.61 1.50 7.81 154 R 7.59 3.90 0.00 1.86 1.68 0.00 2.31 0.00 0.00 2.85 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.77 0.00 155 V 7.97 3.86 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 1.55 0.00 0.00 1.04 0.00 0.00 156 I 7.37 4.17 2.23 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.20 1.08 0.00 0.00 157 T 8.32 4.05 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 1.22 0.00 0.00 158 T 7.92 3.66 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 0.81 0.00 0.00 159 F 7.53 4.18 0.00 3.20 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 0.00 160 R 7.55 4.19 0.00 1.93 2.09 0.00 3.27 0.00 0.00 3.34 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 161 T 7.54 4.20 4.16 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 0.00 0.00 0.00 1.20 0.00 0.00 162 G 8.50 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 T 7.22 4.41 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 1.19 0.00 0.00 164 W 8.61 4.82 0.00 3.41 3.27 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 0.00 165 D 8.07 4.66 0.00 2.73 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 0.00 166 A 8.06 4.50 1.35 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 0.00 0.00 0.00 0.00 0.00 167 Y 8.86 4.76 0.00 3.07 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 0.00 168 K 7.89 4.03 0.00 1.89 1.79 0.00 1.64 0.00 0.00 1.84 0.00 0.00 2.88 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.33 7.81 * Residues marked with a * may have inaccurate shift predictions.