NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 28 S 4.5101 8.3349 117.1012 58.0232 62.8633 172.5841 29 L 4.6025 8.1973 126.1261 51.9840 43.9040 174.6347 30 D 5.1033 9.0716 121.1926 51.8540 44.7676 175.7534 31 K 4.2172 8.5329 120.7758 58.5858 32.4897 176.2957 32 G 4.1483 9.1803 111.4677 45.6871 0.0000 174.0933 33 D 4.5616 8.3180 119.5666 53.7125 42.0881 176.1781 34 K 4.4818 8.4935 123.3537 56.3249 33.0331 176.1572 35 A 3.9777 8.9579 130.2296 50.7312 18.9572 175.7721 36 P 4.0732 0.0000 0.0000 62.9799 31.9259 175.9094 37 D 4.7066 8.4449 122.3492 54.3270 42.4902 174.5661 38 F 5.0322 7.6398 114.4062 56.0843 41.2259 172.9576 39 A 5.1694 8.8461 120.7378 50.6508 21.1881 175.2641 40 L 5.0927 9.3760 121.9278 52.5457 46.2212 174.9537 41 P 4.7504 0.0000 0.0000 63.1952 32.8583 175.9632 42 G 4.9569 9.3190 111.3922 43.9791 0.0000 172.2846 43 K 4.3188 9.0344 117.3903 59.4387 33.3846 178.2007 44 T 4.3558 8.1066 108.5716 63.3404 70.6204 174.1588 45 G 3.8508 7.2839 115.2456 45.0086 0.0000 173.6430 46 V 4.6286 8.4605 125.0772 61.5010 33.3149 174.6635 47 V 4.5113 9.2621 125.9318 61.0642 34.3925 174.2494 48 K 5.5295 8.4025 126.3687 53.3618 34.9111 177.0403 49 L 3.5773 7.6388 126.7311 57.8998 41.9752 179.0527 50 S 4.0608 8.0447 112.9375 60.7403 62.9583 175.4277 51 D 4.4796 7.8836 119.7065 55.6306 40.9682 176.8648 52 K 4.4202 8.0157 119.0504 55.8593 32.4605 176.3583 53 T 4.1167 7.1388 109.8242 63.2298 68.9871 173.0910 54 G 4.1104 9.0133 111.6508 45.2326 0.0000 173.9238 55 S 4.8912 7.4192 113.9700 56.8721 65.0201 174.5241 56 V 4.0839 8.7135 123.5190 62.7146 32.7118 174.9356 57 V 4.7326 9.1148 127.8545 61.2272 34.6362 173.6415 58 Y 4.9334 8.6142 129.1823 56.0093 40.2637 173.7428 59 L 4.6615 8.8814 130.6927 53.8239 43.6176 174.5529 60 D 5.1832 8.8916 126.6830 52.3744 43.9348 174.7528 61 F 5.2951 9.1915 124.3672 55.5909 41.3441 174.5243 62 W 5.1890 8.8817 120.2329 55.0091 32.5552 173.6553 63 A 4.2628 7.9658 119.5024 50.1677 21.3041 177.7856 64 S 3.5333 9.1824 115.9726 60.4920 63.1800 175.8347 65 W 4.3542 7.4548 116.4795 57.8152 28.7186 175.6660 66 C 4.1718 7.0604 120.6610 58.3572 30.5500 173.6652 67 G 3.9288 9.1025 114.9031 48.0084 0.0000 172.1737 68 P 4.6285 0.0000 0.0000 65.4645 31.3041 178.3566 69 C 4.7079 8.1368 116.6257 61.9696 27.7335 175.8132 70 R 4.0889 8.2789 120.1016 58.8480 29.6857 177.8040 71 Q 4.3997 7.9519 116.8600 58.1937 29.5489 177.6800 72 S 3.1904 8.1687 115.5070 60.8619 62.6688 176.6107 73 F 3.9573 8.2011 120.6649 59.9778 38.9848 174.9200 74 P 4.4681 0.0000 0.0000 65.4464 31.3232 179.1322 75 W 4.0989 7.6387 125.1494 57.6859 30.0251 176.4627 *77 N 4.8900 8.2842 116.2008 53.0443 39.9705 176.8366 78 Q 3.7458 7.6789 116.1969 56.7141 28.7575 177.3595 *80 Q 4.3986 8.2795 118.5372 55.6717 30.6976 177.0648 81 A 3.9916 7.8474 118.1870 55.0272 18.3780 179.2505 82 K 3.7778 7.9828 117.4259 58.5849 32.4178 177.6610 83 Y 4.7972 7.4205 113.7550 57.0489 38.8883 177.1738 84 K 4.3386 8.5658 123.3332 59.5518 32.2867 178.8267 85 A 3.9623 8.1036 121.2415 54.4051 18.4171 177.8427 86 K 4.3551 8.2584 113.7425 56.2608 32.5626 176.7080 87 G 3.7950 8.5477 107.5076 46.4989 0.0000 172.9579 88 F 5.4644 8.1194 120.2085 56.2358 42.6753 174.1982 89 Q 4.3861 7.9871 123.4506 54.1435 33.4508 173.8721 90 V 4.1771 8.6720 124.0748 61.4669 33.6200 174.6912 91 V 4.4974 8.6492 127.3688 61.1751 34.3278 174.1040 92 A 4.9368 8.9711 131.7359 50.1623 20.7420 175.4591 93 V 4.0470 8.4658 123.6394 63.0613 32.5048 174.9136 94 N 3.6276 9.1838 128.4918 52.4936 40.1417 174.9411 95 L 4.7964 7.6983 124.1134 54.4524 42.8757 176.5744 96 D 4.4701 8.4712 120.1341 53.9692 41.3988 177.2878 97 A 4.0162 8.8626 126.1532 54.4988 18.7465 178.1576 98 K 4.6198 7.7473 114.9711 54.4003 34.7911 177.4113 99 T 3.8919 8.5787 114.1525 64.3792 68.9939 176.5457 100 G 3.6754 8.1176 110.4910 48.6516 0.0000 174.3803 101 D 4.4852 8.2627 119.8687 57.0439 41.0825 178.9035 102 A 4.1291 7.7381 121.0009 52.3838 17.9984 179.5653 *104 K 4.2627 8.2649 120.1634 58.2047 34.3957 178.1808 105 F 4.0764 8.4452 120.6821 61.3735 39.2921 177.3080 106 L 4.2868 8.5512 118.6432 57.2977 41.5513 178.4987 107 A 4.1590 7.8294 120.9405 54.0897 18.4130 178.0262 108 Q 4.3202 7.7390 112.1684 55.4930 30.5054 175.4890 109 V 4.0068 7.1373 116.9984 59.7291 32.4283 173.1784 110 P 4.0954 0.0000 0.0000 63.1559 31.5479 176.7362 111 A 3.8449 7.9398 124.0398 50.5779 19.8824 175.9267 112 E 4.3040 7.6972 126.6978 55.9667 29.7759 175.6671 113 F 4.9052 6.4632 111.6443 55.6921 41.6395 174.6080 114 T 4.0588 8.3324 115.7108 63.9806 69.1564 173.8233 115 V 4.9442 8.5121 125.2985 61.0194 34.1524 174.2733 116 A 4.8731 8.7228 128.3767 50.0096 22.7339 174.5996 117 F 4.8391 8.8047 117.8310 55.2425 41.4996 175.9878 118 D 4.9045 8.7530 123.4799 51.5697 40.8087 174.2109 119 P 4.4887 0.0000 0.0000 64.8680 31.8232 178.7429 120 K 4.0495 8.0712 116.9981 56.9719 32.3055 176.8272 121 G 3.8741 8.1640 106.8531 47.2084 0.0000 176.0218 122 Q 4.1521 8.4771 120.7436 58.5921 28.9911 177.9010 123 T 3.9860 8.9475 111.4945 64.3560 68.7642 174.6555 124 P 3.4998 0.0000 0.0000 65.4456 30.8861 178.5446 125 R 3.8820 7.8339 117.1448 59.0465 29.8793 178.6559 126 L 4.0304 7.4065 116.9499 57.6655 41.7285 178.2929 127 Y 4.1210 7.9802 113.7853 56.9125 38.1829 175.6729 128 G 3.9112 7.9152 107.9743 46.2608 0.0000 174.4103 129 V 3.7301 7.9884 120.0065 62.8364 31.7817 175.7073 130 K 4.6860 8.4325 124.4129 55.7337 33.8556 176.4890 131 G 3.7418 7.3880 108.7587 44.6430 0.0000 170.4627 *133 P 4.4798 0.0000 0.0000 63.2918 33.5568 175.8341 134 T 5.2728 8.4357 114.5208 62.0901 73.0553 173.6490 135 S 5.2201 9.1474 119.4718 56.7238 67.0703 172.7786 136 F 5.2658 9.2471 119.1632 55.6828 43.1817 173.5512 137 L 5.1955 8.6914 124.0914 53.5669 44.2856 174.9940 138 I 5.1988 9.1632 127.3650 59.3314 40.3749 175.3762 139 D 4.9428 9.0414 127.1053 52.7462 40.7925 177.6107 140 R 4.0976 8.7837 116.9442 58.9448 30.0785 178.0606 141 N 4.6954 9.6757 114.6576 52.7154 38.9085 175.7211 142 G 3.8877 8.6274 107.4868 45.7821 0.0000 173.3645 143 K 4.8708 7.7977 118.2627 54.0832 34.3297 175.7480 144 V 4.1677 8.8282 123.0370 63.4228 31.8022 176.4370 145 L 4.7654 9.0259 128.2034 56.1717 43.4180 176.4665 146 L 4.5011 7.4756 115.8646 55.0425 43.4579 173.5306 147 Q 4.3505 8.6983 120.7680 54.5055 31.5887 173.5883 148 H 4.8259 9.0991 127.2067 54.3684 32.2630 172.6259 149 V 4.1983 8.2560 125.9450 62.4076 32.8710 176.7848 150 G 3.9600 10.0678 117.4096 45.2044 0.0000 172.4078 151 F 4.7813 8.2925 119.4853 56.9831 42.1548 173.3793 152 R 4.6104 8.0382 123.5009 52.7296 32.3444 174.1256 153 P 3.5123 0.0000 0.0000 65.9649 30.9920 178.3889 154 A 4.0761 7.6292 117.3754 54.2472 18.6699 178.6043 155 D 4.2035 8.5487 118.9518 56.4467 40.8852 178.5607 156 K 3.0583 6.8564 118.0266 59.3899 32.0142 178.6171 157 E 3.9125 7.9590 118.2493 59.3334 29.7300 178.5417 158 A 3.9914 7.8189 120.3226 55.0061 18.4884 179.3957 159 L 3.9686 7.8944 117.5195 58.0889 41.7458 179.4450 160 E 4.0327 8.5164 119.1803 59.2617 29.5481 178.8263 161 Q 4.0074 8.1488 118.3308 59.0010 28.7806 178.7872 162 Q 4.0058 8.1099 119.0328 58.9006 28.8653 178.8366 163 I 3.5771 7.8042 120.7681 64.2601 36.9081 178.0127 164 L 3.4739 7.7057 119.7469 58.0284 42.1189 178.6393 165 A 4.0601 8.0205 120.1541 55.2561 18.1837 179.4338 166 A 4.2105 7.8063 117.7025 54.9811 18.4425 178.8576 167 L 4.2940 7.4361 114.7439 54.4876 41.9842 177.2185 168 G 4.0941 8.3277 114.3820 45.8824 0.0000 173.6221 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 28 S 8.33 4.51 0.00 3.65 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 29 L 8.20 4.60 0.00 1.78 1.58 0.42 0.55 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 30 D 9.07 5.10 0.00 2.84 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.53 4.22 0.00 1.77 1.81 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.63 1.50 7.81 32 G 9.18 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 0.00 0.00 0.00 33 D 8.32 4.56 0.00 2.80 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.49 4.48 0.00 1.71 1.66 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.45 7.81 35 A 8.96 3.98 1.32 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 36 P 0.00 4.07 0.00 1.90 1.92 0.00 2.20 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 37 D 8.44 4.71 0.00 2.61 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 38 F 7.64 5.03 0.00 3.15 3.22 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 0.00 39 A 8.85 5.17 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 40 L 9.38 5.09 0.00 1.59 1.71 0.41 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.75 0.00 2.23 2.25 0.00 3.84 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.05 0.00 42 G 9.32 4.96 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 43 K 9.03 4.32 0.00 1.99 2.20 0.00 1.83 0.00 0.00 2.06 0.00 0.00 3.02 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.51 1.47 7.81 44 T 8.11 4.36 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 1.24 0.00 0.00 45 G 7.28 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 V 8.46 4.63 2.12 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 0.90 0.00 0.00 0.97 0.00 0.00 47 V 9.26 4.51 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 1.04 0.00 0.00 1.00 0.00 0.00 48 K 8.40 5.53 0.00 1.80 1.55 0.00 2.00 0.00 0.00 1.69 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.24 7.81 49 L 7.64 3.58 0.00 0.36 1.30 0.83 0.94 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 50 S 8.04 4.06 0.00 4.00 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 51 D 7.88 4.48 0.00 2.79 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 52 K 8.02 4.42 0.00 1.78 1.74 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.42 7.81 53 T 7.14 4.12 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 1.23 0.00 0.00 54 G 9.01 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 0.00 0.00 0.00 55 S 7.42 4.89 0.00 3.90 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 56 V 8.71 4.08 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 1.17 0.00 0.00 1.02 0.00 0.00 57 V 9.11 4.73 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 0.89 0.00 0.00 0.87 0.00 0.00 58 Y 8.61 4.93 0.00 3.30 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 59 L 8.88 4.66 0.00 1.71 1.55 0.79 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 60 D 8.89 5.18 0.00 2.66 2.30 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 61 F 9.19 5.30 0.00 3.17 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 62 W 8.88 5.19 0.00 3.44 3.36 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 63 A 7.97 4.26 0.43 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 0.00 0.00 64 S 9.18 3.53 0.00 4.11 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 65 W 7.45 4.35 0.00 3.55 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 66 C 7.06 4.17 0.00 1.60 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.10 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 68 P 0.00 4.63 0.00 2.27 2.52 0.00 3.66 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 69 C 8.14 4.71 0.00 3.09 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 70 R 8.28 4.09 0.00 1.87 2.13 0.00 3.19 0.00 0.00 3.11 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 71 Q 7.95 4.40 0.00 2.47 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.87 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 72 S 8.17 3.19 0.00 3.20 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 73 F 8.20 3.96 0.00 3.09 3.22 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 0.00 74 P 0.00 4.47 0.00 2.31 2.17 0.00 3.88 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.15 0.00 75 W 7.64 4.10 0.00 3.51 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 *77 N 8.28 4.89 0.00 3.09 2.89 0.00 0.00 6.65 7.44 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 78 Q 7.68 3.75 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.39 0.00 0.00 0.00 0.00 0.00 2.21 2.22 0.00 *80 Q 8.28 4.40 0.00 2.23 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.68 0.00 0.00 0.00 0.00 0.00 2.63 2.47 0.00 81 A 7.85 3.99 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 82 K 7.98 3.78 0.00 1.48 1.16 0.00 1.43 0.00 0.00 1.19 0.00 0.00 2.77 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.30 0.98 7.81 83 Y 7.42 4.80 0.00 2.66 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 84 K 8.57 4.34 0.00 2.04 2.36 0.00 1.61 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.35 7.81 85 A 8.10 3.96 1.32 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 86 K 8.26 4.36 0.00 2.00 1.90 0.00 1.92 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.47 7.81 87 G 8.55 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 88 F 8.12 5.46 0.00 3.13 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 89 Q 7.99 4.39 0.00 1.80 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.62 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 90 V 8.67 4.18 1.56 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 -0.17 0.00 0.00 0.54 0.00 0.00 91 V 8.65 4.50 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 0.87 0.00 0.00 0.87 0.00 0.00 92 A 8.97 4.94 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 0.00 0.00 0.00 0.00 0.00 93 V 8.47 4.05 1.43 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 0.67 0.00 0.00 0.31 0.00 0.00 94 N 9.18 3.63 0.00 1.95 2.36 0.00 0.00 6.55 5.12 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 L 7.70 4.80 0.00 1.38 1.58 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.47 4.47 0.00 2.76 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 A 8.86 4.02 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 98 K 7.75 4.62 0.00 1.97 1.68 0.00 1.67 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.40 1.38 7.81 99 T 8.58 3.89 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 1.14 0.00 0.00 100 G 8.12 3.68 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 0.00 0.00 0.00 101 D 8.26 4.49 0.00 2.93 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 0.00 102 A 7.74 4.13 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *104 K 8.26 4.26 0.00 2.18 1.98 0.00 1.72 0.00 0.00 1.94 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.47 1.70 7.81 105 F 8.45 4.08 0.00 3.25 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 0.00 106 L 8.55 4.29 0.00 1.87 1.87 1.37 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.83 4.16 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.74 4.32 0.00 1.81 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.81 0.00 0.00 0.00 0.00 0.00 2.21 2.46 0.00 109 V 7.14 4.01 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 0.52 0.00 0.00 0.01 0.00 0.00 110 P 0.00 4.10 0.00 2.03 1.93 0.00 3.61 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 1.99 2.05 0.00 111 A 7.94 3.84 0.85 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 0.00 112 E 7.70 4.30 0.00 1.88 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 2.19 2.15 0.00 113 F 6.46 4.91 0.00 3.00 3.01 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 0.00 114 T 8.33 4.06 4.40 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 1.25 0.00 0.00 115 V 8.51 4.94 2.10 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 0.67 0.00 0.00 1.09 0.00 0.00 116 A 8.72 4.87 1.14 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 0.00 0.00 117 F 8.80 4.84 0.00 2.93 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 0.00 118 D 8.75 4.90 0.00 2.57 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 0.00 119 P 0.00 4.49 0.00 2.22 2.19 0.00 3.55 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 120 K 8.07 4.05 0.00 1.78 1.91 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.44 7.81 121 G 8.16 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 0.00 0.00 0.00 122 Q 8.48 4.15 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.86 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 123 T 8.95 3.99 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 1.01 0.00 0.00 124 P 0.00 3.50 0.00 2.08 1.95 0.00 3.65 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.02 0.00 125 R 7.83 3.88 0.00 2.02 2.01 0.00 3.13 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 126 L 7.41 4.03 0.00 2.05 1.78 1.04 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 127 Y 7.98 4.12 0.00 2.59 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 G 7.92 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 0.00 0.00 0.00 129 V 7.99 3.73 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 0.75 0.00 0.00 0.50 0.00 0.00 130 K 8.43 4.69 0.00 1.74 1.76 0.00 1.85 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.65 7.81 131 G 7.39 3.74 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 0.00 0.00 0.00 *133 P 0.00 4.48 0.00 2.27 2.35 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 134 T 8.44 5.27 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 1.02 0.00 0.00 135 S 9.15 5.22 0.00 3.09 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 0.00 136 F 9.25 5.27 0.00 2.95 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 0.00 137 L 8.69 5.20 0.00 1.98 1.64 1.30 1.09 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 0.00 138 I 9.16 5.20 1.93 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.66 0.94 0.00 0.00 139 D 9.04 4.94 0.00 2.82 2.86 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 0.00 140 R 8.78 4.10 0.00 1.91 2.09 0.00 3.13 0.00 0.00 3.43 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.69 0.00 141 N 9.68 4.70 0.00 2.68 2.84 0.00 0.00 7.03 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 0.00 142 G 8.63 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 0.00 0.00 0.00 143 K 7.80 4.87 0.00 2.10 1.84 0.00 1.68 0.00 0.00 2.01 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.40 7.81 144 V 8.83 4.17 2.15 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 1.15 0.00 0.00 1.00 0.00 0.00 145 L 9.03 4.77 0.00 1.73 1.76 0.98 1.00 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 0.00 146 L 7.48 4.50 0.00 1.75 1.76 0.97 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 147 Q 8.70 4.35 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.75 0.00 0.00 0.00 0.00 0.00 1.91 1.19 0.00 148 H 9.10 4.83 0.00 3.22 3.14 0.00 5.82 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 V 8.26 4.20 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 0.81 0.00 0.00 0.86 0.00 0.00 150 G 10.07 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 0.00 151 F 8.29 4.78 0.00 3.02 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 0.00 152 R 8.04 4.61 0.00 1.88 1.87 0.00 2.79 0.00 0.00 3.10 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.44 0.00 153 P 0.00 3.51 0.00 2.10 2.14 0.00 3.52 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 154 A 7.63 4.08 1.19 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 0.00 0.00 155 D 8.55 4.20 0.00 1.79 2.24 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 0.00 156 K 6.86 3.06 0.00 1.72 1.79 0.00 1.60 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.39 0.87 7.81 157 E 7.96 3.91 0.00 2.01 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 2.37 2.39 0.00 158 A 7.82 3.99 1.27 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 0.00 0.00 159 L 7.89 3.97 0.00 1.79 2.03 0.56 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 160 E 8.52 4.03 0.00 2.34 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 0.00 2.38 2.44 0.00 161 Q 8.15 4.01 0.00 2.32 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.64 2.55 0.00 162 Q 8.11 4.01 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.61 2.58 0.00 163 I 7.80 3.58 1.67 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.34 -0.13 0.00 0.00 164 L 7.71 3.47 0.00 1.47 1.77 0.87 1.06 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 0.00 165 A 8.02 4.06 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 0.00 166 A 7.81 4.21 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 0.00 167 L 7.44 4.29 0.00 1.66 1.65 0.43 0.87 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 0.00 168 G 8.33 4.09 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.