NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 M 4.4282 8.3049 120.3519 55.4359 33.3804 174.4566 10 N 5.0033 8.3199 122.7701 50.2743 42.1978 171.5730 11 Y 5.3134 8.2330 118.4140 56.4051 41.7251 173.2838 12 E 4.7501 9.3307 119.1735 54.3193 33.4490 174.8839 13 E 4.0877 9.2924 126.2514 56.7543 29.5980 176.1792 14 V 4.4126 8.5816 121.2445 62.9693 33.7170 175.5832 15 F 4.9845 7.1471 112.9720 56.4521 41.1879 172.9181 16 S 5.4382 9.5078 114.2477 56.9448 67.1346 173.6620 17 I 5.3185 9.1345 122.3596 60.0666 41.3050 174.4058 18 T 4.9947 8.9136 123.1905 61.9967 70.7548 173.3618 19 I 4.8584 8.6674 127.5292 59.7751 40.4242 174.6803 20 T 4.8596 8.8760 123.4314 62.2138 70.1669 174.3519 21 V 4.7151 8.5385 120.0975 59.7970 34.3116 175.1459 22 D 4.7657 8.7286 123.6032 52.5326 43.0062 176.0912 23 K 4.2299 8.4664 119.7397 55.6883 32.5167 175.4859 24 P 4.4414 0.0000 0.0000 63.3270 32.2336 176.4290 25 I 4.1857 9.0655 125.3520 59.8937 37.7315 174.4573 26 L 4.3322 8.3456 129.8278 55.2224 42.1864 176.1318 27 I 4.1367 8.8706 127.9730 62.5107 38.1748 176.0617 28 G 4.0783 7.6165 106.2198 46.2111 0.0000 171.6330 29 Q 5.5586 8.8467 120.1506 55.0304 31.9779 172.9875 30 D 4.6739 8.4456 122.6652 53.1611 42.2162 174.7313 31 D 4.7506 8.4838 116.3865 54.6872 40.9957 177.3467 32 I 4.3013 7.9920 118.1408 63.0143 39.1232 177.7969 33 V 3.8167 7.8454 112.8436 62.1096 32.8606 176.7045 34 G 3.8003 8.0573 104.7635 43.6953 0.0000 171.0334 35 R 4.9871 8.6029 120.7507 54.6343 32.5002 176.1572 36 R 5.1184 8.9553 127.9076 54.9471 32.0165 174.9083 37 Q 5.0062 9.1882 123.4041 54.7638 32.8735 173.2876 38 L 4.9929 8.9049 121.2163 53.3557 44.1389 175.4762 39 I 4.5826 8.6799 125.6357 58.9352 39.0586 173.4476 40 P 4.8118 0.0000 0.0000 62.4434 32.6996 175.6803 41 I 4.3754 8.3434 125.5598 60.7155 37.3340 175.9799 42 I 4.0950 8.9081 129.7612 63.9907 37.8440 176.0019 43 S 4.5219 7.2769 113.9718 57.7977 66.2854 173.8077 44 G 4.2569 7.9013 102.7073 45.5212 0.0000 172.1932 45 K 4.9060 8.7619 126.2750 54.4684 34.5556 174.7407 46 V 5.1208 8.7770 128.3711 61.4316 33.6928 174.5722 47 S 5.6591 8.3182 121.0566 56.6273 66.7896 173.5472 48 G 4.4789 8.1819 110.5505 45.9982 0.0000 171.3179 49 N 4.6801 8.7769 118.9468 54.5332 38.8009 173.9914 50 N 4.3254 8.9667 123.6528 53.8471 36.3518 175.4053 51 F 4.6527 8.1857 120.3514 56.9224 40.7771 171.1308 52 N 5.4186 8.2063 121.2238 50.2984 43.3316 173.9434 53 G 4.2164 7.9506 111.4926 46.0026 0.0000 171.6529 54 K 5.1220 7.9866 122.0236 55.0635 36.7611 176.1322 55 V 4.3733 8.4918 121.7279 62.6293 32.1726 175.9012 56 L 4.5401 8.8167 128.0843 52.9893 43.0052 174.8979 57 P 4.3136 0.0000 0.0000 63.7303 31.7178 177.0502 58 G 3.9873 9.0391 108.1128 45.1422 0.0000 173.4267 59 G 4.1425 7.9091 107.2440 45.5150 0.0000 173.3873 60 I 5.1255 8.6190 124.0628 59.6944 42.2207 173.4252 61 D 5.0190 9.2088 127.2531 52.8548 42.9662 174.8067 62 S 5.0949 8.8755 122.0762 57.1888 63.9176 172.8044 63 Q 5.1820 9.1474 125.9104 54.0691 33.0067 174.2473 64 I 4.8909 8.3353 121.9126 59.2683 41.3463 174.2155 65 V 4.4150 8.6783 130.5301 61.6918 32.3440 175.9912 66 R 4.4341 9.0313 128.1656 55.2648 30.6706 176.3129 67 P 4.3738 0.0000 0.0000 65.7602 31.3661 177.4747 68 D 4.4943 8.0054 114.6156 53.8181 39.3602 177.0507 69 G 3.9540 8.4405 109.8572 45.0493 0.0000 173.9033 70 K 4.1191 8.2495 122.7242 56.5815 33.3878 175.0250 71 C 5.0227 9.2511 128.6786 58.1618 33.6542 171.7618 72 E 5.0949 9.0525 125.7992 54.6002 31.8420 174.8787 73 L 5.1509 9.0281 124.3533 52.9889 45.6699 175.8501 74 S 4.9833 9.2069 117.0925 56.9254 65.1781 172.0595 75 A 5.3180 9.0676 129.8598 50.3663 21.8036 175.6176 76 R 5.0482 8.8734 120.0884 54.7731 33.6102 174.4024 77 Y 5.2906 8.3235 120.7798 56.4207 42.0858 172.9252 78 A 5.4358 8.8003 120.2474 50.1258 23.1229 174.8908 79 I 5.0565 8.6741 112.0835 59.0570 41.8175 174.2519 80 R 4.9456 8.7317 122.8711 54.6296 33.1363 174.8569 81 L 4.7173 9.0475 127.1312 53.5238 43.2415 177.6084 82 D 4.3688 8.7508 120.3929 55.5573 39.5246 176.9933 83 D 4.4831 7.9168 117.9459 53.5908 39.8935 177.0790 84 G 3.8657 8.1138 108.8332 44.9086 0.0000 173.6795 85 A 4.2930 8.2706 122.1985 51.4854 19.7175 176.4016 86 A 5.1013 8.4523 122.3664 50.1908 21.8844 176.0781 87 I 4.6589 8.4041 121.1012 59.6832 41.1908 173.8542 88 Y 4.9504 9.1033 128.7195 56.4348 40.8079 174.1462 89 I 4.5544 7.9905 126.6864 59.1408 40.9183 173.7919 90 E 4.7904 8.2038 127.5821 54.1601 32.2560 173.9356 91 N 5.1549 9.2625 125.7325 52.0292 41.9034 172.4346 92 N 5.3570 8.7985 124.7317 51.8598 41.4503 174.5157 93 G 4.0951 8.9840 111.0659 45.8868 0.0000 171.5513 94 I 5.3635 8.8206 112.3900 59.3210 41.7918 174.4964 95 R 5.1898 9.0558 123.7194 55.0368 33.0458 173.8059 96 T 5.0716 9.2443 116.5621 59.9955 71.9201 173.4152 97 V 4.8001 8.2736 116.2779 58.7128 35.2026 174.1081 98 P 4.5995 0.0000 0.0000 62.5736 32.3995 176.7199 99 D 4.3872 8.7366 117.0702 57.5491 40.7481 178.1899 100 E 4.1439 8.1394 114.0975 57.6256 30.1219 177.0079 101 Y 4.5736 7.7388 116.9406 58.1605 38.6484 177.4500 102 I 3.8112 7.6337 122.1753 64.4458 37.0164 177.9958 103 E 4.0733 8.1328 117.6824 58.7059 29.4656 178.6735 104 A 4.1435 7.9342 120.0630 55.2889 18.6429 179.2791 105 V 3.7710 7.6971 115.2617 65.6883 31.5664 177.2892 106 K 4.3267 7.4375 115.6304 56.0881 32.0881 175.7048 *113 P 4.5821 0.0000 0.0000 62.7559 32.9876 178.0460 114 N 4.4037 8.1380 112.7859 55.8035 38.7073 176.1698 115 A 3.8036 7.8963 120.5347 55.4360 18.3166 177.2426 116 Y 4.5485 7.3757 111.8689 58.9919 38.9176 175.0736 117 Y 4.5395 9.1842 124.7778 56.4944 40.7564 174.3162 118 F 5.4152 8.1796 128.6696 56.9436 41.7197 172.7484 119 R 5.0757 8.9953 124.1042 54.5184 34.7701 174.3221 120 T 5.0272 8.5812 110.8794 60.4135 73.2950 172.5917 121 I 4.7339 8.6762 123.5225 58.9902 39.5622 173.3033 122 P 4.9317 0.0000 0.0000 62.1305 33.0206 175.3678 123 T 4.4435 8.2592 118.4205 61.7449 71.3300 173.1832 124 F 5.3253 8.5442 123.5645 55.5848 42.3660 174.3066 125 E 4.7244 9.0491 122.1645 54.6571 32.4318 174.6700 126 T 4.3374 8.0518 115.3945 59.6859 72.3954 172.9107 127 Y 4.8687 8.1349 117.3748 57.2614 39.8499 175.4113 128 S 4.7821 7.7472 113.1369 56.2937 65.5096 173.3073 129 P 4.3386 0.0000 0.0000 65.4338 31.3331 178.8299 130 K 3.9295 7.5948 118.5558 58.6955 32.3265 176.9050 131 Y 4.5499 7.8646 114.4510 57.3966 38.5447 177.3452 132 K 3.9951 7.9950 123.5108 59.1153 32.1156 178.6849 133 W 4.4647 8.4875 116.7617 60.0303 27.5366 177.9986 134 M 3.9818 7.0257 118.4393 57.6000 31.2645 177.4258 135 M 4.6049 7.7313 116.6855 55.3041 32.3921 176.0210 136 N 5.1271 8.0885 115.0562 52.9200 40.3139 173.4446 137 H 5.0057 8.2368 113.9714 54.1078 33.1531 172.4494 138 I 4.5598 7.9599 121.0774 60.4606 38.8637 175.0421 139 F 5.4100 8.9035 123.2340 55.7638 42.8430 174.3998 140 V 4.6601 8.8556 120.6578 61.2337 35.2199 173.6824 141 C 4.9625 8.7782 126.2681 57.6944 34.2640 172.1697 142 C 4.6964 8.8155 124.1267 58.3905 29.2504 172.7922 143 A 4.9627 7.9318 125.1123 50.0875 21.7176 175.2739 144 S 4.9583 8.6494 113.9909 56.9622 67.6344 173.7289 145 R 5.0182 8.7835 118.5105 55.0017 32.2034 175.3658 146 L 4.6105 8.1944 117.9489 55.7008 46.3819 174.9085 147 P 3.5609 0.0000 0.0000 60.2607 32.9972 177.7300 148 E 4.8350 8.9158 123.4634 53.9788 30.4724 174.7786 149 N 5.5116 7.9646 111.6880 53.1498 39.4133 175.9355 150 V 4.1984 8.1754 124.9868 61.0381 33.7361 174.5952 151 L 4.9224 8.7774 126.3231 53.7036 43.8808 174.8566 152 L 4.9246 9.0206 126.4389 52.7930 44.9869 175.3802 153 K 4.7623 8.6774 123.7515 54.6137 34.5996 175.1414 154 F 4.9321 8.7488 124.3925 55.9312 41.2312 174.3350 155 Y 5.2308 9.3549 121.5391 55.9493 40.9661 174.7965 156 K 4.1114 9.3544 126.8415 55.9099 33.5937 175.7553 157 I 4.3137 8.5453 129.7090 61.2255 37.7910 176.3284 158 S 4.4661 8.7500 122.9074 58.6280 62.4766 174.2358 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 M 8.30 4.43 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.66 0.00 10 N 8.32 5.00 0.00 2.70 2.56 0.00 0.00 6.66 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 8.23 5.31 0.00 3.09 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 12 E 9.33 4.75 0.00 1.90 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 2.18 2.32 0.00 13 E 9.29 4.09 0.00 2.07 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 1.98 1.47 0.00 14 V 8.58 4.41 2.36 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 1.01 0.00 0.00 1.16 0.00 0.00 15 F 7.15 4.98 0.00 3.36 2.99 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 16 S 9.51 5.44 0.00 3.82 3.81 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 17 I 9.13 5.32 2.14 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.26 1.09 0.00 0.00 18 T 8.91 4.99 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 1.23 0.00 0.00 19 I 8.67 4.86 1.83 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.86 0.81 0.00 0.00 20 T 8.88 4.86 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 1.21 0.00 0.00 21 V 8.54 4.72 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 0.60 0.00 0.00 0.94 0.00 0.00 22 D 8.73 4.77 0.00 2.63 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.47 4.23 0.00 1.79 1.73 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.47 7.81 24 P 0.00 4.44 0.00 1.93 1.99 0.00 3.66 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 2.12 0.00 25 I 9.07 4.19 1.95 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 1.12 0.77 0.91 0.00 0.00 26 L 8.35 4.33 0.00 1.64 1.57 0.95 1.09 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 27 I 8.87 4.14 1.95 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 1.17 0.98 0.91 0.00 0.00 28 G 7.62 4.08 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 0.00 0.00 0.00 29 Q 8.85 5.56 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.66 0.00 0.00 0.00 0.00 0.00 2.24 2.20 0.00 30 D 8.45 4.67 0.00 2.89 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 31 D 8.48 4.75 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 32 I 7.99 4.30 2.02 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 1.30 0.58 0.91 0.00 0.00 33 V 7.85 3.82 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 0.69 0.00 0.00 1.00 0.00 0.00 34 G 8.06 3.80 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 0.00 0.00 0.00 35 R 8.60 4.99 0.00 1.87 1.78 0.00 3.08 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 36 R 8.96 5.12 0.00 1.96 1.77 0.00 3.17 0.00 0.00 3.47 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 37 Q 9.19 5.01 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.56 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 38 L 8.90 4.99 0.00 1.60 1.62 0.93 0.89 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 39 I 8.68 4.58 1.86 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 1.39 1.07 0.90 0.00 0.00 40 P 0.00 4.81 0.00 2.07 1.96 0.00 3.58 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 41 I 8.34 4.38 1.80 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.40 0.83 0.00 0.00 42 I 8.91 4.10 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 1.35 0.74 0.91 0.00 0.00 43 S 7.28 4.52 0.00 3.84 3.93 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 44 G 7.90 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 0.00 0.00 0.00 0.00 45 K 8.76 4.91 0.00 1.83 1.70 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.37 7.81 46 V 8.78 5.12 2.16 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 1.22 0.00 0.00 1.00 0.00 0.00 47 S 8.32 5.66 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 48 G 8.18 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 0.00 0.00 0.00 0.00 49 N 8.78 4.68 0.00 2.74 2.82 0.00 0.00 7.04 7.79 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 50 N 8.97 4.33 0.00 2.98 2.95 0.00 0.00 6.88 7.45 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 51 F 8.19 4.65 0.00 3.14 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 52 N 8.21 5.42 0.00 2.86 2.63 0.00 0.00 6.76 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 7.95 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 0.00 0.00 0.00 0.00 54 K 7.99 5.12 0.00 1.79 1.84 0.00 1.29 0.00 0.00 1.55 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.35 7.81 55 V 8.49 4.37 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 0.88 0.00 0.00 1.02 0.00 0.00 56 L 8.82 4.54 0.00 1.67 1.61 0.96 0.94 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 57 P 0.00 4.31 0.00 2.05 1.99 0.00 3.66 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 2.03 2.09 0.00 58 G 9.04 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 0.00 0.00 0.00 59 G 7.91 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 0.00 0.00 0.00 60 I 8.62 5.13 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 1.15 0.91 0.94 0.00 0.00 61 D 9.21 5.02 0.00 2.78 2.54 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 62 S 8.88 5.09 0.00 3.97 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 63 Q 9.15 5.18 0.00 1.97 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.53 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 64 I 8.34 4.89 1.87 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 1.17 1.58 0.91 0.00 0.00 65 V 8.68 4.41 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 1.02 0.00 0.00 0.92 0.00 0.00 66 R 9.03 4.43 0.00 2.07 1.84 0.00 3.35 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.75 0.00 67 P 0.00 4.37 0.00 2.04 2.29 0.00 3.68 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.08 0.00 68 D 8.01 4.49 0.00 2.79 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.44 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 0.00 0.00 0.00 70 K 8.25 4.12 0.00 1.89 1.86 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.41 7.81 71 C 9.25 5.02 0.00 2.95 2.79 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 72 E 9.05 5.09 0.00 1.93 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 73 L 9.03 5.15 0.00 1.63 1.72 0.95 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 74 S 9.21 4.98 0.00 3.86 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 75 A 9.07 5.32 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.87 5.05 0.00 1.86 2.02 0.00 3.26 0.00 0.00 3.38 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 77 Y 8.32 5.29 0.00 3.12 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 78 A 8.80 5.44 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 79 I 8.67 5.06 1.90 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.68 1.05 0.00 0.00 80 R 8.73 4.95 0.00 1.79 1.69 0.00 3.02 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 81 L 9.05 4.72 0.00 1.43 1.26 -0.36 -0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 82 D 8.75 4.37 0.00 2.72 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 83 D 7.92 4.48 0.00 2.83 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 G 8.11 3.87 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 0.00 0.00 0.00 85 A 8.27 4.29 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 8.45 5.10 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 87 I 8.40 4.66 1.69 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.19 0.84 0.00 0.00 88 Y 9.10 4.95 0.00 3.14 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 89 I 7.99 4.55 0.87 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 1.22 0.53 0.46 0.00 0.00 90 E 8.20 4.79 0.00 1.72 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 91 N 9.26 5.15 0.00 2.84 2.73 0.00 0.00 6.60 6.37 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 92 N 8.80 5.36 0.00 2.67 2.68 0.00 0.00 6.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 G 8.98 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 94 I 8.82 5.36 1.95 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.06 0.96 0.00 0.00 95 R 9.06 5.19 0.00 1.19 1.42 0.00 2.21 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.02 0.00 96 T 9.24 5.07 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 97 V 8.27 4.80 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 0.56 0.00 0.00 0.99 0.00 0.00 98 P 0.00 4.60 0.00 2.36 2.28 0.00 3.41 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 2.22 2.00 0.00 99 D 8.74 4.39 0.00 2.81 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 0.00 100 E 8.14 4.14 0.00 1.69 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 1.98 2.05 0.00 101 Y 7.74 4.57 0.00 2.80 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 0.00 102 I 7.63 3.81 2.04 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 1.56 1.62 0.93 0.00 0.00 103 E 8.13 4.07 0.00 1.93 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 2.31 2.31 0.00 104 A 7.93 4.14 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 0.00 105 V 7.70 3.77 2.28 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 0.92 0.00 0.00 1.10 0.00 0.00 106 K 7.44 4.33 0.00 1.73 1.81 0.00 2.12 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.60 7.81 *113 P 0.00 4.58 0.00 2.08 2.21 0.00 3.64 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.15 0.00 114 N 8.14 4.40 0.00 2.69 2.88 0.00 0.00 6.82 7.35 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 0.00 115 A 7.90 3.80 0.30 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 0.00 116 Y 7.38 4.55 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 0.00 117 Y 9.18 4.54 0.00 3.11 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 0.00 118 F 8.18 5.42 0.00 2.83 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 R 9.00 5.08 0.00 1.55 1.53 0.00 3.01 0.00 0.00 2.86 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.94 0.00 120 T 8.58 5.03 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 121 I 8.68 4.73 1.86 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 1.28 1.03 0.96 0.00 0.00 122 P 0.00 4.93 0.00 1.21 2.10 0.00 3.95 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.19 0.00 123 T 8.26 4.44 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 1.14 0.00 0.00 124 F 8.54 5.33 0.00 2.66 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 0.00 125 E 9.05 4.72 0.00 2.14 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 1.92 2.19 0.00 126 T 8.05 4.34 4.11 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 1.04 0.00 0.00 127 Y 8.13 4.87 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 0.00 128 S 7.75 4.78 0.00 4.05 4.02 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 0.00 129 P 0.00 4.34 0.00 2.23 2.18 0.00 3.65 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.11 0.00 130 K 7.59 3.93 0.00 1.49 1.69 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.81 1.23 7.81 131 Y 7.86 4.55 0.00 3.01 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 K 7.99 4.00 0.00 1.89 1.89 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.48 7.81 133 W 8.49 4.46 0.00 3.81 3.40 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 0.00 134 M 7.03 3.98 0.00 1.25 1.75 0.00 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.81 0.00 135 M 7.73 4.60 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.79 0.00 136 N 8.09 5.13 0.00 2.78 2.77 0.00 0.00 6.67 8.28 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 0.00 137 H 8.24 5.01 0.00 2.90 2.95 0.00 5.69 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 I 7.96 4.56 1.87 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.87 0.95 0.00 0.00 139 F 8.90 5.41 0.00 2.99 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 0.00 140 V 8.86 4.66 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 0.83 0.00 0.00 0.91 0.00 0.00 141 C 8.78 4.96 0.00 2.26 2.49 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 0.00 142 C 8.82 4.70 0.00 2.95 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 0.00 143 A 7.93 4.96 -0.32 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 0.00 144 S 8.65 4.96 0.00 3.74 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 R 8.78 5.02 0.00 1.80 1.93 0.00 2.74 0.00 0.00 2.48 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.35 0.00 146 L 8.19 4.61 0.00 1.82 1.62 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 147 P 0.00 3.56 0.00 2.34 1.65 0.00 3.66 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 2.03 2.18 0.00 148 E 8.92 4.84 0.00 1.86 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 2.30 2.30 0.00 149 N 7.96 5.51 0.00 2.66 2.81 0.00 0.00 6.41 7.68 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 0.00 150 V 8.18 4.20 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 0.69 0.00 0.00 0.89 0.00 0.00 151 L 8.78 4.92 0.00 1.78 1.54 0.99 0.81 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 0.00 152 L 9.02 4.92 0.00 1.68 1.14 1.02 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 153 K 8.68 4.76 0.00 1.75 1.36 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 1.32 7.81 154 F 8.75 4.93 0.00 1.86 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 0.00 155 Y 9.35 5.23 0.00 2.82 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 0.00 156 K 9.35 4.11 0.00 2.01 1.73 0.00 1.37 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.21 1.10 7.81 157 I 8.55 4.31 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 1.37 0.93 0.94 0.00 0.00 158 S 8.75 4.47 0.00 3.75 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.