NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 4.0958 8.5798 109.1320 45.5508 0.0000 177.0234 *2 E 4.2383 8.8675 125.1153 56.0926 30.9748 176.9153 3 N 4.8867 8.0267 114.1954 51.8465 38.5300 179.9748 4 K 4.6172 7.6195 118.1335 57.3776 34.0958 175.7870 5 K 5.3328 8.8965 120.3840 53.5482 37.1546 174.3793 *7 N 4.9321 8.4793 117.8009 54.0210 40.2685 173.0498 8 L 5.1919 9.0401 126.5321 52.9478 44.7380 175.2843 9 L 4.8909 9.0304 126.8247 53.7078 43.4924 175.3598 10 L 4.6100 8.6549 131.0102 54.3151 41.9633 176.2932 11 F 4.5567 8.9930 130.6115 60.1394 40.6536 176.4879 12 S 4.7374 8.3431 114.3568 58.5667 63.3387 174.4580 13 G 4.0515 8.5582 111.8110 45.4326 0.0000 173.2375 14 D 4.9992 7.9236 119.3730 52.4488 43.4321 175.9037 15 Y 4.0113 9.2138 126.1695 61.1162 38.8661 178.6943 16 D 4.4486 8.2532 119.3811 56.4252 39.6674 178.5200 17 K 4.0229 8.0765 119.2787 59.0471 32.2016 178.9659 18 A 3.9867 8.2912 121.4279 54.9586 18.2258 179.3623 19 L 3.7496 8.0622 118.7893 58.2310 42.1180 178.9753 20 A 4.0182 8.0139 120.8766 55.2805 18.2513 179.7229 21 S 4.0745 8.2048 112.6868 61.6712 62.9600 176.6083 22 L 4.0930 8.1336 122.2243 56.7728 41.4492 179.3784 23 I 3.6867 8.1150 120.5808 64.4162 37.0008 178.4004 24 I 3.6704 7.9594 120.4215 64.3926 36.8988 178.4527 25 A 3.9578 8.2135 121.7234 55.1579 18.2027 179.4866 26 N 4.2382 8.4414 114.9669 56.3586 38.4114 177.4915 27 A 3.9749 7.7731 120.7858 54.9716 18.7631 179.1038 28 A 4.0870 8.1847 119.3961 55.5989 18.2729 179.9670 29 R 3.9214 7.8861 115.0174 59.2529 30.3648 180.4727 30 E 4.2194 7.9383 118.7465 55.8664 29.3622 177.5846 *32 E 4.2576 7.9592 115.2888 55.9200 31.2801 175.9824 33 I 4.1554 7.6372 120.6321 61.0670 37.8239 175.8790 34 E 4.1653 8.8717 127.0539 56.3148 30.7016 175.9605 35 V 4.4358 8.3940 123.6441 61.2790 34.8644 173.9073 36 T 4.9888 8.5499 123.6347 61.8052 71.6476 172.8449 37 I 4.8581 8.6810 127.7001 59.6012 39.9125 174.6737 38 F 5.2553 9.4556 131.7635 57.2821 40.2549 174.1531 39 C 5.0686 9.0221 125.1431 58.7003 29.2216 173.4690 40 A 4.3889 8.4044 124.1965 50.0947 23.0108 178.0332 41 F 2.9282 8.4098 119.8207 57.9865 39.3545 180.0718 42 W 4.4878 7.1217 132.5852 60.3254 28.5242 177.5115 43 G 3.7410 8.1027 105.8574 47.0540 0.0000 175.5253 44 L 3.9882 7.8922 121.2906 57.8267 41.3887 179.4335 45 L 3.9161 8.0333 118.9114 57.4577 41.2342 179.0408 46 L 3.9454 7.6659 119.6203 57.6648 42.3712 178.0645 47 L 4.4861 7.6781 116.6712 53.7260 41.9840 176.5586 48 R 3.8583 6.8544 119.6355 55.7234 30.8481 175.5645 49 D 4.1343 8.1761 123.0647 51.5055 41.4566 175.1680 50 P 4.2159 0.0000 0.0000 65.7998 31.4529 177.7708 51 E 4.1398 7.9476 117.7335 57.9098 29.5990 177.0393 52 K 4.5625 7.7468 118.5280 56.1004 32.9774 176.2029 53 A 4.2710 7.9060 120.9835 53.3964 19.4247 177.2088 54 S 4.6465 8.2740 112.8909 57.6395 65.5286 174.1590 55 Q 4.5428 8.5754 123.9841 56.0140 29.6184 176.0872 56 E 4.0377 8.0996 115.5425 56.6698 30.1884 181.1235 57 D 4.4556 8.6944 124.4586 54.3225 37.9607 172.9858 58 K 4.7417 7.4000 117.2089 53.4649 36.4993 177.2056 59 S 4.3998 8.9205 117.0903 58.0729 64.8584 175.7198 60 L 3.9083 8.2329 121.4953 58.1197 41.2967 179.1324 61 Y 4.2188 7.8196 116.1408 61.3344 37.7524 178.6531 62 E 3.9269 8.2167 119.0269 59.4458 29.5438 179.3695 63 Q 3.9930 8.2901 117.8527 58.9403 28.8368 178.8448 64 A 4.0040 8.3114 121.9235 55.1235 18.3500 179.3336 65 F 4.0562 8.4894 119.2760 61.6121 39.2518 177.2824 66 S 4.2839 8.2158 111.4373 61.6944 62.3103 176.0327 67 S 4.2913 8.1676 116.8176 61.0001 62.6841 175.8366 68 L 4.3530 7.8436 119.9139 54.6563 42.0039 176.8430 69 T 4.3294 6.6841 108.7102 58.8493 70.5170 172.7462 70 P 4.3176 0.0000 0.0000 63.6826 31.5070 176.9360 71 R 4.2554 9.0887 121.5674 56.7285 30.8484 175.7318 72 E 4.5672 7.5957 114.3167 55.0124 32.2034 175.9252 73 A 3.9878 8.6992 122.3570 55.5102 18.3278 179.7431 74 E 4.2998 8.1852 114.5112 58.8749 29.8276 177.0621 75 E 4.3764 8.0985 116.2235 56.5356 29.9687 176.5433 76 L 4.3382 7.8395 120.4160 54.2400 42.2694 175.5662 77 P 4.6643 0.0000 0.0000 62.3162 32.9878 175.6308 78 L 4.7242 8.7580 121.5778 54.6996 41.6698 178.0352 79 S 4.4214 9.7040 117.5737 61.1291 63.2005 175.3516 80 K 4.4439 7.4171 118.7687 55.7445 33.1384 174.0851 *82 N 4.5217 8.4712 128.2400 53.5276 41.2952 175.0977 83 L 3.6052 8.7394 116.3413 55.3187 38.0396 177.6759 84 G 3.9674 7.9768 106.1850 45.5796 0.0000 174.0866 85 G 4.0502 8.1820 107.7122 45.4550 0.0000 176.1923 86 I 3.8951 7.3796 121.0844 64.1266 37.3471 178.1671 87 G 3.6828 7.8469 104.9062 47.2012 0.0000 175.3099 88 K 4.1165 8.0591 124.1336 59.7819 32.1259 180.1986 89 K 4.0331 7.5239 121.3408 57.2820 31.5362 179.9976 *91 L 4.4339 7.8304 123.2426 56.0084 43.6542 178.0032 92 L 4.0979 8.0035 117.4731 57.7667 42.0813 178.1238 93 E 4.1569 7.7152 120.7139 55.5149 27.5144 176.2999 *96 K 4.2389 7.9781 123.7318 56.0231 34.4387 177.4189 97 E 3.9817 8.1459 117.0508 59.1847 29.8467 177.7315 98 E 4.3396 8.1777 115.5096 55.4262 30.1652 176.0806 99 K 4.1785 7.7127 117.1986 57.1246 30.2016 175.2596 100 A 4.3274 7.2753 119.5221 50.7294 19.2042 176.8675 101 P 4.4637 0.0000 0.0000 61.9176 32.3612 177.3134 102 K 4.2768 8.4352 120.6936 56.1020 33.9741 177.8845 103 L 3.7706 8.5443 123.4288 58.6910 41.8501 179.8691 104 S 4.1019 8.5683 113.8964 61.5088 62.8455 176.2488 105 D 4.3584 8.0283 122.0805 57.0710 40.6172 178.4559 106 L 3.9778 8.0963 119.6697 57.5661 41.5644 179.3775 107 L 3.9109 8.1190 120.5745 58.0311 42.0392 179.0292 108 S 4.0602 8.0832 115.2942 61.4850 62.7854 176.7760 109 G 3.6777 8.1858 108.0852 48.0052 0.0000 175.5021 110 A 4.1355 8.2492 123.7450 54.8076 18.4643 180.0029 111 R 4.0172 8.1680 116.6517 59.4133 29.9055 179.4587 112 K 4.0465 7.9508 117.2998 59.0226 32.1205 178.6801 113 K 4.2316 8.0174 115.8830 55.5232 32.5250 176.4166 114 E 3.7409 7.9969 117.6158 56.9171 27.3837 175.1469 115 V 3.5034 7.5971 117.9316 63.2995 32.5310 175.4945 116 K 4.1631 8.6056 127.5409 55.4735 33.4556 175.5066 117 F 5.1372 8.4326 124.0659 55.9019 41.4427 174.4369 118 Y 5.4193 9.1870 120.7445 55.3313 41.4111 174.6043 119 A 4.6602 8.7971 122.8525 52.5338 21.6499 178.6816 *121 Q 4.1374 8.8427 116.0374 58.1805 30.7756 176.8718 122 L 4.0284 7.7999 118.5437 58.2284 41.8282 178.9763 123 S 3.5596 7.5424 113.6402 61.2353 63.0558 176.1412 124 V 3.7379 7.5732 120.4002 66.1232 31.0040 177.7932 125 E 4.0312 7.9223 116.7496 59.3915 29.3714 179.7743 126 I 3.7058 7.4220 114.6268 62.2542 36.8010 177.0068 *128 G 3.7122 7.7680 106.8199 44.7557 0.0000 173.4914 129 F 4.7684 7.1918 117.5899 57.1924 39.6870 175.4732 130 K 4.4351 9.1630 124.5013 54.9992 33.5857 177.6961 131 K 3.7716 9.0376 125.4182 60.5414 31.9285 179.4657 132 E 4.1098 8.1169 112.0254 58.3888 29.8337 179.3061 133 E 4.4674 8.0985 115.2220 57.4290 29.8984 176.4220 134 L 4.6899 7.2118 118.3540 52.0993 44.3583 176.1852 135 F 4.3163 7.6524 118.8223 57.1564 39.3260 175.3999 136 P 4.3188 0.0000 0.0000 65.6702 31.2077 177.0919 137 E 4.2431 8.1200 114.1793 56.7253 30.1160 176.7449 138 V 4.0584 7.5772 120.6193 63.3652 32.4592 175.0559 139 Q 4.8855 8.6370 125.5040 54.2175 31.6669 175.5351 140 I 4.8660 8.6685 123.8955 60.2128 38.7913 174.6164 *142 D 4.5806 8.3835 122.8664 52.9202 40.4638 176.8773 143 V 3.7257 8.1968 118.4310 64.7497 31.2204 178.4916 144 K 3.9751 8.1122 118.9686 59.2530 31.9443 178.9624 145 E 3.8616 8.5456 119.1152 59.1785 29.3531 178.3918 146 Y 3.6563 7.5578 119.6576 60.7308 38.5743 178.5254 147 L 3.5177 7.8854 119.6906 57.3139 41.7693 179.3936 148 K 3.7818 7.9258 119.5876 59.4272 31.9206 178.3765 149 N 4.1495 7.7238 115.6271 56.5815 39.1845 176.3223 150 A 3.9554 7.9079 122.4218 55.1905 18.1776 179.6820 151 L 3.9482 7.8229 116.5481 57.5731 41.7380 178.8632 152 E 4.1893 7.7326 116.1969 56.6488 29.8239 176.9577 153 S 4.6359 7.0511 115.3213 57.6169 64.3217 173.7222 154 D 4.6127 8.6828 121.7303 55.2461 41.3890 177.2673 155 L 4.7466 7.7024 119.6089 53.1227 44.7663 175.0505 156 Q 4.9882 8.7084 123.8319 54.3040 32.0615 174.5599 157 L 5.0183 8.9514 122.4645 52.9521 46.7344 175.0201 158 F 5.1979 9.0095 123.2343 56.5628 41.6866 175.0691 159 I 4.3042 8.4355 126.4153 61.4619 37.6234 175.5023 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 0 G 8.58 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 *2 E 8.87 4.24 0.00 2.15 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 0.00 2.26 2.26 0.00 3 N 8.03 4.89 0.00 2.75 2.72 0.00 0.00 6.74 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 4 K 7.62 4.62 0.00 1.67 1.75 0.00 1.59 0.00 0.00 1.81 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.41 7.81 5 K 8.90 5.33 0.00 1.63 1.68 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.18 7.81 *7 N 8.48 4.93 0.00 2.92 2.78 0.00 0.00 6.75 6.66 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 8 L 9.04 5.19 0.00 1.65 1.59 0.94 0.22 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 9 L 9.03 4.89 0.00 1.83 1.54 0.62 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.65 4.61 0.00 1.87 1.59 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 11 F 8.99 4.56 0.00 2.68 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 12 S 8.34 4.74 0.00 4.04 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 13 G 8.56 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 14 D 7.92 5.00 0.00 2.74 2.87 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 15 Y 9.21 4.01 0.00 3.26 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 16 D 8.25 4.45 0.00 2.98 3.02 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 0.00 0.00 0.00 17 K 8.08 4.02 0.00 1.87 1.95 0.00 1.75 0.00 0.00 1.91 0.00 0.00 3.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.58 1.55 7.81 18 A 8.29 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 19 L 8.06 3.75 0.00 1.75 1.82 0.89 1.59 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 20 A 8.01 4.02 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 21 S 8.20 4.07 0.00 4.10 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 22 L 8.13 4.09 0.00 1.71 1.76 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 23 I 8.12 3.69 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.78 0.92 0.00 0.00 24 I 7.96 3.67 2.01 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 1.47 0.75 0.92 0.00 0.00 25 A 8.21 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 26 N 8.44 4.24 0.00 2.85 2.87 0.00 0.00 6.91 7.41 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 27 A 7.77 3.97 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 A 8.18 4.09 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.89 3.92 0.00 1.93 2.00 0.00 3.52 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.78 0.00 30 E 7.94 4.22 0.00 2.11 1.97 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 2.34 2.49 0.00 *32 E 7.96 4.26 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 2.21 2.34 0.00 33 I 7.64 4.16 1.98 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.46 0.94 0.00 0.00 34 E 8.87 4.17 0.00 1.95 1.87 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 2.32 2.25 0.00 35 V 8.39 4.44 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 0.94 0.00 0.00 0.93 0.00 0.00 36 T 8.55 4.99 4.35 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 1.60 0.00 0.00 37 I 8.68 4.86 1.68 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 1.07 0.60 1.02 0.00 0.00 38 F 9.46 5.26 0.00 3.31 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 39 C 9.02 5.07 0.00 2.76 2.87 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 40 A 8.40 4.39 1.25 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 0.00 0.00 41 F 8.41 2.93 0.00 2.36 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 42 W 7.12 4.49 0.00 3.62 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 43 G 8.10 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 44 L 7.89 3.99 0.00 1.88 1.74 0.97 0.52 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 45 L 8.03 3.92 0.00 1.85 1.74 1.12 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.67 3.95 0.00 1.69 1.82 0.89 1.06 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 47 L 7.68 4.49 0.00 1.68 1.58 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 48 R 6.85 3.86 0.00 1.56 1.55 0.00 2.69 0.00 0.00 3.06 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.04 0.00 49 D 8.18 4.13 0.00 1.86 2.22 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 50 P 0.00 4.22 0.00 2.18 2.12 0.00 3.76 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 1.97 2.10 0.00 51 E 7.95 4.14 0.00 2.08 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 2.34 2.40 0.00 52 K 7.75 4.56 0.00 1.97 1.91 0.00 1.42 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.30 1.21 7.81 53 A 7.91 4.27 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 54 S 8.27 4.65 0.00 3.75 3.70 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 0.00 0.00 0.00 0.00 55 Q 8.58 4.54 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 56 E 8.10 4.04 0.00 2.03 1.76 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 2.26 2.15 0.00 57 D 8.69 4.46 0.00 2.76 2.70 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 0.00 0.00 0.00 0.00 58 K 7.40 4.74 0.00 1.69 1.72 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.35 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.31 1.39 7.81 59 S 8.92 4.40 0.00 4.06 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 60 L 8.23 3.91 0.00 1.47 1.59 0.82 0.74 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 61 Y 7.82 4.22 0.00 2.99 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 E 8.22 3.93 0.00 2.21 1.93 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 2.18 2.31 0.00 63 Q 8.29 3.99 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 64 A 8.31 4.00 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 65 F 8.49 4.06 0.00 3.24 3.16 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 66 S 8.22 4.28 0.00 4.04 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 67 S 8.17 4.29 0.00 3.90 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 68 L 7.84 4.35 0.00 1.70 1.69 0.99 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 69 T 6.68 4.33 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 0.41 0.00 0.00 70 P 0.00 4.32 0.00 2.07 2.10 0.00 3.65 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 2.04 2.12 0.00 71 R 9.09 4.26 0.00 1.82 1.93 0.00 3.18 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 72 E 7.60 4.57 0.00 2.10 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 2.22 2.28 0.00 73 A 8.70 3.99 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 74 E 8.19 4.30 0.00 2.00 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 2.36 2.48 0.00 75 E 8.10 4.38 0.00 2.16 1.97 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 2.32 2.28 0.00 76 L 7.84 4.34 0.00 1.78 1.83 0.93 1.09 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 77 P 0.00 4.66 0.00 2.08 2.14 0.00 3.93 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.94 0.00 78 L 8.76 4.72 0.00 1.53 1.77 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 79 S 9.70 4.42 0.00 3.95 4.12 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 80 K 7.42 4.44 0.00 1.84 1.82 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.32 1.43 7.81 *82 N 8.47 4.52 0.00 2.82 2.86 0.00 0.00 7.28 6.66 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 83 L 8.74 3.61 0.00 1.73 1.63 0.92 0.87 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 84 G 7.98 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 0.00 0.00 0.00 85 G 8.18 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 86 I 7.38 3.90 2.05 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 1.44 0.43 0.89 0.00 0.00 87 G 7.85 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 88 K 8.06 4.12 0.00 1.87 1.87 0.00 1.57 0.00 0.00 1.67 0.00 0.00 2.53 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.06 7.81 89 K 7.52 4.03 0.00 1.84 1.78 0.00 1.89 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.38 1.33 7.81 *91 L 7.83 4.43 0.00 1.59 1.86 0.96 1.12 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 92 L 8.00 4.10 0.00 1.77 1.68 0.77 1.16 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 93 E 7.72 4.16 0.00 2.11 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 0.00 2.29 2.28 0.00 *96 K 7.98 4.24 0.00 2.03 2.00 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.48 7.81 97 E 8.15 3.98 0.00 2.02 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 2.39 0.00 98 E 8.18 4.34 0.00 2.00 1.97 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 2.35 2.27 0.00 99 K 7.71 4.18 0.00 1.92 1.89 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.37 7.81 100 A 7.28 4.33 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 0.00 101 P 0.00 4.46 0.00 2.06 2.00 0.00 3.70 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 102 K 8.44 4.28 0.00 1.85 2.02 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.63 1.56 7.81 103 L 8.54 3.77 0.00 0.78 1.31 0.71 0.40 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 0.00 104 S 8.57 4.10 0.00 4.10 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 0.00 105 D 8.03 4.36 0.00 2.84 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 0.00 106 L 8.10 3.98 0.00 1.79 1.70 0.89 0.34 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 0.00 107 L 8.12 3.91 0.00 1.74 1.72 0.48 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.08 4.06 0.00 4.00 3.83 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 0.00 109 G 8.19 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 0.00 110 A 8.25 4.14 1.54 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 0.00 0.00 111 R 8.17 4.02 0.00 1.90 1.99 0.00 2.21 0.00 0.00 2.63 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.49 0.00 112 K 7.95 4.05 0.00 1.88 1.86 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.59 7.81 113 K 8.02 4.23 0.00 1.72 1.82 0.00 2.03 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.63 7.81 114 E 8.00 3.74 0.00 2.14 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 2.24 2.22 0.00 115 V 7.60 3.50 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 -0.09 0.00 0.00 0.86 0.00 0.00 116 K 8.61 4.16 0.00 1.70 1.33 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.33 7.81 117 F 8.43 5.14 0.00 2.85 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 0.00 118 Y 9.19 5.42 0.00 3.20 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 0.00 119 A 8.80 4.66 1.04 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 0.00 0.00 *121 Q 8.84 4.14 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.71 6.85 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 122 L 7.80 4.03 0.00 1.76 1.55 0.87 0.98 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 0.00 123 S 7.54 3.56 0.00 3.52 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 0.00 124 V 7.57 3.74 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 1.12 0.00 0.00 0.91 0.00 0.00 125 E 7.92 4.03 0.00 2.04 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 2.30 2.44 0.00 126 I 7.42 3.71 1.56 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.40 0.64 0.00 0.00 *128 G 7.77 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 0.00 129 F 7.19 4.77 0.00 3.10 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 0.00 130 K 9.16 4.44 0.00 1.93 1.73 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.24 7.81 131 K 9.04 3.77 0.00 1.84 1.85 0.00 1.63 0.00 0.00 1.88 0.00 0.00 3.12 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.55 7.81 132 E 8.12 4.11 0.00 2.03 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 2.23 1.91 0.00 133 E 8.10 4.47 0.00 2.17 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 134 L 7.21 4.69 0.00 1.54 1.51 0.86 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 135 F 7.65 4.32 0.00 3.02 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 0.00 136 P 0.00 4.32 0.00 2.20 2.21 0.00 3.92 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 137 E 8.12 4.24 0.00 2.12 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 2.31 2.28 0.00 138 V 7.58 4.06 2.22 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 0.81 0.00 0.00 1.03 0.00 0.00 139 Q 8.64 4.89 0.00 2.49 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.68 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 140 I 8.67 4.87 1.92 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 1.07 1.25 0.99 0.00 0.00 *142 D 8.38 4.58 0.00 2.98 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 0.00 143 V 8.20 3.73 2.22 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 0.87 0.00 0.00 1.05 0.00 0.00 144 K 8.11 3.98 0.00 1.94 1.88 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.54 7.81 145 E 8.55 3.86 0.00 2.09 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 2.25 2.31 0.00 146 Y 7.56 3.66 0.00 1.43 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 L 7.89 3.52 0.00 1.78 1.59 0.96 0.87 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 0.00 148 K 7.93 3.78 0.00 1.83 1.82 0.00 1.58 0.00 0.00 1.50 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.38 7.81 149 N 7.72 4.15 0.00 2.62 2.76 0.00 0.00 7.26 7.29 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 0.00 150 A 7.91 3.96 0.74 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 0.00 151 L 7.82 3.95 0.00 1.56 1.68 0.89 0.80 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 0.00 152 E 7.73 4.19 0.00 2.07 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 2.41 0.00 153 S 7.05 4.64 0.00 4.01 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 0.00 154 D 8.68 4.61 0.00 2.78 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 0.00 155 L 7.70 4.75 0.00 1.53 1.50 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 156 Q 8.71 4.99 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.56 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 157 L 8.95 5.02 0.00 1.66 1.58 0.97 0.78 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 0.00 158 F 9.01 5.20 0.00 3.10 2.89 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 0.00 159 I 8.44 4.30 1.88 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 1.15 0.74 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.