NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.4774 8.3101 120.0937 55.8883 34.1116 174.7736 4 A 4.1276 8.2475 123.5389 51.6575 19.5515 175.1352 5 K 5.1152 9.6681 122.6875 54.6177 35.9683 173.4498 6 I 5.0130 9.1614 125.9210 59.4821 40.1280 174.9884 7 G 4.3016 9.3087 115.5013 45.6086 0.0000 172.5655 8 I 5.1611 9.3740 124.5747 59.4270 40.9140 174.5220 9 V 4.6899 8.9225 128.1700 61.3793 33.9442 174.3569 10 T 4.8250 8.6305 125.8677 62.4191 70.0256 174.0618 11 V 4.7082 8.6377 128.2538 61.5287 32.6404 174.9997 12 S 4.7428 8.9500 122.8253 56.7528 65.6472 174.6890 13 D 4.4157 8.8531 125.1166 55.4669 39.8134 177.0151 14 R 4.2755 7.5531 118.6777 55.7475 30.2058 177.7649 15 A 3.9595 7.8671 123.7879 55.3290 18.2950 179.9345 16 S 4.1193 7.8927 108.2352 60.1213 63.8032 173.9858 17 A 4.2885 7.9863 126.0634 51.0756 18.4059 177.9850 18 G 3.7818 9.0348 113.0207 49.2770 0.0000 174.1492 19 I 3.9077 7.6905 109.9725 61.2870 37.7640 175.0572 20 Y 4.1108 7.7578 123.4775 57.5630 38.5404 174.8757 21 E 3.9344 8.2881 129.2448 55.5068 29.4359 176.6208 22 D 4.2330 8.0078 127.7542 53.0805 39.4022 175.8937 23 I 3.7255 7.5527 118.9378 63.2617 37.9525 178.4806 24 S 4.1907 8.1307 116.7250 61.4711 62.8392 176.4051 25 G 4.1650 8.8232 110.0485 47.2246 0.0000 175.4232 26 K 3.8193 8.0322 121.8995 59.1050 32.1609 178.5238 27 A 3.9634 8.1255 121.0319 55.2542 18.1384 179.6878 28 I 3.5658 7.7409 118.0229 64.6034 37.1804 178.5751 29 I 3.8756 7.8570 120.5144 64.7347 37.0118 178.2485 30 D 4.3349 8.4263 119.9006 57.6072 40.5627 179.0447 31 T 3.4875 7.8742 116.1749 66.5126 68.3906 176.7288 32 L 3.3038 7.7392 121.0231 57.6200 41.2865 179.2963 33 N 4.6633 8.3265 115.7641 56.6009 38.5391 176.8953 34 D 4.5266 7.6674 119.4341 57.3788 40.7837 178.1812 35 Y 4.3475 7.9580 117.3965 59.8064 37.9741 175.9355 36 L 4.9099 7.5176 118.9572 53.7408 42.9807 176.4751 37 T 4.6670 8.7935 113.3502 62.3547 70.4354 175.3397 38 S 4.5898 8.1556 116.0833 57.7540 64.5790 173.8823 39 E 4.4637 8.8136 121.1766 56.3653 30.1912 176.0607 40 W 5.7868 8.6144 120.2083 55.1852 31.9949 173.7804 41 E 4.4140 9.3117 120.1209 53.7070 32.2344 173.6976 42 P 5.1366 0.0000 0.0000 62.6672 32.9084 175.6335 43 I 4.5459 9.1431 124.0640 59.8371 39.6052 173.7908 44 Y 5.3310 8.7259 128.0623 55.8886 41.4653 174.6780 45 Q 4.2938 8.4073 124.1032 54.0958 33.5937 173.8038 46 V 4.6711 8.1305 123.3329 61.0637 33.2881 174.6185 47 I 4.8497 8.7966 121.1649 58.2350 41.3683 173.0929 48 P 5.4983 0.0000 0.0000 61.4181 32.3994 176.5876 49 D 4.6094 8.1004 120.8463 52.3514 38.2397 176.0661 50 E 4.5946 7.5447 120.9665 54.7078 32.7289 176.0018 51 Q 3.9427 8.7055 125.2158 59.5531 29.1993 177.9694 52 D 4.3472 8.1425 119.2010 57.4980 40.7677 179.0755 53 V 3.5649 7.6486 118.0096 65.9125 31.7054 177.7633 54 I 3.6612 7.6798 119.5854 64.6603 37.0222 178.1659 55 E 3.9763 8.3301 119.1950 59.7291 29.2975 179.5522 56 T 3.8716 8.0133 115.6580 66.9914 68.2974 176.8295 57 T 3.8747 7.8499 116.3903 66.5285 68.5590 176.5088 58 L 4.1360 7.7189 119.5870 57.8784 41.8924 179.3306 59 I 3.9001 7.8139 119.6439 64.1427 37.0254 179.0146 60 K 3.9919 7.9104 116.4290 57.2463 31.5813 177.9958 *62 A 4.2562 7.8330 120.7743 51.9078 20.2233 178.6480 63 D 4.5683 8.7257 114.4601 56.1828 41.3638 177.4725 64 E 4.4595 8.2268 116.9936 57.2045 30.0453 176.7747 65 Q 4.3478 7.9818 114.9871 54.8692 29.5023 174.8693 66 D 4.3119 8.0497 116.0686 55.0724 39.6829 173.2480 67 C 4.5813 7.4354 112.7090 59.6305 28.7554 174.1899 68 C 4.4096 8.9016 120.5841 60.4610 30.7740 173.3609 69 L 5.1784 7.8108 120.4307 53.3432 45.7148 174.8741 70 I 5.1335 9.0960 125.8468 59.6635 40.8166 174.7029 71 V 5.0894 9.0690 120.5764 59.6947 35.0196 174.8811 72 T 5.1700 8.7045 113.9191 60.2145 72.3003 172.8188 73 T 4.9304 9.1966 117.5451 61.6306 70.6105 174.0839 74 G 4.0807 8.3151 111.8668 46.6667 0.0000 172.6908 75 G 3.9732 9.0068 105.0810 47.3156 0.0000 174.8415 76 T 4.4000 7.9773 105.8438 60.7317 69.8113 173.8740 77 G 4.0554 8.2894 112.6615 44.0444 0.0000 171.9735 78 P 4.3508 0.0000 0.0000 64.2746 32.0535 176.6431 79 A 4.0768 7.8494 122.8705 51.8853 18.9290 177.7898 80 K 3.7708 8.8804 122.9637 59.7335 32.1857 178.2003 81 R 3.8968 7.8621 116.8980 58.7020 30.4838 175.8052 82 D 4.5853 8.1824 118.3305 54.1140 39.8363 176.4649 83 V 4.7375 7.9132 115.1361 59.9972 32.9518 178.1160 84 T 3.8777 8.1677 119.6159 66.3956 68.1107 174.7509 85 P 4.3547 0.0000 0.0000 65.4583 31.4094 178.4947 86 E 3.9438 8.1865 116.8711 59.3512 29.3713 179.0676 87 A 4.2586 8.1493 120.7834 55.4276 18.4314 179.8776 88 T 3.8022 7.9274 114.2057 66.8422 68.3265 176.7700 89 E 3.9583 8.3038 119.3906 59.3903 29.5420 178.9807 90 A 4.1159 7.8675 119.7989 55.0121 18.5254 179.4836 91 V 3.8972 7.4285 108.9128 62.3753 32.3928 176.8814 92 C 4.4969 7.4528 115.9664 59.4452 28.6312 173.2094 93 D 4.6787 8.7878 121.8196 53.8879 40.2370 175.9461 94 R 4.3846 7.3378 115.3883 55.0130 32.1262 173.2808 *97 P 4.6083 0.0000 0.0000 62.6773 33.2270 178.9612 98 G 3.6724 8.1536 105.3645 47.5399 0.0000 175.5113 99 F 3.9937 8.3886 118.9303 60.4856 39.1847 177.2819 100 G 3.8917 8.2369 103.4365 47.8871 0.0000 174.7787 101 E 4.1948 8.0211 120.5318 59.0900 29.4860 180.5627 102 L 4.2140 7.7186 118.9724 55.4736 42.2265 178.8492 *104 R 4.2081 8.0328 117.4601 55.7405 32.4376 177.7861 105 A 3.9551 8.0897 119.4496 55.2034 18.0377 179.3001 106 E 3.8646 8.2349 116.9521 59.5205 30.0100 178.7301 107 S 4.3657 8.0385 112.7759 61.2137 62.3617 175.6471 108 L 4.1568 8.0999 122.5845 57.6446 41.7989 178.3735 109 K 3.6294 7.2936 117.6079 58.7857 31.8738 177.2785 110 F 4.9509 7.8698 115.3162 57.8398 41.4666 176.3405 111 V 4.5658 7.4682 112.5577 58.0964 35.3475 174.7413 112 P 4.3940 0.0000 0.0000 65.2655 31.2047 178.0818 113 T 4.2253 7.8194 106.5744 62.1616 69.0884 175.7612 114 A 4.0374 8.0229 125.6315 55.7214 18.1257 179.4444 115 I 3.9103 7.2174 108.4665 62.9545 37.7838 177.5890 116 L 4.2236 7.7458 120.0574 55.2832 42.0310 176.9807 117 S 4.3737 7.5209 114.6018 58.5814 62.7493 173.5882 118 R 4.6281 8.8583 125.6864 55.9762 30.7743 176.3078 119 Q 4.0651 7.8684 118.6539 57.4498 29.4198 176.2975 120 T 4.7875 9.3074 116.8642 61.6327 71.3597 171.7050 121 A 4.8277 8.3197 120.2477 51.6224 22.2666 175.9633 122 G 3.9826 8.3610 105.8660 45.9637 0.0000 171.6983 123 L 5.2347 8.8444 119.6870 52.7303 44.7780 176.4341 124 R 4.8371 8.9387 124.2760 54.9629 32.0407 177.3900 125 G 3.8187 8.9004 118.3738 47.0172 0.0000 173.0409 126 D 4.6494 9.0264 122.2469 52.8969 39.9848 175.7132 127 S 4.7422 8.1013 118.1894 57.5541 64.6180 172.9243 128 L 4.6071 8.4722 127.6674 54.3153 43.5859 175.1765 129 I 4.9737 8.7624 127.2770 59.4777 40.1890 174.6416 130 V 4.5450 8.7401 126.9545 60.9687 34.6023 173.9613 131 N 5.4108 8.9438 126.0915 52.2718 38.2079 174.9685 132 L 4.7680 8.9455 124.8512 52.5057 44.7477 175.5808 133 P 4.7345 0.0000 0.0000 62.6070 33.1774 175.2001 134 G 3.9425 8.6315 104.7865 47.3640 0.0000 175.0667 135 K 4.3261 7.7111 119.3235 54.7131 34.2939 175.8785 136 P 4.2447 0.0000 0.0000 65.6867 31.2745 178.7081 137 K 3.8394 8.0149 117.6164 59.8793 32.0993 178.8471 138 S 4.1871 8.0096 114.7097 61.5245 62.6923 176.5981 139 I 3.7163 8.2288 123.0124 64.4342 36.8082 178.4832 140 R 3.8628 8.1085 119.4793 59.4753 29.8821 178.3976 141 E 4.0477 8.2655 118.5110 59.3647 29.4349 178.9561 142 C 4.1538 8.3869 118.8278 62.6031 31.6653 175.6143 143 L 4.2197 8.2926 120.8617 58.0861 41.0096 179.1933 144 D 4.5343 8.7562 119.2868 56.6228 40.7655 178.6738 145 A 4.1436 7.7168 120.1109 55.0194 18.8740 179.3837 146 V 3.9246 7.8900 109.8858 62.9092 32.2585 178.3834 147 F 4.1402 8.6496 121.0322 60.6733 39.1020 175.1930 148 P 4.1886 0.0000 0.0000 64.7548 31.4001 177.3237 149 A 4.3457 7.8746 119.1686 53.0144 18.8838 179.4313 150 I 3.6247 7.5893 119.4302 63.7901 37.1667 176.2464 151 P 4.0222 0.0000 0.0000 65.9884 31.0618 177.9665 152 Y 4.3204 7.8742 117.4754 60.6639 38.5032 177.3186 153 C 3.9105 7.5505 119.0877 62.3998 31.9763 175.3909 154 I 3.7641 7.9982 121.6587 64.4287 36.4877 177.7705 155 D 4.4497 7.9583 118.8017 57.4258 41.0598 181.5256 156 L 4.1037 7.3641 119.1773 54.0927 41.2782 177.5088 *158 E 4.1510 8.1068 114.4868 56.1404 31.0833 176.5717 159 G 4.0638 7.7192 109.6866 43.0292 0.0000 172.4174 160 P 4.2684 0.0000 0.0000 63.0182 31.4627 175.8224 161 Y 4.2138 8.4252 121.9654 56.4110 37.9431 174.7162 162 L 4.2768 8.0342 127.8749 54.4574 42.7368 176.4769 163 E 4.8730 9.1313 122.8046 54.7867 32.3782 174.9466 164 C 5.2647 8.6075 120.4187 57.7283 32.0096 173.6622 165 N 4.6202 9.1984 120.9121 53.1931 38.3872 175.6393 166 E 4.8736 9.1611 125.3788 57.6444 29.8372 178.4104 167 A 4.1558 8.2179 121.6170 53.8540 18.8065 178.3031 168 V 4.2230 7.9982 114.8850 64.0108 33.3685 175.7241 169 I 4.4074 7.1794 117.1151 59.6218 40.5452 173.2344 170 K 4.5677 8.1575 126.0749 53.3613 32.4076 173.8595 171 P 4.6161 0.0000 0.0000 62.6181 32.3529 175.4229 172 F 4.7570 8.8035 124.4642 56.7009 41.0763 175.1884 173 R 3.8931 7.2116 123.9278 53.3404 33.1263 173.5161 174 P 3.9813 0.0000 0.0000 62.7089 31.6005 176.0676 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 3 K 8.31 4.48 0.00 1.70 1.91 0.00 1.88 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.55 1.50 7.81 4 A 8.25 4.13 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.67 5.12 0.00 1.76 1.78 0.00 1.71 0.00 0.00 1.93 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.49 7.81 6 I 9.16 5.01 2.24 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.94 1.03 0.00 0.00 7 G 9.31 4.30 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 0.00 8 I 9.37 5.16 2.18 0.00 0.00 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 1.26 1.21 1.13 0.00 0.00 9 V 8.92 4.69 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.92 0.00 0.00 10 T 8.63 4.83 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 1.45 0.00 0.00 11 V 8.64 4.71 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 0.70 0.00 0.00 0.92 0.00 0.00 12 S 8.95 4.74 0.00 3.83 3.50 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 13 D 8.85 4.42 0.00 2.74 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 14 R 7.55 4.28 0.00 0.90 1.59 0.00 2.95 0.00 0.00 3.09 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.35 0.00 15 A 7.87 3.96 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 16 S 7.89 4.12 0.00 3.98 3.99 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 17 A 7.99 4.29 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 18 G 9.03 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 0.00 0.00 0.00 19 I 7.69 3.91 1.90 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 1.34 0.70 0.93 0.00 0.00 20 Y 7.76 4.11 0.00 2.93 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 21 E 8.29 3.93 0.00 1.82 1.66 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 2.18 2.19 0.00 22 D 8.01 4.23 0.00 2.94 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 23 I 7.55 3.73 1.82 0.00 0.00 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 1.59 0.55 0.87 0.00 0.00 24 S 8.13 4.19 0.00 4.09 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 25 G 8.82 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 0.00 0.00 0.00 26 K 8.03 3.82 0.00 1.90 1.91 0.00 1.46 0.00 0.00 1.54 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.57 7.81 27 A 8.13 3.96 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 28 I 7.74 3.57 2.08 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.87 0.94 0.00 0.00 29 I 7.86 3.88 1.85 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.86 0.95 0.00 0.00 30 D 8.43 4.33 0.00 2.67 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 31 T 7.87 3.49 4.04 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 0.28 0.00 0.00 32 L 7.74 3.30 0.00 1.57 0.68 0.68 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.33 4.66 0.00 2.99 2.98 0.00 0.00 7.10 8.75 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 34 D 7.67 4.53 0.00 2.75 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 35 Y 7.96 4.35 0.00 2.75 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.52 4.91 0.00 1.57 1.60 -0.05 0.86 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 37 T 8.79 4.67 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 1.27 0.00 0.00 38 S 8.16 4.59 0.00 4.03 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 0.00 39 E 8.81 4.46 0.00 2.03 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 2.45 2.37 0.00 40 W 8.61 5.79 0.00 3.57 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 41 E 9.31 4.41 0.00 1.90 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 2.08 2.15 0.00 42 P 0.00 5.14 0.00 2.10 2.14 0.00 3.22 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.54 0.00 43 I 9.14 4.55 1.95 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 1.16 0.93 1.00 0.00 0.00 44 Y 8.73 5.33 0.00 2.91 2.81 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 45 Q 8.41 4.29 0.00 1.83 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.54 0.00 0.00 0.00 0.00 0.00 2.21 2.39 0.00 46 V 8.13 4.67 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 0.88 0.00 0.00 0.81 0.00 0.00 47 I 8.80 4.85 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.75 0.85 0.00 0.00 48 P 0.00 5.50 0.00 2.05 2.06 0.00 3.07 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.89 0.00 49 D 8.10 4.61 0.00 2.77 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 50 E 7.54 4.59 0.00 1.97 1.86 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 2.26 2.29 0.00 51 Q 8.71 3.94 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.86 0.00 0.00 0.00 0.00 0.00 2.55 2.46 0.00 52 D 8.14 4.35 0.00 2.71 2.71 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 1.44 1.64 7.81 *62 A 7.83 4.26 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 D 8.73 4.57 0.00 2.75 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 64 E 8.23 4.46 0.00 2.13 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 2.25 2.25 0.00 65 Q 7.98 4.35 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.40 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 66 D 8.05 4.31 0.00 2.77 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 67 C 7.44 4.58 0.00 3.01 3.11 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 68 C 8.90 4.41 0.00 3.02 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.81 5.18 0.00 1.73 1.51 0.98 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 70 I 9.10 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5.41 0.00 2.72 2.78 0.00 0.00 6.89 8.37 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 0.00 132 L 8.95 4.77 0.00 1.74 1.63 0.98 0.79 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 0.00 133 P 0.00 4.73 0.00 2.21 2.25 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 134 G 8.63 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 0.00 0.00 0.00 0.00 135 K 7.71 4.33 0.00 1.82 1.73 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.54 7.81 136 P 0.00 4.24 0.00 2.13 2.09 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.29 0.00 137 K 8.01 3.84 0.00 1.77 1.77 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.43 7.81 138 S 8.01 4.19 0.00 4.06 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 0.00 139 I 8.23 3.72 2.01 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 1.44 0.84 0.91 0.00 0.00 140 R 8.11 3.86 0.00 1.90 2.04 0.00 3.15 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 141 E 8.27 4.05 0.00 2.27 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 0.00 2.39 2.40 0.00 142 C 8.39 4.15 0.00 3.17 3.18 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 0.00 143 L 8.29 4.22 0.00 1.88 1.93 0.81 1.50 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 0.00 144 D 8.76 4.53 0.00 2.87 2.81 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 0.00 145 A 7.72 4.14 1.40 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 0.00 0.00 146 V 7.89 3.92 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 0.73 0.00 0.00 1.22 0.00 0.00 147 F 8.65 4.14 0.00 3.39 2.97 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 0.00 148 P 0.00 4.19 0.00 2.20 2.24 0.00 3.69 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 2.17 2.06 0.00 149 A 7.87 4.35 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 0.00 150 I 7.59 3.62 1.09 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.84 0.65 0.00 0.00 151 P 0.00 4.02 0.00 1.98 1.89 0.00 3.31 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.88 0.00 152 Y 7.87 4.32 0.00 3.13 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 C 7.55 3.91 0.00 3.12 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 0.00 154 I 8.00 3.76 1.90 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.53 0.92 0.00 0.00 155 D 7.96 4.45 0.00 2.63 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 L 7.36 4.10 0.00 1.51 1.51 0.57 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 *158 E 8.11 4.15 0.00 1.98 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 0.00 2.20 2.30 0.00 159 G 7.72 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 P 0.00 4.27 0.00 2.26 2.15 0.00 3.78 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 161 Y 8.43 4.21 0.00 2.95 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 0.00 162 L 8.03 4.28 0.00 1.57 1.61 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 163 E 9.13 4.87 0.00 2.00 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 2.48 2.56 0.00 164 C 8.61 5.26 0.00 2.84 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 0.00 165 N 9.20 4.62 0.00 2.78 2.91 0.00 0.00 7.47 7.47 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 0.00 166 E 9.16 4.87 0.00 2.01 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 2.28 0.00 167 A 8.22 4.16 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 0.00 168 V 8.00 4.22 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 0.98 0.00 0.00 1.03 0.00 0.00 169 I 7.18 4.41 1.26 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.83 0.52 0.00 0.00 170 K 8.16 4.57 0.00 1.74 1.73 0.00 1.81 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.37 7.81 171 P 0.00 4.62 0.00 2.01 2.01 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 172 F 8.80 4.76 0.00 2.96 2.92 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 0.00 173 R 7.21 3.89 0.00 1.40 1.55 0.00 3.13 0.00 0.00 3.29 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.49 0.00 174 P 0.00 3.98 0.00 2.07 2.05 0.00 2.20 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.67 0.00 * Residues marked with a * may have inaccurate shift predictions.