NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.1954 8.1133 121.1192 56.3942 31.9065 173.9539 3 T 4.7020 8.2098 122.8331 61.2290 70.2858 173.1083 4 F 4.3919 9.7653 128.0197 56.7541 40.7123 176.6884 5 E 4.0072 8.9032 124.6464 58.7381 30.0077 176.7534 6 S 4.9118 7.0478 110.8440 57.5933 67.2446 176.7618 7 V 3.5480 8.0281 113.9409 63.9908 31.1244 178.6238 8 A 3.9553 7.9252 120.5528 55.2676 18.0544 179.2466 9 D 4.3318 7.7383 116.3391 57.1110 41.1405 178.4486 10 L 3.0043 7.6782 120.3549 57.8124 42.0737 178.7014 11 A 3.8527 8.0681 120.7588 55.2989 18.0804 179.2489 12 A 4.0986 8.0753 116.9065 53.8780 18.6974 178.4692 13 A 5.2067 8.0397 119.7314 49.8412 19.2983 176.6106 14 A 3.8978 6.9866 121.3083 54.2943 18.7919 177.1932 15 G 4.1018 8.8222 110.8815 45.6039 0.0000 174.3345 16 E 4.2053 8.1853 118.7792 55.3667 30.1818 176.5409 17 K 4.2702 8.4836 121.1380 57.2762 32.5578 177.3260 18 V 4.3259 8.8202 115.0602 60.8297 32.7357 174.7331 19 G 3.8193 7.4759 106.4865 44.2055 0.0000 172.1638 20 Q 4.8704 8.2346 120.2062 54.4506 32.0206 176.1000 21 S 4.4654 8.9013 121.9985 57.9724 64.4101 173.2120 22 D 4.6439 9.3718 121.0698 53.2038 41.6859 176.7667 23 W 4.5936 8.5675 119.8790 57.1782 29.7723 176.1486 24 V 4.5965 9.2691 123.4505 61.4732 34.5243 174.1216 25 T 4.9317 8.4866 123.0867 62.2959 70.2031 174.2256 26 I 4.2445 8.7308 128.1826 60.8130 38.4479 175.4099 27 T 4.8412 8.5315 116.9679 59.4833 71.2602 175.3165 28 Q 4.0077 8.5788 123.5970 59.3139 28.9784 178.4760 29 E 4.0053 8.1378 118.3718 59.3060 29.6644 178.8934 30 E 3.9719 8.1425 119.2215 59.1113 29.4538 179.3447 31 V 3.6164 7.7964 118.3052 66.1185 31.5563 177.8092 32 N 4.3895 8.5198 116.4628 56.3824 38.3249 177.2852 33 L 3.9941 8.1905 120.4810 57.8441 41.7135 179.4433 34 F 3.9764 8.4782 120.4294 61.1068 39.2712 176.9818 35 A 4.0792 8.2364 121.8799 54.7902 17.9766 179.3632 36 D 4.3418 8.0890 116.0192 57.4347 40.9426 178.6279 37 A 4.0390 8.0476 120.8910 54.5554 18.5114 178.8533 38 T 4.1835 7.4771 105.2573 60.8156 69.7977 175.7446 39 G 3.7660 7.9814 109.7715 45.8026 0.0000 173.4157 40 D 4.7244 7.4600 119.4291 53.1403 40.1734 176.3069 41 H 4.7963 8.3014 127.0548 54.9462 29.7714 175.5587 42 Q 4.2057 8.3906 120.9590 55.6367 29.8256 176.7054 43 W 4.4327 9.3080 122.1324 59.7051 28.1210 178.1818 44 I 3.2233 6.5819 111.6869 62.9569 36.9467 177.1040 45 H 4.8419 7.7893 116.8225 56.0831 29.3863 176.0581 46 V 4.3816 7.7419 107.8651 60.5580 33.4664 175.0437 47 D 4.8721 8.1363 120.7499 51.1758 41.4034 174.0815 48 P 4.4308 0.0000 0.0000 65.3180 31.1650 178.1401 49 E 3.9526 8.1664 115.9768 59.5965 29.9771 179.0800 50 R 4.0024 8.6100 117.9352 59.2410 30.1507 179.0255 51 A 4.4324 8.9228 120.8095 55.3204 18.1814 179.5540 52 A 4.5223 8.3574 119.4113 54.2001 18.5200 178.7786 53 A 4.4910 7.8203 117.0071 52.0416 19.8697 177.4773 54 G 4.2735 7.9787 107.7371 43.3785 0.0000 173.1227 55 P 4.2332 0.0000 0.0000 64.8538 30.9632 177.3641 56 F 4.5431 7.9005 117.0689 57.6024 39.8787 177.4014 57 G 4.0969 9.9604 109.0799 45.8548 0.0000 172.7378 58 T 4.8237 7.0949 110.6456 60.8725 70.8398 172.5924 59 T 4.4216 8.3069 114.2164 61.6646 70.0381 173.3590 60 I 4.9020 8.3103 116.5339 58.6199 40.9423 174.8205 61 A 4.2603 8.6767 125.4203 51.9893 19.1161 177.3171 62 H 3.9515 8.3349 117.1371 55.1528 29.6954 176.2702 63 G 2.7403 8.3077 113.0777 48.4512 0.0000 176.5712 64 F 4.8076 7.4106 118.6714 57.5833 38.3932 177.4888 *66 T 4.1807 8.1086 118.7211 63.6195 70.5394 176.3047 67 L 4.0267 8.2842 122.7876 58.1616 42.1572 178.6147 68 A 4.2898 7.8818 119.1870 54.0379 18.5299 178.5832 69 L 4.2629 7.7009 115.3246 55.6004 41.7028 178.7223 70 L 3.9862 7.8925 120.4395 57.4889 41.5664 177.3026 71 P 4.1883 0.0000 0.0000 65.6744 31.0919 178.2376 72 R 3.8782 7.9885 115.2240 59.7209 30.0837 177.9877 73 L 4.1361 8.0838 118.4716 58.0193 41.4330 179.6396 74 Q 3.9973 8.3321 117.1988 58.9944 28.6268 177.8402 75 H 4.2914 8.1964 119.0292 59.1326 29.8143 176.8452 76 Q 4.0504 7.4330 116.4888 56.5731 27.7928 175.2027 *78 Y 4.9863 7.6154 115.7922 57.3328 39.3545 173.8282 79 T 4.8437 8.9497 108.9109 60.0572 72.9953 172.7434 80 V 4.8914 8.3505 121.7439 61.1294 33.7174 175.4670 81 K 4.1473 9.1841 127.8521 56.7237 33.6038 177.7506 82 G 3.9448 8.7861 108.5591 46.2600 0.0000 173.4755 83 V 4.5500 7.5613 112.1087 59.0914 33.7510 176.1123 84 K 4.1891 9.1867 125.9058 59.0525 32.3787 177.0730 85 L 4.7825 7.5444 116.3731 54.4676 43.9013 173.8163 86 A 5.1047 8.4939 121.1036 50.1279 21.6723 175.3863 87 I 4.4911 8.4545 121.8179 58.5779 41.7475 173.8124 88 N 4.5001 8.9136 127.6963 54.6842 38.5724 173.5592 89 Y 4.2478 9.8034 128.7581 57.9704 40.1352 175.9083 90 G 3.9215 6.4657 105.1648 44.5240 0.0000 171.1370 91 L 5.3657 7.7372 118.4570 53.2192 46.2764 176.5593 92 N 5.0686 8.2235 119.3718 52.9051 39.8600 177.8353 93 K 4.1411 8.7637 130.7962 57.4445 33.1896 174.5708 94 V 4.8349 8.1914 126.0488 61.2405 34.5557 174.5166 95 R 4.4178 8.5304 124.9513 54.3930 34.6861 174.1825 96 F 5.7334 8.1923 119.0398 54.0039 38.0927 173.1680 97 P 4.3662 0.0000 0.0000 64.6224 32.0570 176.7903 98 A 4.8420 7.8674 118.4938 49.3337 22.6145 174.3522 99 P 4.2236 0.0000 0.0000 62.4858 32.8875 176.5324 100 V 4.1827 7.8644 121.4615 60.4653 33.1561 172.9206 101 P 4.7008 0.0000 0.0000 61.9893 32.5080 176.5857 102 V 3.7835 8.3286 124.3528 64.6666 31.8824 176.0244 103 G 4.0101 9.1165 115.9802 45.1764 0.0000 173.9079 104 S 4.4657 7.9053 114.3256 58.1855 64.9079 173.3526 105 R 5.2079 8.3132 118.6014 54.7073 32.9228 175.6890 106 V 5.3795 9.0792 114.9483 60.0956 36.3122 174.5139 107 R 4.7910 8.7144 120.9523 55.0024 33.8310 173.5383 108 A 5.3640 8.8645 125.4481 50.2462 23.0425 175.0238 109 T 5.0741 8.6491 109.3795 60.0552 72.0827 173.2178 110 S 5.5165 8.7744 119.4303 56.8847 67.5423 173.0832 111 S 5.0496 8.8533 116.0203 56.4592 66.8525 173.2260 112 L 4.4598 8.7498 122.7164 54.5504 41.6490 177.9447 113 V 3.5487 8.8883 125.9635 65.6018 31.9345 176.3044 114 G 4.1981 7.5843 104.5579 45.3447 0.0000 172.1404 115 V 4.8474 8.1960 120.3071 60.8991 34.3730 173.9756 116 E 4.5419 9.2166 129.7207 54.2584 31.6154 174.1839 117 D 4.5778 8.7501 127.1329 54.2825 41.5871 175.3305 118 L 4.4032 8.8874 126.1697 54.2189 42.1737 177.7617 119 G 4.0092 8.7409 105.6975 47.0534 0.0000 173.5243 120 N 4.2045 9.5866 115.3171 54.0859 36.1385 175.5551 121 G 3.9138 8.5384 103.5935 45.7630 0.0000 173.6440 122 T 4.8484 7.9066 116.9955 62.0294 70.5084 174.3844 123 V 4.7172 8.8220 118.3795 59.5571 36.7299 174.3375 124 Q 4.9667 9.0477 123.4230 54.4351 31.7636 173.7128 125 A 5.1626 9.3180 129.1239 50.6645 21.6506 175.2145 126 T 4.9325 8.8616 119.7514 61.9792 70.7598 174.0769 127 V 4.8422 8.9747 126.2028 61.0602 35.2948 173.8329 128 S 5.2699 9.0403 121.8592 56.8992 64.8061 172.8012 129 T 5.1991 9.0572 123.0506 62.0952 72.7413 172.7855 130 T 4.8948 8.6943 121.9158 61.8031 71.5183 173.2355 131 V 4.7649 8.7790 127.5912 61.3563 33.2148 174.6457 132 E 4.9234 9.3072 126.8788 55.1517 32.2568 174.8971 133 V 4.9441 8.1168 120.4222 60.7779 34.0612 174.6783 134 E 3.8197 9.1028 129.4843 57.8331 29.7521 177.2330 135 G 3.9559 9.0781 113.0635 45.5075 0.0000 172.9730 136 S 4.6332 7.6412 112.9572 56.1791 65.3373 173.8361 137 A 4.2069 8.6719 129.6100 54.5378 18.7286 178.2446 138 K 4.2263 7.8741 115.4964 55.4951 32.8513 175.2464 139 P 4.5396 0.0000 0.0000 62.5133 32.2449 177.3062 140 A 4.4013 8.9318 124.1702 54.6294 19.6681 177.2487 141 C 4.9286 7.6910 113.0552 58.4922 35.4547 173.0427 142 V 4.8156 8.5685 125.1123 61.1018 33.9893 174.0395 143 A 5.1218 9.1078 129.0710 50.1454 23.0931 173.8759 144 E 5.1416 8.9164 122.2123 54.4464 32.0167 175.1124 145 S 5.3536 9.2428 121.0639 56.5789 67.2927 172.8087 146 I 5.1494 8.6111 120.0185 59.6207 41.0852 174.8185 147 V 4.6354 8.9220 126.5134 61.0110 34.7226 173.9090 148 R 4.7673 8.8225 128.9273 55.3003 31.7794 174.3545 149 Y 4.7941 9.1930 125.4370 56.7427 39.7379 176.1288 150 V 4.3263 8.9054 124.3247 62.1140 31.8375 175.3843 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 2 R 8.11 4.20 0.00 1.80 1.82 0.00 2.89 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 1.20 0.00 3 T 8.21 4.70 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 1.21 0.00 0.00 4 F 9.77 4.39 0.00 3.17 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 5 E 8.90 4.01 0.00 2.20 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 2.30 2.24 0.00 6 S 7.05 4.91 0.00 4.04 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 7 V 8.03 3.55 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 0.78 0.00 0.00 0.98 0.00 0.00 8 A 7.93 3.96 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 9 D 7.74 4.33 0.00 2.89 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 10 L 7.68 3.00 0.00 1.17 1.43 -0.46 0.18 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 11 A 8.07 3.85 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 12 A 8.08 4.10 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 13 A 8.04 5.21 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 14 A 6.99 3.90 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 15 G 8.82 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 16 E 8.19 4.21 0.00 2.12 1.88 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 2.33 2.38 0.00 17 K 8.48 4.27 0.00 1.74 1.75 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.47 7.81 18 V 8.82 4.33 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 0.65 0.00 0.00 0.96 0.00 0.00 19 G 7.48 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 8.23 4.87 0.00 1.96 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.98 0.00 0.00 0.00 0.00 0.00 2.05 2.33 0.00 21 S 8.90 4.47 0.00 3.98 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 22 D 9.37 4.64 0.00 2.68 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 23 W 8.57 4.59 0.00 3.17 3.09 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 24 V 9.27 4.60 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 1.11 0.00 0.00 0.97 0.00 0.00 25 T 8.49 4.93 4.26 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 0.00 0.00 1.21 0.00 0.00 26 I 8.73 4.24 1.85 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 1.42 0.90 0.86 0.00 0.00 27 T 8.53 4.84 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 1.27 0.00 0.00 28 Q 8.58 4.01 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 29 E 8.14 4.01 0.00 2.22 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 2.38 2.36 0.00 30 E 8.14 3.97 0.00 2.23 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 2.35 2.33 0.00 31 V 7.80 3.62 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 1.19 0.00 0.00 0.95 0.00 0.00 32 N 8.52 4.39 0.00 2.95 2.90 0.00 0.00 7.07 7.04 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 33 L 8.19 3.99 0.00 1.93 1.76 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 34 F 8.48 3.98 0.00 3.19 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 35 A 8.24 4.08 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 36 D 8.09 4.34 0.00 2.82 2.76 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 0.00 0.00 0.00 37 A 8.05 4.04 1.16 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 0.00 0.00 38 T 7.48 4.18 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 0.26 0.00 0.00 39 G 7.98 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 40 D 7.46 4.72 0.00 2.79 2.67 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 0.00 0.00 0.00 0.00 41 H 8.30 4.80 0.00 3.20 3.37 0.00 5.96 0.00 0.00 0.00 0.00 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 8.39 4.21 0.00 2.27 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.72 0.00 0.00 0.00 0.00 0.00 2.06 2.36 0.00 43 W 9.31 4.43 0.00 3.60 3.33 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 44 I 6.58 3.22 1.41 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 -0.23 -0.66 0.00 0.00 45 H 7.79 4.84 0.00 3.13 3.18 0.00 5.56 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.74 4.38 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 0.85 0.00 0.00 1.08 0.00 0.00 47 D 8.14 4.87 0.00 2.81 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 48 P 0.00 4.43 0.00 2.23 2.13 0.00 3.70 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 49 E 8.17 3.95 0.00 2.08 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 2.33 2.48 0.00 50 R 8.61 4.00 0.00 2.12 1.90 0.00 2.96 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.57 0.00 51 A 8.92 4.43 1.51 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 0.00 0.00 52 A 8.36 4.52 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 53 A 7.82 4.49 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 54 G 7.98 4.27 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 0.00 55 P 0.00 4.23 0.00 1.62 1.98 0.00 3.88 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 1.08 1.69 0.00 56 F 7.90 4.54 0.00 3.19 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 57 G 9.96 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 58 T 7.09 4.82 4.27 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 1.22 0.00 0.00 59 T 8.31 4.42 4.37 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 1.24 0.00 0.00 60 I 8.31 4.90 1.56 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.48 0.54 0.00 0.00 61 A 8.68 4.26 1.10 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 62 H 8.33 3.95 0.00 2.57 3.13 0.00 5.92 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.31 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 0.00 0.00 0.00 64 F 7.41 4.81 0.00 3.29 3.19 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 *66 T 8.11 4.18 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 1.28 0.00 0.00 67 L 8.28 4.03 0.00 2.15 2.10 0.99 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 68 A 7.88 4.29 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 69 L 7.70 4.26 0.00 1.87 1.72 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 70 L 7.89 3.99 0.00 1.94 1.77 0.99 1.04 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 71 P 0.00 4.19 0.00 2.15 2.09 0.00 3.86 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 2.13 2.16 0.00 72 R 7.99 3.88 0.00 1.80 2.15 0.00 3.25 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 73 L 8.08 4.14 0.00 1.73 1.69 0.92 0.75 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 74 Q 8.33 4.00 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.96 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 75 H 8.20 4.29 0.00 3.16 3.51 0.00 5.95 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 7.43 4.05 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.29 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 *78 Y 7.62 4.99 0.00 3.27 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 79 T 8.95 4.84 4.29 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 1.12 0.00 0.00 80 V 8.35 4.89 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 0.64 0.00 0.00 0.72 0.00 0.00 81 K 9.18 4.15 0.00 1.93 1.73 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.42 7.81 82 G 8.79 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 83 V 7.56 4.55 2.25 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 0.89 0.00 0.00 1.12 0.00 0.00 84 K 9.19 4.19 0.00 1.93 1.89 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.40 7.81 85 L 7.54 4.78 0.00 1.72 1.72 0.92 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 86 A 8.49 5.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 I 8.45 4.49 1.85 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 1.11 1.71 0.91 0.00 0.00 88 N 8.91 4.50 0.00 2.76 2.73 0.00 0.00 7.01 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 89 Y 9.80 4.25 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 90 G 6.47 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 91 L 7.74 5.37 0.00 1.61 1.55 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.22 5.07 0.00 2.70 2.10 0.00 0.00 6.91 8.43 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 93 K 8.76 4.14 0.00 1.82 1.65 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.73 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.40 7.81 94 V 8.19 4.83 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 0.26 0.00 0.00 0.93 0.00 0.00 95 R 8.53 4.42 0.00 1.59 1.64 0.00 3.24 0.00 0.00 3.09 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.66 0.00 96 F 8.19 5.73 0.00 2.84 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 97 P 0.00 4.37 0.00 2.22 2.13 0.00 3.73 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 2.02 2.07 0.00 98 A 7.87 4.84 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 99 P 0.00 4.22 0.00 1.71 1.44 0.00 3.66 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 2.12 2.05 0.00 100 V 7.86 4.18 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 0.80 0.00 0.00 0.90 0.00 0.00 101 P 0.00 4.70 0.00 2.09 1.93 0.00 3.63 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 2.10 2.05 0.00 102 V 8.33 3.78 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 0.83 0.00 0.00 0.90 0.00 0.00 103 G 9.12 4.01 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 0.00 0.00 0.00 104 S 7.91 4.47 0.00 3.90 3.98 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 0.00 105 R 8.31 5.21 0.00 1.53 1.97 0.00 3.06 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.46 0.00 106 V 9.08 5.38 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 0.76 0.00 0.00 0.99 0.00 0.00 107 R 8.71 4.79 0.00 0.67 0.77 0.00 2.56 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.22 0.00 108 A 8.86 5.36 1.18 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 0.00 0.00 109 T 8.65 5.07 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 1.14 0.00 0.00 110 S 8.77 5.52 0.00 3.82 3.82 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 0.00 0.00 0.00 111 S 8.85 5.05 0.00 3.93 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 0.00 112 L 8.75 4.46 0.00 1.52 1.56 0.57 0.76 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 0.00 113 V 8.89 3.55 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 0.70 0.00 0.00 0.93 0.00 0.00 114 G 7.58 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 0.00 0.00 0.00 0.00 115 V 8.20 4.85 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 0.74 0.00 0.00 0.86 0.00 0.00 116 E 9.22 4.54 0.00 1.97 1.71 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 2.17 2.19 0.00 117 D 8.75 4.58 0.00 2.69 2.56 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 0.00 118 L 8.89 4.40 0.00 1.75 1.63 0.86 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 119 G 8.74 4.01 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 0.00 0.00 0.00 120 N 9.59 4.20 0.00 2.87 2.90 0.00 0.00 7.07 7.65 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 0.00 121 G 8.54 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 0.00 122 T 7.91 4.85 4.38 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 1.24 0.00 0.00 123 V 8.82 4.72 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 0.65 0.00 0.00 0.97 0.00 0.00 124 Q 9.05 4.97 0.00 1.92 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.79 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 125 A 9.32 5.16 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 0.00 126 T 8.86 4.93 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 1.22 0.00 0.00 127 V 8.97 4.84 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 1.14 0.00 0.00 1.04 0.00 0.00 128 S 9.04 5.27 0.00 3.90 3.67 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 0.00 0.00 0.00 0.00 129 T 9.06 5.20 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 1.22 0.00 0.00 130 T 8.69 4.89 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 1.20 0.00 0.00 131 V 8.78 4.76 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 1.01 0.00 0.00 0.95 0.00 0.00 132 E 9.31 4.92 0.00 2.11 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 2.25 2.37 0.00 133 V 8.12 4.94 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 1.04 0.00 0.00 0.97 0.00 0.00 134 E 9.10 3.82 0.00 1.16 1.50 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 1.98 1.64 0.00 135 G 9.08 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 0.00 136 S 7.64 4.63 0.00 3.78 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 0.00 137 A 8.67 4.21 1.31 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 0.00 0.00 0.00 138 K 7.87 4.23 0.00 1.79 1.79 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.48 7.81 139 P 0.00 4.54 0.00 2.08 1.97 0.00 3.60 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 140 A 8.93 4.40 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 0.00 141 C 7.69 4.93 0.00 3.16 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 0.00 142 V 8.57 4.82 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 0.86 0.00 0.00 0.90 0.00 0.00 143 A 9.11 5.12 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 0.00 144 E 8.92 5.14 0.00 2.04 1.79 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 2.21 2.36 0.00 145 S 9.24 5.35 0.00 3.90 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 0.00 146 I 8.61 5.15 2.11 0.00 0.00 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 1.19 0.91 0.94 0.00 0.00 147 V 8.92 4.64 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 0.09 0.00 0.00 0.92 0.00 0.00 148 R 8.82 4.77 0.00 1.86 1.75 0.00 3.15 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 149 Y 9.19 4.79 0.00 2.91 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 0.00 150 V 8.91 4.33 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 1.14 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.