NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1382 8.0249 118.5479 59.7370 37.2345 173.9333 2 I 4.3350 8.1518 117.8789 60.2507 38.9053 170.2329 3 V 4.3576 8.5171 126.0843 61.9871 35.0619 175.9646 4 T 4.4739 8.3950 118.7430 59.3872 69.7106 169.9442 5 Q 3.7779 8.1061 125.5069 54.3204 29.2191 177.7106 6 T 4.5094 8.1533 112.9444 60.1857 71.3958 173.7686 7 M 4.2887 8.4104 125.2438 55.9036 32.7893 176.4086 8 K 4.1693 8.7687 130.0711 55.2229 32.7109 173.6692 9 D 4.3394 8.6759 125.6538 54.0098 38.4053 174.2618 10 L 4.0212 7.8076 118.9397 55.4474 43.2647 175.4968 11 D 4.7413 9.1315 126.0126 52.7427 40.8341 176.8235 12 V 3.9495 8.2254 126.6752 65.0640 31.1835 177.3213 13 Q 4.0696 8.1640 117.4923 58.6255 28.3652 177.6542 14 K 4.1934 7.7159 117.5274 57.5913 32.3214 177.9073 15 V 4.3878 7.4751 111.3343 61.4255 32.1106 176.3735 16 A 4.3184 7.3677 122.7749 53.6895 19.3421 176.4973 17 G 3.8702 8.4065 105.4513 44.4495 0.0000 172.4033 18 T 4.8753 8.1266 117.1753 62.4553 69.8070 174.4138 19 W 5.3309 8.4488 124.2321 55.3073 33.9786 173.9773 20 Y 5.0155 9.2888 117.6606 56.3849 41.7698 175.5470 21 S 4.7154 8.9910 119.4983 58.6330 62.8043 173.7054 22 L 4.5039 9.0667 128.7992 57.2872 43.3645 176.3673 23 A 5.2304 7.6297 118.0336 50.6753 23.1599 174.8598 24 M 5.4369 9.2532 117.7512 53.8999 37.0441 174.2964 25 A 5.2800 9.2436 121.3591 50.6538 23.4430 174.8610 26 A 5.2605 8.9299 120.5852 50.1534 22.7631 177.3465 27 S 4.8621 8.7127 113.5056 59.3666 64.2592 174.1357 28 D 4.9219 7.8502 120.3703 52.0185 43.5535 176.0998 29 I 3.7550 8.5724 127.6832 64.4827 37.3491 178.4153 30 S 4.1091 8.0667 115.7105 61.5705 63.1258 176.3475 *31 L 4.1745 8.1501 121.6935 56.3659 40.7180 182.7763 32 L 4.7562 7.6880 113.8432 54.1330 43.2424 176.0473 33 D 4.3962 8.2131 119.4552 56.9831 40.4046 175.6081 34 A 4.1230 8.7627 128.0919 51.4155 18.4455 178.6322 35 Q 4.1255 8.8989 119.2512 58.9918 28.8638 178.8552 36 S 4.6736 8.0623 109.2218 58.5725 64.0789 174.2856 37 A 4.2360 7.7965 125.7653 51.4830 18.7842 176.8174 38 P 4.3021 0.0000 0.0000 65.4606 31.4422 177.3919 39 L 4.5607 7.6107 116.1350 54.2930 41.6042 177.3716 40 R 4.2047 7.5593 121.2420 55.2554 28.3927 174.9771 41 V 4.7396 7.5398 114.6398 59.1677 35.8623 174.2254 42 Y 4.4881 8.7556 122.2845 55.9053 40.0924 175.6136 43 V 3.9986 8.9127 125.6969 63.1801 31.9963 175.0626 44 E 4.4864 9.0022 126.6425 57.4853 32.4881 175.1285 45 E 5.1545 7.6305 116.3951 55.3177 33.4417 174.1727 46 L 5.0414 8.8367 124.5694 53.0537 45.0431 175.7183 47 K 4.8532 9.1517 124.7591 53.6425 33.3253 173.9753 48 P 4.9241 0.0000 0.0000 62.6375 32.3748 175.8787 49 T 4.5822 8.0690 112.7338 59.4519 71.0491 174.0449 50 P 4.2584 0.0000 0.0000 65.5842 31.5061 178.2514 51 G 3.6242 7.9628 105.4263 46.7493 0.0000 174.1585 52 G 4.0644 8.0855 108.0251 45.0199 0.0000 173.9046 53 D 4.8758 8.0185 120.1730 54.6577 43.2663 175.1174 54 L 4.2644 8.0104 120.4010 54.9019 44.6858 174.0480 55 E 4.4901 8.9129 129.2396 55.7402 31.0810 174.9033 56 I 4.7162 8.8044 127.6160 59.1936 40.6183 173.8040 57 L 5.1438 8.5964 130.0907 53.3588 43.5752 175.7816 58 L 5.2855 8.5692 123.0143 54.2994 44.8774 174.9307 59 Q 5.1907 9.0771 116.1002 54.3085 33.4175 175.0806 60 K 4.9599 8.7899 122.7077 54.5355 35.6381 175.1562 61 W 4.6296 9.2717 135.0000 58.3276 30.6975 174.2861 62 E 4.5454 8.4445 124.9131 57.4208 33.4253 175.5587 63 N 4.4088 8.0721 111.2449 53.6797 39.1118 175.1769 64 G 3.5277 8.9781 107.3897 46.0052 0.0000 173.7256 65 K 4.4174 6.5985 118.9275 54.1673 35.6660 176.0998 66 C 4.9059 8.7153 120.2246 56.9772 35.9554 172.8523 67 A 4.8224 8.9858 128.2761 50.5444 21.3081 175.9999 68 Q 4.6738 8.7894 123.5127 55.5406 29.3387 172.4965 69 K 4.7339 9.0115 122.2593 53.7323 36.2659 175.4595 70 K 4.7100 8.6343 121.7766 54.9411 34.6567 175.8666 71 I 4.2843 8.6728 128.0092 59.4791 38.7547 175.3138 72 I 4.2244 8.3430 128.8398 60.8076 37.9887 175.5271 73 A 4.8024 8.8264 129.6801 50.2924 20.9457 175.0461 74 E 4.9681 9.1128 122.6762 55.5091 31.4938 176.7756 75 K 4.3731 8.5826 122.6275 57.3871 33.5862 176.0557 76 T 4.6591 7.8932 113.3531 60.1173 71.8825 173.8596 77 E 4.0162 8.7798 116.1999 58.6208 29.7706 173.5725 78 I 4.3002 7.1604 118.3913 59.4317 38.2412 175.2792 79 P 4.0092 0.0000 0.0000 65.0228 31.5117 177.0367 80 A 4.4656 7.7848 118.6243 51.9360 19.4131 175.7180 81 V 4.7564 6.9839 116.8115 61.0060 33.3597 175.0121 82 F 5.0607 9.6806 128.2054 56.1877 43.2481 174.5388 83 K 5.2275 9.0094 124.3924 53.5775 34.4633 176.4558 84 I 4.9574 8.1682 117.4124 58.5467 41.7115 174.4439 85 D 5.1634 8.2886 120.7802 51.7680 41.1870 173.4828 86 A 4.4085 9.2292 122.4771 51.8596 22.7656 176.5172 87 L 3.7783 9.4245 118.1409 55.7075 39.3955 174.6860 88 N 4.2684 8.4194 110.9790 54.2047 36.3334 173.8511 89 E 4.8360 8.2912 117.4502 54.8474 32.2525 175.9085 90 N 5.8499 8.7820 116.0046 51.0929 39.7722 173.4659 91 K 4.7456 7.9530 120.6555 55.8217 36.0361 174.2325 92 V 4.9659 8.7590 127.9344 61.2608 33.8792 174.1653 93 L 5.2914 9.2782 128.0855 52.8361 44.8027 175.9488 94 V 4.1814 8.8651 125.7348 62.8669 31.6961 176.6044 95 L 4.4733 8.7654 128.9345 55.7893 42.5199 177.1367 96 D 4.4325 7.7073 116.6441 54.5055 43.5937 174.5843 97 T 3.7876 7.6512 116.7754 61.5627 69.7342 172.4093 98 D 4.5890 7.1176 123.4308 52.3715 39.9868 177.0122 99 Y 4.1353 7.7038 125.5548 60.4138 37.5615 171.9590 100 K 4.2755 8.0364 118.7237 56.1157 32.6349 178.5898 101 K 4.7065 8.2195 115.0977 57.7412 34.4490 175.8818 102 Y 5.7842 8.7641 117.5903 55.3348 41.7165 173.9281 103 L 4.6020 9.2354 122.7831 53.7699 45.7935 174.4918 104 L 5.2834 8.9410 126.9972 53.4827 43.8411 175.7452 105 F 5.5654 8.8688 117.3241 56.2635 42.3040 172.3084 106 C 5.3545 9.5348 115.3203 55.8049 45.2697 173.3670 107 M 5.6555 9.2706 119.6778 53.9721 34.6318 174.0006 108 E 5.3058 8.8877 116.2284 55.9466 33.8846 173.3448 109 N 5.4827 8.4478 119.6824 52.0205 40.2949 175.6530 110 S 4.3196 9.5164 121.4428 60.0438 63.6028 175.3003 111 A 4.1913 8.2657 124.2621 54.7498 18.4728 177.9105 112 E 4.7713 8.0522 115.0987 54.4313 30.5674 174.3412 113 P 4.4162 0.0000 0.0000 65.4832 32.2595 178.7624 114 E 4.0122 8.2088 119.8185 59.4415 29.7101 178.0110 115 Q 4.3931 7.9868 113.9938 57.0776 28.9097 176.4333 116 S 4.7263 7.5351 111.7382 57.8625 64.9220 173.8790 117 L 4.5298 7.7706 122.8729 54.5928 43.0356 175.3327 118 A 5.2232 8.9625 127.7387 50.3684 22.4163 174.0414 119 C 5.2802 9.0657 118.0198 55.3206 45.1581 173.0421 120 Q 4.7421 8.3115 117.9682 54.4782 33.5132 173.5678 121 C 4.5888 7.2936 122.0898 57.9510 33.0987 172.2929 122 L 5.4539 9.1111 126.6571 53.3717 43.9380 176.0138 123 V 5.8913 8.9073 114.7012 58.9497 35.5298 176.7566 124 R 3.7446 8.7853 120.8898 57.8768 30.6835 177.1795 125 T 4.7356 7.7820 107.0571 58.9318 71.8214 172.8388 126 P 4.1199 0.0000 0.0000 61.7157 29.6981 175.2750 127 E 4.6348 7.2622 118.1943 55.0026 34.0267 177.0408 128 V 3.7858 8.1167 121.1131 61.1184 30.2330 174.9329 129 D 4.5260 8.5186 128.8696 55.0815 41.5570 176.4422 *130 D 4.4375 8.6706 130.2293 58.4313 39.9203 174.6646 131 E 4.1772 8.2310 118.5061 59.0099 29.4881 179.0956 132 A 3.6303 8.3100 121.4287 55.2389 18.3679 179.6194 133 M 4.1347 7.8837 117.1211 58.4775 32.0619 178.7806 134 E 3.9633 7.8850 118.2680 59.4009 29.5393 179.6411 135 K 3.9722 7.7590 118.6052 59.1249 32.0966 179.0651 136 F 4.2906 8.1875 121.0809 61.6343 39.1843 176.7873 137 D 4.1970 8.5066 117.7928 57.1443 40.7385 178.2919 138 K 3.9912 7.8357 118.0839 59.0368 32.1887 178.8015 139 A 4.0829 8.0036 120.5887 54.9644 18.4923 179.1371 140 L 3.9829 7.6415 116.7302 56.5420 41.6309 179.0645 141 K 3.9135 7.5189 118.6717 58.2098 31.9657 176.8528 142 A 4.6918 7.6421 120.0250 51.5559 19.5891 175.1518 143 L 4.6775 7.7875 118.8349 53.8487 44.4804 175.9409 144 P 4.5045 0.0000 0.0000 62.0400 30.0705 175.4585 145 M 4.6640 7.3630 118.8080 55.8517 33.3874 176.3662 146 H 4.9533 8.7243 118.6181 55.3569 30.6420 173.6972 147 I 4.4885 7.4808 119.6810 59.8069 41.1542 173.2085 148 R 5.1429 8.6680 129.2367 54.5866 32.9842 174.4153 149 L 4.8876 9.3076 124.5638 53.0288 46.0958 175.5512 150 S 4.9052 8.2336 115.7317 56.5100 66.5088 172.9023 151 F 5.0680 8.4896 119.1678 55.5074 41.7936 175.4175 152 N 4.7107 8.8050 119.6827 51.5926 38.5961 174.1738 153 P 4.2118 0.0000 0.0000 66.0303 31.1427 179.2073 154 T 4.0637 7.9522 114.2494 66.6202 68.2722 176.6324 155 Q 3.9873 8.1584 118.9636 58.8552 28.8148 178.3851 156 L 4.1648 7.8171 118.9473 58.2310 41.8120 179.4401 157 E 4.1036 7.9189 116.3797 58.1594 30.1329 178.0547 158 E 4.7009 8.5325 122.4726 61.7219 28.6752 179.6814 159 Q 3.3603 7.3618 114.0882 57.6200 25.1714 175.0959 160 C 2.5112 8.2502 120.8498 54.0114 40.1347 174.9089 161 R 4.1188 6.8214 114.9833 54.4237 29.9398 176.5084 162 V 3.8473 7.8665 119.3563 63.0450 31.5432 175.3632 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 1 I 8.02 4.14 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 1.41 1.21 0.91 0.00 0.00 2 I 8.15 4.34 1.86 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 1.28 1.20 0.90 0.00 0.00 3 V 8.52 4.36 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 0.79 0.00 0.00 0.92 0.00 0.00 4 T 8.39 4.47 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 5 Q 8.11 3.78 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.76 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 6 T 8.15 4.51 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 7 M 8.41 4.29 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.51 0.00 8 K 8.77 4.17 0.00 1.58 1.59 0.00 2.01 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.35 1.04 7.81 9 D 8.68 4.34 0.00 2.81 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 10 L 7.81 4.02 0.00 1.66 1.66 1.09 1.43 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 11 D 9.13 4.74 0.00 2.75 2.34 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 12 V 8.23 3.95 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 1.06 0.00 0.00 1.24 0.00 0.00 13 Q 8.16 4.07 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.64 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 14 K 7.72 4.19 0.00 1.23 1.39 0.00 1.26 0.00 0.00 1.49 0.00 0.00 2.78 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.26 1.26 7.81 15 V 7.48 4.39 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 0.84 0.00 0.00 0.98 0.00 0.00 16 A 7.37 4.32 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 17 G 8.41 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 18 T 8.13 4.88 4.09 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 0.91 0.00 0.00 19 W 8.45 5.33 0.00 2.97 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 20 Y 9.29 5.02 0.00 2.99 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 21 S 8.99 4.72 0.00 3.79 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 22 L 9.07 4.50 0.00 1.84 1.66 0.95 0.75 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 23 A 7.63 5.23 0.96 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 24 M 9.25 5.44 0.00 1.88 1.92 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.45 0.00 25 A 9.24 5.28 1.17 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 26 A 8.93 5.26 1.20 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 27 S 8.71 4.86 0.00 3.97 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 28 D 7.85 4.92 0.00 2.69 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.57 3.75 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 1.61 0.48 0.92 0.00 0.00 30 S 8.07 4.11 0.00 4.00 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 *31 L 8.15 4.17 0.00 1.60 1.72 0.92 0.34 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 32 L 7.69 4.76 0.00 1.57 1.69 0.94 1.03 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 33 D 8.21 4.40 0.00 2.72 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 34 A 8.76 4.12 1.48 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 35 Q 8.90 4.13 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.87 0.00 0.00 0.00 0.00 0.00 2.29 1.72 0.00 36 S 8.06 4.67 0.00 4.07 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.80 4.24 1.48 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 38 P 0.00 4.30 0.00 2.22 2.23 0.00 3.95 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 39 L 7.61 4.56 0.00 1.68 1.72 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 40 R 7.56 4.20 0.00 1.81 1.97 0.00 3.30 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.62 0.00 41 V 7.54 4.74 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.01 0.00 0.00 42 Y 8.76 4.49 0.00 2.89 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 43 V 8.91 4.00 2.17 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 0.72 0.00 0.00 1.03 0.00 0.00 44 E 9.00 4.49 0.00 2.16 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 2.15 2.20 0.00 45 E 7.63 5.15 0.00 2.02 1.70 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 2.34 2.31 0.00 46 L 8.84 5.04 0.00 1.88 1.52 0.65 0.01 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 47 K 9.15 4.85 0.00 1.59 1.71 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.36 7.81 48 P 0.00 4.92 0.00 2.11 2.05 0.00 3.66 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 49 T 8.07 4.58 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 1.20 0.00 0.00 50 P 0.00 4.26 0.00 2.06 2.16 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 51 G 7.96 3.62 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 0.00 0.00 0.00 52 G 8.09 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 53 D 8.02 4.88 0.00 2.66 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 54 L 8.01 4.26 0.00 1.24 0.87 0.73 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.91 4.49 0.00 2.06 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 2.26 2.20 0.00 56 I 8.80 4.72 1.61 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 1.08 1.42 0.74 0.00 0.00 57 L 8.60 5.14 0.00 1.64 1.56 0.97 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.57 5.29 0.00 1.96 1.76 0.97 0.46 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 59 Q 9.08 5.19 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 60 K 8.79 4.96 0.00 1.90 1.67 0.00 1.69 0.00 0.00 1.86 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.49 7.81 61 W 9.27 4.63 0.00 3.49 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 62 E 8.44 4.55 0.00 1.80 1.81 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 2.24 2.34 0.00 63 N 8.07 4.41 0.00 2.47 2.17 0.00 0.00 6.90 7.98 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 64 G 8.98 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 6.60 4.42 0.00 1.44 1.52 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.75 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.29 1.23 7.81 66 C 8.72 4.91 0.00 2.88 3.06 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 67 A 8.99 4.82 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 68 Q 8.79 4.67 0.00 1.85 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.70 0.00 0.00 0.00 0.00 0.00 2.28 1.96 0.00 69 K 9.01 4.73 0.00 1.64 1.69 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.54 7.81 70 K 8.63 4.71 0.00 1.58 1.84 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.41 7.81 71 I 8.67 4.28 1.80 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 1.21 0.65 0.86 0.00 0.00 72 I 8.34 4.22 1.86 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 1.26 0.31 0.90 0.00 0.00 73 A 8.83 4.80 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 74 E 9.11 4.97 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 75 K 8.58 4.37 0.00 1.68 2.07 0.00 1.43 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.47 7.81 76 T 7.89 4.66 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 77 E 8.78 4.02 0.00 2.01 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 2.23 1.92 0.00 78 I 7.16 4.30 1.77 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 1.24 1.30 0.87 0.00 0.00 79 P 0.00 4.01 0.00 2.02 2.09 0.00 3.61 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 80 A 7.78 4.47 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 81 V 6.98 4.76 1.95 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 0.77 0.00 0.00 0.89 0.00 0.00 82 F 9.68 5.06 0.00 2.97 2.88 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 0.00 0.00 0.00 83 K 9.01 5.23 0.00 1.41 1.65 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.27 1.22 7.81 84 I 8.17 4.96 1.88 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 1.20 0.76 0.96 0.00 0.00 85 D 8.29 5.16 0.00 2.64 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 86 A 9.23 4.41 1.22 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 87 L 9.42 3.78 0.00 1.80 1.77 0.96 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 88 N 8.42 4.27 0.00 2.88 2.91 0.00 0.00 6.97 7.66 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 89 E 8.29 4.84 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.39 0.00 90 N 8.78 5.85 0.00 2.82 2.97 0.00 0.00 6.30 5.96 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 91 K 7.95 4.75 0.00 1.98 1.69 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.56 1.46 7.81 92 V 8.76 4.97 2.17 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 0.61 0.00 0.00 0.88 0.00 0.00 93 L 9.28 5.29 0.00 1.59 1.60 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 94 V 8.87 4.18 2.20 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 0.98 0.00 0.00 1.03 0.00 0.00 95 L 8.77 4.47 0.00 1.64 1.77 1.03 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 96 D 7.71 4.43 0.00 2.82 2.65 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 0.00 0.00 0.00 0.00 97 T 7.65 3.79 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 0.54 0.00 0.00 98 D 7.12 4.59 0.00 2.77 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.70 4.14 0.00 3.22 3.32 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 0.00 100 K 8.04 4.28 0.00 1.77 1.72 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 1.02 7.81 101 K 8.22 4.71 0.00 2.20 1.93 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.42 7.81 102 Y 8.76 5.78 0.00 3.11 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 111 A 8.27 4.19 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 0.00 112 E 8.05 4.77 0.00 1.97 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 2.23 2.38 0.00 113 P 0.00 4.42 0.00 2.18 2.31 0.00 3.77 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 114 E 8.21 4.01 0.00 1.99 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 2.37 2.27 0.00 115 Q 7.99 4.39 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 116 S 7.54 4.73 0.00 3.83 4.09 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 0.00 117 L 7.77 4.53 0.00 2.07 1.54 0.93 0.99 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 0.00 118 A 8.96 5.22 1.19 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 0.00 0.00 119 C 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 128 V 8.12 3.79 2.09 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 0.68 0.00 0.00 0.94 0.00 0.00 129 D 8.52 4.53 0.00 2.79 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 *130 D 8.67 4.44 0.00 2.73 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 0.00 131 E 8.23 4.18 0.00 1.90 1.95 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 2.39 2.31 0.00 132 A 8.31 3.63 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 M 7.88 4.13 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.85 0.00 134 E 7.89 3.96 0.00 2.14 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 2.31 2.45 0.00 135 K 7.76 3.97 0.00 1.66 1.78 0.00 0.85 0.00 0.00 1.53 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.40 7.81 136 F 8.19 4.29 0.00 3.14 3.22 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 0.00 137 D 8.51 4.20 0.00 2.86 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 0.00 138 K 7.84 3.99 0.00 1.78 1.82 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.57 7.81 139 A 8.00 4.08 1.35 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 0.00 0.00 0.00 140 L 7.64 3.98 0.00 1.70 1.47 -0.12 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 141 K 7.52 3.91 0.00 1.79 1.80 0.00 1.81 0.00 0.00 1.66 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.45 7.81 142 A 7.64 4.69 1.20 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 0.00 143 L 7.79 4.68 0.00 1.49 1.50 0.83 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 144 P 0.00 4.50 0.00 2.29 2.19 0.00 3.64 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 145 M 7.36 4.66 0.00 1.93 1.91 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 146 H 8.72 4.95 0.00 3.11 3.26 0.00 5.85 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 I 7.48 4.49 1.88 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 1.23 1.51 1.03 0.00 0.00 148 R 8.67 5.14 0.00 1.78 1.72 0.00 3.16 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 149 L 9.31 4.89 0.00 1.34 1.12 1.01 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 150 S 8.23 4.91 0.00 3.73 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 0.00 151 F 8.49 5.07 0.00 3.06 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 0.00 152 N 8.80 4.71 0.00 2.96 2.97 0.00 0.00 6.22 7.76 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 0.00 153 P 0.00 4.21 0.00 2.15 2.28 0.00 3.60 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 154 T 7.95 4.06 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 1.20 0.00 0.00 155 Q 8.16 3.99 0.00 2.37 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.89 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 156 L 7.82 4.16 0.00 1.65 1.47 0.88 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 157 E 7.92 4.10 0.00 2.09 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 2.25 2.30 0.00 158 E 8.53 4.70 0.00 1.91 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 0.00 2.45 2.42 0.00 159 Q 7.36 3.36 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 5.55 0.00 0.00 0.00 0.00 0.00 2.25 1.95 0.00 160 C 8.25 2.51 0.00 3.03 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 R 6.82 4.12 0.00 1.73 1.97 0.00 3.11 0.00 0.00 3.22 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.48 0.00 162 V 7.87 3.85 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.06 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.