NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 D 4.6305 8.2076 120.5316 53.0777 41.1539 175.4393 10 P 4.1634 0.0000 0.0000 63.1993 31.3744 175.5606 11 Q 4.3256 7.9286 117.8687 57.2481 29.3397 177.5086 12 H 4.6169 7.4678 115.6960 57.5994 31.7697 173.9989 13 A 3.8553 7.9913 121.2038 55.6557 18.6856 179.5480 14 A 3.9005 7.9083 118.4180 55.1624 18.5230 180.0270 15 R 3.8292 7.8510 116.1801 59.2062 30.3158 178.6715 16 L 3.8967 8.1089 120.3676 58.2740 41.8944 178.9182 17 L 3.9961 8.2576 118.9780 57.6162 42.2233 178.7191 18 R 3.9449 7.7552 118.5385 59.3239 30.1073 178.0866 19 A 3.7315 7.9477 120.5081 55.2991 18.2870 179.6549 20 L 3.6340 7.7626 117.0596 57.6507 41.1754 179.5264 21 S 4.1543 8.0628 113.1000 60.2898 62.0955 175.1085 22 S 4.4792 7.4208 115.0163 58.8764 63.2473 174.9150 23 F 5.1763 7.6562 120.8658 57.9306 39.4717 177.4090 24 R 3.8340 7.4581 117.1631 59.0050 29.5266 177.1560 25 E 3.8806 7.2006 117.7677 58.9550 29.9591 177.8025 *28 R 4.0846 7.6541 120.3082 56.0003 31.9059 176.5442 29 F 4.5171 7.8161 112.7665 57.3464 39.4228 175.4169 30 C 5.1006 8.0985 119.1414 58.6948 27.2511 172.8293 31 D 4.8184 8.6236 123.8270 53.8742 39.9146 175.8632 32 A 4.8058 7.6747 120.1754 51.2762 23.3267 174.4717 33 H 5.1812 9.3133 116.6447 53.8997 32.0213 173.0249 34 L 5.2636 8.7639 124.7922 53.3404 44.3107 174.9201 35 V 4.5477 8.0666 125.7501 60.0539 32.9863 175.3347 *40 E 5.0437 8.9083 123.5725 55.8139 30.6841 174.3842 *42 P 4.2348 0.0000 0.0000 62.9133 31.5672 175.3925 43 V 4.4323 8.6017 119.2395 60.2753 36.2318 174.2903 44 Q 4.8251 8.4092 119.3791 54.1772 29.7108 176.2048 45 K 3.9064 9.7540 128.0195 59.5414 32.0813 177.7459 46 N 4.2531 8.0392 114.9510 56.3425 37.5981 176.2617 47 I 3.6455 7.9009 122.0376 64.3087 37.0949 177.7397 48 L 3.9231 8.0003 119.9722 58.2200 41.7318 178.9069 49 A 4.0247 7.8214 119.1775 54.0733 18.4848 178.6955 50 A 4.1657 7.8963 118.1520 53.7892 18.9987 178.6272 51 A 4.5957 7.7364 117.6327 52.0276 20.1019 176.5500 52 S 4.6525 8.2225 111.9288 55.3574 63.8028 172.3175 53 P 4.3078 0.0000 0.0000 65.6467 30.7840 177.8264 54 Y 4.2350 7.9935 117.0185 61.0777 38.9451 178.0722 55 I 3.6790 7.8336 120.1451 63.8791 36.5994 178.4200 56 R 3.8493 8.2459 120.5239 59.6275 29.7005 178.3397 57 T 4.1110 7.5852 113.3088 65.1657 68.6729 176.0447 58 K 4.1975 7.2570 118.8081 54.2484 32.5870 176.6572 59 L 3.6054 7.6967 123.2579 54.4257 40.3901 176.1949 *71 Y 4.1753 8.7713 116.7919 57.9439 40.6865 173.5719 72 K 5.5028 7.8576 125.5126 52.7817 35.0317 176.9259 73 I 4.3055 8.3993 128.4690 59.3137 38.3251 174.9709 74 E 4.6380 8.7040 127.6856 55.3912 30.1790 176.4767 75 L 4.5199 8.5902 124.6743 53.5531 43.2409 176.4481 76 E 4.3756 8.8357 122.3628 56.1680 29.0890 175.7497 77 G 3.9160 8.9462 113.4457 46.3061 0.0000 171.8302 78 I 4.6661 7.5436 117.9543 59.0005 40.9651 175.6546 79 S 4.6514 8.3200 117.7757 57.2354 64.7329 174.8517 80 V 3.8444 7.9940 111.4801 62.1783 30.7675 177.2774 *82 V 3.8741 7.8265 117.1430 62.9870 32.2147 176.7423 *84 R 4.3738 7.7941 117.0409 55.4386 32.2903 177.5003 85 E 3.9745 8.3408 118.2438 59.2390 29.7229 178.8262 86 I 3.8795 7.6950 119.3488 64.2947 36.0860 178.0266 87 L 4.1063 8.1178 120.7532 58.0925 41.9522 178.1323 88 D 4.8283 7.7674 117.4514 56.7055 41.3046 177.5940 89 Y 4.2323 7.9205 121.5281 60.0983 38.5215 177.9309 90 I 3.2744 7.8316 119.9658 64.0443 37.3358 177.5464 91 F 4.4056 7.7384 115.8297 57.9292 39.0015 177.0406 92 S 4.6229 8.0165 113.4487 58.0456 64.1664 175.4228 93 G 3.9297 9.5430 109.8604 45.2940 0.0000 173.7397 94 Q 4.7838 7.5925 116.9542 54.5110 32.7701 174.1557 95 I 4.4558 8.3258 115.9639 59.7003 39.6645 175.8830 96 R 4.5195 7.9425 117.2415 53.3218 28.7660 173.7743 97 L 4.0020 7.3731 123.9159 55.2751 45.8735 176.2901 *99 E 4.0808 8.8835 121.2412 55.5888 31.7112 172.6900 100 D 4.4266 7.9208 118.1302 54.4397 40.2245 180.8241 *102 I 4.2319 8.3835 125.8889 60.2599 37.7351 177.8580 103 Q 4.1172 7.7790 118.4422 58.6433 27.8565 178.0724 104 D 4.9771 7.8349 119.8195 54.7616 41.0836 178.1703 105 V 3.5670 7.6277 119.0413 65.9038 31.5224 177.9282 106 V 3.6702 8.3341 118.0586 65.3816 30.8891 177.6825 107 Q 4.3887 7.8020 118.9946 58.4032 28.7401 178.2772 108 A 3.8862 8.5579 121.7967 54.9045 18.8225 178.9700 109 A 4.1318 7.9835 119.4404 55.8230 18.1824 179.3410 110 D 4.2992 7.8639 114.5363 57.2763 41.2661 178.1583 111 L 3.8308 7.0897 119.6950 58.0346 42.1262 178.4043 112 L 4.3553 8.6943 117.7578 54.4389 41.4370 177.7599 113 L 4.0537 7.6386 117.5597 55.5653 39.7249 174.9398 114 L 4.1470 7.3531 119.0909 55.3841 42.2761 177.2174 115 T 4.0997 8.4828 119.2929 64.8253 67.7056 175.9285 116 D 4.4293 8.0845 120.4907 57.1311 40.8833 178.8035 117 L 3.6551 7.8202 120.7585 57.8299 42.2045 178.6460 118 K 3.9539 8.1225 119.6013 59.5694 32.0066 179.0473 119 T 3.9830 7.7071 115.9117 66.4559 68.4746 176.5449 120 L 4.0061 7.9477 120.9875 57.8864 41.5993 179.3740 121 C 4.1786 8.1427 116.7464 62.9617 27.9966 175.7638 122 C 4.1276 8.4240 118.6212 63.0528 27.3625 175.9795 123 E 3.9123 8.4016 120.0757 59.6322 28.8671 179.3827 124 F 4.1778 8.0508 119.1988 60.5384 39.3739 176.7864 125 L 4.0100 7.8831 118.6618 57.1281 41.7579 178.4063 126 E 3.6855 8.5216 119.1388 58.8518 29.6116 177.9772 127 G 4.0023 7.5153 105.0606 45.4644 0.0000 173.1404 128 C 4.4582 8.6000 118.1462 58.3698 31.8429 174.0847 129 I 3.4887 7.2310 118.0896 61.3628 37.0758 174.4149 130 A 4.5127 7.9090 130.6814 53.5973 16.1759 177.6618 *133 N 4.6102 7.5809 113.9774 53.6954 39.8717 174.7949 134 C 4.6661 8.1857 112.5322 58.0917 31.8383 175.4864 135 I 4.2211 7.8666 121.0769 63.7250 37.2084 178.0601 136 G 3.4458 8.0276 105.9111 47.8392 0.0000 175.2113 137 I 3.8309 7.7755 121.6788 64.3696 36.7861 177.9349 138 R 3.6117 7.6963 119.2014 59.5507 29.2846 177.6440 139 D 4.7001 7.8942 117.3742 55.4059 41.3023 178.3689 140 F 4.4305 9.0146 122.2607 61.0142 39.5793 177.2876 141 A 4.1344 8.1824 119.7890 54.6049 18.1232 179.3192 142 L 3.8442 7.5477 119.7246 58.7173 42.1570 178.5165 143 H 4.3077 7.7617 115.5060 58.3736 30.0041 175.0440 144 Y 4.2390 7.3627 115.5487 56.8749 38.2865 175.1303 145 C 4.1312 8.0817 118.6525 60.1425 30.9227 173.1708 146 L 4.3685 8.1661 116.4008 53.8970 42.8847 177.4769 *148 H 4.6743 8.5519 119.7773 56.3576 31.5541 175.5793 149 V 3.6184 8.0480 117.0361 66.2865 31.3636 177.0605 150 H 4.2485 8.3810 117.8190 59.5966 29.6823 176.3529 151 Y 3.7728 8.2975 120.8125 60.6933 38.2311 177.1478 152 L 4.4806 8.3055 118.4118 55.7104 42.7607 177.1537 153 A 4.4554 8.7683 121.0876 54.9566 19.8499 179.2913 154 T 3.7607 7.6242 113.6409 66.7072 68.7139 175.4359 155 E 4.2841 7.6496 117.7068 56.7613 29.8726 176.3997 156 Y 4.4474 7.9179 118.7074 59.1433 40.4508 177.3218 157 L 4.0305 7.8438 120.7673 58.0490 42.2209 178.1454 158 E 3.9751 8.9670 119.2332 58.9909 29.4386 178.1178 159 T 4.3885 7.7292 113.6397 65.3417 69.9246 175.6057 160 H 4.6804 7.9431 116.4280 55.5314 28.8234 176.8405 161 F 4.1471 7.7725 126.8199 61.6592 38.9490 177.3321 162 R 3.8164 7.5936 120.6765 59.8706 29.6740 183.6565 163 D 4.6129 7.7245 118.3967 55.5901 41.5701 180.8283 164 V 3.9560 7.2850 117.1094 63.6380 30.8676 179.7922 *211 K 4.1152 8.8837 118.4704 55.1710 32.5517 176.6360 212 V 4.6481 8.2494 119.5459 60.1045 33.9985 173.4519 213 H 4.9485 8.1512 118.2406 55.8599 28.5276 175.2254 *215 K 4.2941 7.8221 122.1580 54.6588 34.5466 178.8696 216 D 4.5228 8.0547 119.6282 57.1355 40.7326 178.3447 217 V 3.6320 7.6928 115.9557 63.8498 31.5555 176.9908 *219 S 4.4113 8.1737 113.8750 58.2640 63.9609 175.3437 220 A 4.0217 7.9841 121.7608 55.2207 17.9574 179.1651 221 L 4.0872 9.0143 119.1941 57.3090 41.6098 179.4026 222 W 4.3858 8.3262 125.7351 60.7765 30.6545 177.2803 223 V 3.6858 8.1286 117.9021 66.2867 31.1240 178.0298 224 S 4.4534 8.7697 114.2415 58.3859 63.4882 170.5583 225 G 3.4940 8.4717 115.0268 44.9719 0.0000 171.4187 *228 S 4.1636 8.0358 118.5874 58.1025 63.9783 175.1969 229 S 4.6093 8.5975 122.2750 59.7525 63.3601 176.2036 *230 Y 3.9385 7.6175 125.2361 62.1110 36.6937 182.5151 231 L 4.2029 7.9905 123.3801 58.6516 42.2770 179.4149 232 R 4.1867 7.4657 120.4767 62.3795 29.3672 180.7135 233 E 4.4415 8.2927 121.8009 61.1691 29.9411 181.9571 234 Q 4.6746 8.4906 123.7711 56.6277 27.3887 179.9987 *236 L 3.9406 7.8725 123.6837 55.1043 44.2009 176.4984 237 N 4.7060 7.4414 114.6091 54.5736 39.8680 175.2832 238 E 4.0052 9.2307 116.2645 56.1868 30.1332 175.1683 239 P 4.3777 0.0000 0.0000 62.0582 32.4126 175.2435 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 D 8.21 4.63 0.00 2.73 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 10 P 0.00 4.16 0.00 2.25 2.21 0.00 3.76 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 1.99 2.01 0.00 11 Q 7.93 4.33 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 12 H 7.47 4.62 0.00 3.28 3.10 0.00 5.73 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 7.99 3.86 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 14 A 7.91 3.90 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 15 R 7.85 3.83 0.00 1.82 1.96 0.00 3.29 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 16 L 8.11 3.90 0.00 1.93 1.83 0.93 0.82 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 17 L 8.26 4.00 0.00 1.65 1.69 0.75 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 18 R 7.76 3.94 0.00 2.12 2.10 0.00 3.12 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 19 A 7.95 3.73 1.13 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 0.00 0.00 20 L 7.76 3.63 0.00 1.91 1.87 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.06 4.15 0.00 4.17 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 22 S 7.42 4.48 0.00 3.97 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 23 F 7.66 5.18 0.00 3.20 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 24 R 7.46 3.83 0.00 1.67 1.82 0.00 2.58 0.00 0.00 2.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.52 0.00 25 E 7.20 3.88 0.00 1.98 1.94 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 2.37 2.27 0.00 *28 R 7.65 4.08 0.00 1.51 1.50 0.00 2.96 0.00 0.00 2.99 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.64 0.00 29 F 7.82 4.52 0.00 2.98 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 30 C 8.10 5.10 0.00 2.95 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 31 D 8.62 4.82 0.00 2.67 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 32 A 7.67 4.81 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 33 H 9.31 5.18 0.00 3.22 3.22 0.00 5.59 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.76 5.26 0.00 1.82 1.57 1.09 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.07 4.55 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 0.78 0.00 0.00 0.95 0.00 0.00 *40 E 8.91 5.04 0.00 2.02 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 2.22 2.27 0.00 *42 P 0.00 4.23 0.00 2.24 2.21 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.04 0.00 43 V 8.60 4.43 2.18 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 0.91 0.00 0.00 1.02 0.00 0.00 44 Q 8.41 4.83 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.73 0.00 0.00 0.00 0.00 0.00 2.68 2.52 0.00 45 K 9.75 3.91 0.00 1.87 2.16 0.00 1.58 0.00 0.00 1.55 0.00 0.00 2.94 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.39 1.39 7.81 46 N 8.04 4.25 0.00 2.90 2.93 0.00 0.00 6.00 7.81 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 47 I 7.90 3.65 2.09 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 1.55 0.99 0.50 0.00 0.00 48 L 8.00 3.92 0.00 1.80 1.70 1.00 1.70 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 49 A 7.82 4.02 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 50 A 7.90 4.17 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 51 A 7.74 4.60 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 52 S 8.22 4.65 0.00 3.87 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 53 P 0.00 4.31 0.00 2.26 2.13 0.00 3.89 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 54 Y 7.99 4.24 0.00 2.90 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 55 I 7.83 3.68 2.02 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.67 0.90 0.00 0.00 56 R 8.25 3.85 0.00 1.98 2.01 0.00 3.21 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 57 T 7.59 4.11 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 1.20 0.00 0.00 58 K 7.26 4.20 0.00 1.60 1.84 0.00 1.34 0.00 0.00 1.50 0.00 0.00 2.13 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.29 1.19 7.81 59 L 7.70 3.61 0.00 1.60 0.76 0.73 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 *71 Y 8.77 4.18 0.00 3.18 2.91 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 72 K 7.86 5.50 0.00 1.51 1.55 0.00 1.74 0.00 0.00 2.36 0.00 0.00 2.81 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.24 0.86 7.81 73 I 8.40 4.31 1.95 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.35 0.93 0.00 0.00 74 E 8.70 4.64 0.00 1.87 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 75 L 8.59 4.52 0.00 1.70 1.68 1.01 1.12 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 76 E 8.84 4.38 0.00 2.02 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 2.31 2.42 0.00 77 G 8.95 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 78 I 7.54 4.67 1.92 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 1.73 0.75 0.95 0.00 0.00 79 S 8.32 4.65 0.00 3.99 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 80 V 7.99 3.84 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 0.71 0.00 0.00 0.95 0.00 0.00 *82 V 7.83 3.87 2.23 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 1.02 0.00 0.00 0.95 0.00 0.00 *84 R 7.79 4.37 0.00 2.05 2.02 0.00 3.19 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 85 E 8.34 3.97 0.00 2.23 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 2.32 2.49 0.00 86 I 7.69 3.88 1.95 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.47 1.04 0.00 0.00 87 L 8.12 4.11 0.00 1.81 1.78 1.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 88 D 7.77 4.83 0.00 2.86 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 89 Y 7.92 4.23 0.00 3.16 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 90 I 7.83 3.27 2.06 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.05 0.34 0.00 0.00 91 F 7.74 4.41 0.00 3.09 3.08 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 163 D 7.72 4.61 0.00 2.69 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 0.00 164 V 7.28 3.96 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 0.96 0.00 0.00 1.01 0.00 0.00 *211 K 8.88 4.12 0.00 1.84 1.63 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 212 V 8.25 4.65 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 0.95 0.00 0.00 0.93 0.00 0.00 213 H 8.15 4.95 0.00 3.14 3.23 0.00 5.63 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *215 K 7.82 4.29 0.00 1.80 1.77 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 216 D 8.05 4.52 0.00 2.97 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 0.00 217 V 7.69 3.63 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 0.99 0.00 0.00 0.97 0.00 0.00 *219 S 8.17 4.41 0.00 3.97 3.95 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 0.00 220 A 7.98 4.02 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 0.00 221 L 9.01 4.09 0.00 1.71 1.85 0.96 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 222 W 8.33 4.39 0.00 3.27 3.46 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 0.00 223 V 8.13 3.69 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 0.96 0.00 0.00 1.19 0.00 0.00 224 S 8.77 4.45 0.00 4.02 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 0.00 225 G 8.47 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 0.00 0.00 0.00 *228 S 8.04 4.16 0.00 4.05 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 0.00 229 S 8.60 4.61 0.00 4.07 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 0.00 *230 Y 7.62 3.94 0.00 2.34 2.33 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 0.00 231 L 7.99 4.20 0.00 1.62 1.75 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 232 R 7.47 4.19 0.00 2.04 1.85 0.00 3.33 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 233 E 8.29 4.44 0.00 1.97 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 2.24 2.20 0.00 234 Q 8.49 4.67 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.37 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 *236 L 7.87 3.94 0.00 1.60 1.77 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 237 N 7.44 4.71 0.00 2.69 2.83 0.00 0.00 6.97 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 0.00 238 E 9.23 4.01 0.00 1.99 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.26 0.00 239 P 0.00 4.38 0.00 2.25 2.21 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.00 0.00 * Residues marked with a * may have inaccurate shift predictions.