NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 Y 4.6295 8.1444 118.4063 57.6572 39.2468 174.8318 10 D 4.4085 8.6805 125.3970 53.6904 42.0753 174.9911 11 N 4.5975 9.1896 125.5557 56.2971 39.1737 176.8673 12 R 4.0891 7.9933 121.1250 59.0731 30.2822 178.3412 13 E 4.1194 8.2753 118.5276 59.3132 29.4742 179.3467 14 I 3.7188 7.7324 119.4957 64.2903 37.1645 178.5346 15 V 3.9893 8.3155 119.2226 66.5362 31.3738 177.8192 16 M 4.6087 8.8505 121.2047 59.3703 31.9785 179.7106 17 K 4.1294 8.3973 123.7320 59.6443 31.5250 180.1964 18 Y 4.2554 8.1468 120.2983 61.0110 38.7584 178.5172 19 I 3.7821 8.2669 120.5397 64.5773 37.1282 177.9256 20 H 4.4909 9.0114 119.5456 59.6305 29.8703 176.7297 21 Y 4.0036 8.1392 121.0735 60.5002 38.4197 177.6275 22 K 3.9085 7.7289 119.5235 59.5099 32.4555 178.4801 23 L 4.1067 8.3549 119.9511 57.6423 41.5932 179.5223 24 S 4.1557 8.2483 114.4539 61.4946 62.5794 176.4668 25 Q 3.9035 7.4394 120.3316 57.9696 28.3552 177.5640 26 R 4.3053 7.7497 116.9405 55.5662 30.3196 176.9996 27 G 3.7872 8.0026 105.6861 45.8797 0.0000 172.9913 28 Y 4.3535 7.7809 120.5630 55.9803 39.0134 175.3735 29 E 4.2224 7.9280 128.2783 54.4709 28.3933 175.1811 30 W 4.3237 8.0787 134.0709 56.8157 31.8379 176.1573 31 D 4.3444 8.5262 123.0617 52.8457 38.8744 176.4218 32 A 2.0000 6.2207 119.1915 52.3825 16.4729 178.5673 33 G 3.8799 7.9924 104.2107 46.8014 0.0000 175.6316 34 A 3.9839 7.7406 124.6499 54.8256 18.3449 180.0215 35 D 4.2616 8.1349 115.2325 57.3158 41.1006 178.0589 *49 S 4.4136 7.5771 114.5802 57.9333 65.1054 175.0208 50 E 3.9943 8.4483 122.5530 59.8040 29.9351 178.7364 51 V 3.5727 7.8652 117.6827 66.1619 31.5008 177.8880 52 V 3.6197 7.6735 117.6973 66.3733 31.2924 177.7648 53 H 4.1478 7.8299 115.2235 58.9087 28.7110 177.8150 54 K 3.9439 7.8703 119.8716 59.6130 31.7264 179.6555 55 T 3.8730 8.0010 116.0565 66.5796 68.4069 176.4559 56 L 4.0954 8.1947 122.3398 58.0845 41.9386 178.9135 57 R 3.9464 8.0978 118.6164 59.4325 29.9499 178.0131 58 E 3.9344 8.2431 118.7325 59.3801 29.7906 178.3795 59 A 4.3503 8.5345 121.2489 55.3893 18.2988 179.9042 60 G 3.9151 8.7274 105.7196 47.6699 0.0000 175.6893 61 D 4.4486 8.5195 121.9813 57.2780 40.9127 178.6120 62 D 4.4453 8.5878 119.6158 57.3307 40.6315 178.8561 63 F 4.2979 8.3813 121.2204 61.4340 39.1281 177.5164 64 S 4.4752 8.8580 116.5519 61.8096 62.5688 177.2927 65 R 4.0026 8.0744 124.0182 61.4161 29.2529 182.2850 66 R 4.0535 7.8742 118.5498 58.1409 30.3795 176.5757 67 Y 4.7885 7.4944 116.5723 57.1118 39.0675 178.0364 68 R 4.2068 8.3299 122.7132 59.1132 30.1589 177.1891 69 R 3.9206 7.9826 117.8505 59.5589 30.1366 177.8752 70 D 4.3353 8.1744 118.2206 57.5689 40.7594 178.7973 71 F 4.1507 8.8286 118.3528 60.2552 38.7075 177.5661 72 A 4.0604 8.5257 120.8606 55.3817 18.0189 179.6194 73 E 3.8936 8.3218 116.2610 59.7236 29.4145 179.2920 74 M 4.2224 8.3968 117.2148 58.1794 30.9900 178.8520 75 S 4.3253 7.9903 117.9969 61.3764 63.2431 176.6276 *76 S 4.8562 7.6325 116.3613 57.9488 63.0488 176.4344 77 G 4.1025 7.5959 108.7667 45.5791 0.0000 174.1077 78 L 4.1203 7.5947 121.9892 54.8486 42.7428 175.6058 79 H 4.7689 8.7163 122.1567 53.9487 30.3938 172.7664 80 L 4.8099 8.4310 125.9240 53.3681 44.7405 175.6258 81 T 4.7507 8.2898 121.1162 61.2895 72.7738 173.1351 82 P 4.2509 0.0000 0.0000 65.5005 31.3661 178.0467 83 F 4.6363 7.6674 115.5345 59.1969 39.3539 176.5285 84 T 4.5765 7.7121 109.1394 61.4830 69.9336 175.9108 85 A 4.1150 7.9259 124.0355 55.3946 18.3827 179.4173 86 R 2.7033 8.1080 116.8232 59.1824 30.0691 178.8476 87 G 3.5243 7.9316 105.0671 47.4858 0.0000 175.5613 88 R 3.9203 8.4797 121.5078 59.2117 30.1357 178.0063 89 F 4.1426 8.6110 120.4880 61.5217 39.3664 176.7891 90 A 3.9905 8.3429 120.4688 55.4910 18.2187 179.7405 91 T 3.7363 7.8635 108.1650 64.8973 68.7482 176.9194 92 V 3.3318 7.6943 121.3308 65.4874 31.3082 178.2041 93 V 3.1438 7.3504 118.0801 65.5728 30.9865 177.5575 94 E 3.9073 7.7583 118.1922 59.3901 29.6300 178.3732 95 E 3.9832 7.9018 118.5384 59.2644 29.2563 179.0483 96 L 3.6299 7.6662 119.5886 57.1713 42.3447 178.1451 97 F 5.0660 7.2958 116.5082 56.1761 39.0985 177.3418 98 R 3.8803 7.3338 121.1294 59.7330 29.8423 177.4689 99 D 4.5876 7.9234 115.0856 54.4913 41.2697 177.1909 100 G 3.8471 8.1178 107.4086 45.0890 0.0000 172.8967 101 V 4.2789 7.5760 117.5162 60.8905 33.2572 174.7934 102 N 4.8761 7.7382 122.2233 49.9581 41.7606 175.3491 103 W 4.7194 9.0653 120.7417 60.2455 29.1243 179.0154 104 G 3.8897 8.5242 105.2279 47.8161 0.0000 175.9515 105 R 3.8910 8.4716 120.4121 58.8973 30.0158 179.1012 106 I 4.0006 8.0041 119.8212 64.4272 37.0575 178.3568 107 V 3.6517 8.3724 119.2297 66.1903 31.2150 177.8299 108 A 3.2478 7.6895 120.2035 54.8236 18.1048 179.2579 109 F 4.0413 8.4409 119.2624 61.5591 39.3908 177.3872 110 F 3.6538 8.3836 117.2916 60.5027 38.6624 177.3820 111 E 4.2312 8.6168 119.2145 59.0449 29.3718 178.7012 112 F 4.4414 8.8150 121.5197 61.2091 39.5333 177.2792 113 G 3.6303 8.0549 105.5823 47.7246 0.0000 175.6393 114 G 3.7716 8.5237 108.6851 47.6697 0.0000 175.8787 115 V 3.5360 7.8700 120.8874 65.8960 31.5616 177.9739 116 M 3.9294 7.8016 118.4594 58.4008 31.7012 178.6321 117 C 3.8591 7.8825 116.8161 62.7108 28.2644 176.2985 118 V 3.4262 7.6856 119.8194 66.0526 31.2230 177.9617 119 E 3.9037 8.5380 118.7315 59.1965 29.2365 179.4490 120 S 3.9971 7.9732 115.3558 61.6144 62.9193 176.9419 121 V 3.4440 7.3762 122.0608 65.4568 30.9648 177.7971 122 N 4.3415 8.0194 115.2552 55.7655 38.3381 176.5198 123 R 4.3601 7.4456 116.6903 55.0322 30.5104 175.9747 124 E 3.8100 7.9210 116.7496 58.2424 27.5382 174.4718 125 M 4.7771 8.1463 115.6464 54.7372 33.2280 178.6317 126 S 3.8496 8.1683 117.1301 61.2586 63.3459 175.2915 127 P 4.2853 0.0000 0.0000 65.4486 30.9265 178.3076 128 L 3.8673 8.0026 117.6732 57.2002 41.3136 179.4707 129 V 3.2319 7.6173 118.9310 65.8620 31.4133 177.7020 130 D 4.4928 7.7944 118.7153 57.3659 40.5800 178.4930 131 N 3.8418 7.6588 116.3489 56.0099 38.4614 177.2255 132 I 2.6588 6.6713 120.6249 63.9154 37.1542 177.8872 133 A 3.9112 7.5734 121.5356 55.3957 18.0916 179.3403 134 L 3.9108 7.5532 118.0634 58.1643 42.1761 179.1401 135 W 4.3761 7.6491 118.9522 60.0669 28.8304 178.2666 136 M 4.6335 8.1194 118.5732 58.9989 31.2269 178.9664 137 T 4.0472 8.1668 115.6138 66.8075 68.6419 176.5420 138 E 4.1437 8.5806 120.5950 59.7503 29.4476 178.9128 139 Y 4.0799 8.5206 119.5201 60.5223 38.7478 177.8989 140 L 3.8781 8.4199 120.1262 58.0132 41.5910 179.3013 141 N 4.4075 8.2593 114.9897 55.6159 38.5457 176.9534 142 R 4.2089 7.8756 118.1838 57.4061 31.0455 177.4429 143 H 4.5182 7.8040 113.5603 55.2654 30.9782 175.2137 144 L 4.1485 7.0237 119.0878 54.9530 42.1140 177.9646 145 H 4.1050 7.9563 118.8065 59.6439 29.8235 176.9528 146 T 3.7176 7.7668 116.8611 66.2935 68.3252 176.3150 147 W 3.8149 7.9546 129.6873 60.3210 30.7815 177.8309 148 I 3.3666 8.0360 120.1060 64.4554 36.5739 178.1850 149 Q 3.8778 8.2499 120.6235 59.2881 28.6526 177.8659 150 D 4.3701 7.8395 118.2085 56.1185 40.9061 177.2555 151 N 4.4524 7.0015 115.2315 52.8103 38.8261 175.8016 152 G 3.8355 7.6429 109.7998 44.5875 0.0000 174.5258 153 G 3.9161 8.2584 107.3543 44.4933 0.0000 174.2108 154 W 4.1082 8.3842 116.8094 59.5019 28.5359 178.1215 155 D 4.4530 8.3542 118.6076 57.5191 40.2545 178.5226 156 A 3.9863 8.0807 121.0253 54.8667 18.3185 179.4704 157 F 3.1764 7.5500 118.6876 61.1077 39.2503 177.2337 158 V 3.4633 7.7105 116.5604 66.0090 31.6161 177.2447 159 E 4.0121 8.3701 119.2139 59.2912 29.2984 178.5992 160 L 3.9754 7.7607 119.0449 57.1088 42.1270 176.9094 161 Y 4.2835 7.4272 113.9461 56.9950 38.3781 175.4592 162 G 4.2837 7.9912 106.2035 45.9084 0.0000 172.4366 163 P 4.3589 0.0000 0.0000 62.6907 31.3139 176.5300 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 9 Y 8.14 4.63 0.00 3.24 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 10 D 8.68 4.41 0.00 2.93 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 11 N 9.19 4.60 0.00 2.99 3.10 0.00 0.00 6.74 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 12 R 7.99 4.09 0.00 1.96 2.17 0.00 3.27 0.00 0.00 3.34 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 13 E 8.28 4.12 0.00 2.04 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 2.50 2.54 0.00 14 I 7.73 3.72 1.97 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.99 0.30 0.00 0.00 15 V 8.32 3.99 2.42 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 1.21 0.00 0.00 1.18 0.00 0.00 16 M 8.85 4.61 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.99 2.82 0.00 17 K 8.40 4.13 0.00 1.77 1.81 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.31 7.81 18 Y 8.15 4.26 0.00 3.27 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 19 I 8.27 3.78 1.90 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.72 0.05 0.00 0.00 20 H 9.01 4.49 0.00 3.73 3.51 0.00 5.59 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 8.14 4.00 0.00 3.19 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 7.73 3.91 0.00 1.76 1.76 0.00 1.31 0.00 0.00 1.50 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.39 7.81 23 L 8.35 4.11 0.00 1.75 1.88 0.60 0.54 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 24 S 8.25 4.16 0.00 3.97 4.17 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 25 Q 7.44 3.90 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.07 0.00 0.00 0.00 0.00 0.00 1.92 1.85 0.00 26 R 7.75 4.31 0.00 2.01 1.89 0.00 3.34 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.42 0.00 27 G 8.00 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 28 Y 7.78 4.35 0.00 2.86 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 29 E 7.93 4.22 0.00 1.82 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.16 0.00 30 W 8.08 4.32 0.00 3.43 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.53 4.34 0.00 2.69 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 32 A 6.22 2.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.99 3.88 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 0.00 0.00 0.00 34 A 7.74 3.98 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.13 4.26 0.00 2.78 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 *49 S 7.58 4.41 0.00 3.88 3.75 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 50 E 8.45 3.99 0.00 2.10 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 2.39 2.46 0.00 51 V 7.87 3.57 2.14 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 1.00 0.00 0.00 0.96 0.00 0.00 52 V 7.67 3.62 2.11 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 0.42 0.00 0.00 0.90 0.00 0.00 53 H 7.83 4.15 0.00 3.30 3.26 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 K 7.87 3.94 0.00 1.91 1.84 0.00 1.64 0.00 0.00 1.61 0.00 0.00 3.11 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.38 1.42 7.81 55 T 8.00 3.87 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 56 L 8.19 4.10 0.00 1.57 1.69 0.33 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 57 R 8.10 3.95 0.00 1.91 2.02 0.00 2.82 0.00 0.00 2.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.29 0.00 58 E 8.24 3.93 0.00 2.17 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 0.00 2.36 2.47 0.00 59 A 8.53 4.35 1.45 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 0.00 0.00 60 G 8.73 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 61 D 8.52 4.45 0.00 2.91 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 62 D 8.59 4.45 0.00 3.01 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 63 F 8.38 4.30 0.00 3.59 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 8.86 4.48 0.00 3.78 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 65 R 8.07 4.00 0.00 1.93 1.89 0.00 3.27 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 66 R 7.87 4.05 0.00 1.56 1.89 0.00 2.79 0.00 0.00 2.93 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.50 0.00 67 Y 7.49 4.79 0.00 2.98 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 68 R 8.33 4.21 0.00 2.17 1.98 0.00 3.25 0.00 0.00 3.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.63 0.00 69 R 7.98 3.92 0.00 1.94 1.93 0.00 3.37 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.74 0.00 70 D 8.17 4.34 0.00 2.86 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 F 8.83 4.15 0.00 3.40 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 72 A 8.53 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.32 3.89 0.00 2.11 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 2.42 0.00 74 M 8.40 4.22 0.00 2.28 2.34 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.62 0.00 75 S 7.99 4.33 0.00 4.18 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 *76 S 7.63 4.86 0.00 3.69 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 77 G 7.60 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.59 4.12 0.00 1.92 1.76 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 79 H 8.72 4.77 0.00 3.15 3.23 0.00 5.89 0.00 0.00 0.00 0.00 6.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.43 4.81 0.00 1.54 1.50 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.29 4.75 4.34 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 1.40 0.00 0.00 82 P 0.00 4.25 0.00 1.41 1.91 0.00 3.36 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.97 0.00 83 F 7.67 4.64 0.00 3.11 3.05 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 84 T 7.71 4.58 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 85 A 7.93 4.11 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 86 R 8.11 2.70 0.00 1.35 1.63 0.00 2.77 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.50 0.00 87 G 7.93 3.52 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 0.00 0.00 0.00 88 R 8.48 3.92 0.00 2.01 2.26 0.00 3.27 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.97 0.00 89 F 8.61 4.14 0.00 3.55 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 90 A 8.34 3.99 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 91 T 7.86 3.74 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 1.24 0.00 0.00 92 V 7.69 3.33 1.46 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 -0.20 0.00 0.00 0.68 0.00 0.00 93 V 7.35 3.14 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 0.01 0.00 0.00 -0.04 0.00 0.00 94 E 7.76 3.91 0.00 2.05 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 2.31 2.47 0.00 95 E 7.90 3.98 0.00 2.02 1.82 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 2.22 2.27 0.00 96 L 7.67 3.63 0.00 1.23 1.29 0.54 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 97 F 7.30 5.07 0.00 3.09 2.85 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 98 R 7.33 3.88 0.00 1.85 1.98 0.00 3.21 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 99 D 7.92 4.59 0.00 2.67 2.65 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 0.00 0.00 0.00 0.00 100 G 8.12 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 0.00 101 V 7.58 4.28 0.67 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 -0.77 0.00 0.00 0.32 0.00 0.00 102 N 7.74 4.88 0.00 3.10 2.90 0.00 0.00 6.21 8.88 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 0.00 103 W 9.07 4.72 0.00 3.84 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 0.00 104 G 8.52 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 0.00 105 R 8.47 3.89 0.00 2.00 1.54 0.00 3.14 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.81 0.00 106 I 8.00 4.00 2.28 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.52 1.29 0.00 0.00 107 V 8.37 3.65 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 1.23 0.00 0.00 1.09 0.00 0.00 108 A 7.69 3.25 1.09 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 0.00 109 F 8.44 4.04 0.00 3.14 3.37 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 0.00 110 F 8.38 3.65 0.00 3.07 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 0.00 0.00 0.00 111 E 8.62 4.23 0.00 2.35 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 0.00 2.52 2.28 0.00 112 F 8.82 4.44 0.00 3.20 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 0.00 113 G 8.05 3.63 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 0.00 0.00 0.00 114 G 8.52 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 0.00 0.00 0.00 115 V 7.87 3.54 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 1.06 0.00 0.00 1.00 0.00 0.00 116 M 7.80 3.93 0.00 1.94 1.96 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 2.21 0.00 117 C 7.88 3.86 0.00 2.89 2.61 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 0.00 0.00 0.00 0.00 118 V 7.69 3.43 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 0.94 0.00 0.00 0.84 0.00 0.00 119 E 8.54 3.90 0.00 1.96 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 2.43 2.46 0.00 120 S 7.97 4.00 0.00 3.85 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 0.00 121 V 7.38 3.44 1.85 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 1.03 0.00 0.00 0.04 0.00 0.00 122 N 8.02 4.34 0.00 2.80 2.82 0.00 0.00 7.05 7.19 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 0.00 123 R 7.45 4.36 0.00 1.75 1.90 0.00 3.38 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 1.59 1.72 0.00 124 E 7.92 3.81 0.00 2.11 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 2.21 2.23 0.00 125 M 8.15 4.78 0.00 1.88 2.01 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.39 0.00 126 S 8.17 3.85 0.00 3.83 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 0.00 127 P 0.00 4.29 0.00 2.11 2.11 0.00 3.57 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.20 0.00 128 L 8.00 3.87 0.00 1.60 1.55 0.87 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 129 V 7.62 3.23 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.56 0.00 0.00 130 D 7.79 4.49 0.00 2.81 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 0.00 131 N 7.66 3.84 0.00 2.10 1.90 0.00 0.00 7.12 7.24 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 0.00 132 I 6.67 2.66 1.58 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 -0.02 0.73 0.00 0.00 133 A 7.57 3.91 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.55 3.91 0.00 1.75 1.61 1.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 135 W 7.65 4.38 0.00 2.36 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 0.00 136 M 8.12 4.63 0.00 2.08 2.31 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.26 0.00 137 T 8.17 4.05 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 138 E 8.58 4.14 0.00 2.22 2.14 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 2.44 2.64 0.00 139 Y 8.52 4.08 0.00 3.63 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 8.42 3.88 0.00 2.14 1.87 1.31 0.80 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 0.00 141 N 8.26 4.41 0.00 2.74 2.88 0.00 0.00 7.05 7.21 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 0.00 142 R 7.88 4.21 0.00 1.63 1.65 0.00 3.23 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 143 H 7.80 4.52 0.00 1.53 2.62 0.00 5.64 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 L 7.02 4.15 0.00 1.51 1.35 0.32 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 145 H 7.96 4.11 0.00 3.27 3.26 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 T 7.77 3.72 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 147 W 7.95 3.81 0.00 3.23 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 0.00 148 I 8.04 3.37 1.95 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.37 0.68 0.00 0.00 149 Q 8.25 3.88 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.83 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 150 D 7.84 4.37 0.00 2.47 2.45 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 0.00 151 N 7.00 4.45 0.00 2.11 2.72 0.00 0.00 7.26 8.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 G 7.64 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 G 8.26 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 0.00 154 W 8.38 4.11 0.00 1.82 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 0.00 155 D 8.35 4.45 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 0.00 156 A 8.08 3.99 1.52 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 0.00 0.00 157 F 7.55 3.18 0.00 1.60 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 0.00 158 V 7.71 3.46 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 0.87 0.00 0.00 1.08 0.00 0.00 159 E 8.37 4.01 0.00 2.05 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 2.27 2.30 0.00 160 L 7.76 3.98 0.00 1.72 1.69 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 161 Y 7.43 4.28 0.00 2.26 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 0.00 162 G 7.99 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 0.00 0.00 0.00 0.00 163 P 0.00 4.36 0.00 2.04 2.00 0.00 3.69 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.