NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.2985 8.0393 120.4137 62.7238 32.0691 175.6084 3 T 4.0725 8.2109 118.6583 60.3844 70.8300 173.5092 4 R 2.5100 8.1999 120.8566 59.0234 30.2067 179.2453 5 E 3.8545 7.8163 117.6052 59.0097 30.0916 178.0337 6 E 4.0033 7.9827 118.9288 59.1657 29.8274 178.1435 7 F 4.1210 8.3142 120.8183 61.7483 39.3522 177.3485 8 V 3.8095 8.2424 117.1156 65.5300 31.0303 177.7301 9 A 3.8057 7.7386 120.0559 54.2237 18.5559 182.2692 10 R 2.5100 7.6657 111.9735 56.3673 31.0932 176.4895 11 F 4.8957 6.0098 121.5782 57.1585 41.3770 177.4211 12 G 3.7278 8.3935 111.3785 48.2466 0.0000 174.9347 13 G 3.8372 7.8283 105.7391 45.5962 0.0000 174.7233 14 V 3.4932 7.6663 119.7936 65.0682 31.8630 175.8573 15 F 4.2206 8.0160 119.5604 55.1537 39.2617 174.7004 16 E 4.0696 8.7707 126.8332 58.4324 29.6704 175.6874 17 H 4.2050 8.6700 120.4068 56.8288 27.4227 175.4538 18 S 5.0681 7.9353 112.1489 56.5858 62.9189 173.8007 19 P 4.4419 0.0000 0.0000 65.9453 31.2587 178.0277 20 F 4.2428 8.5164 114.0901 59.9763 37.5082 177.2075 21 I 3.1537 6.5264 119.8906 64.1671 36.8159 178.1788 22 A 4.3106 7.7323 120.8332 54.9181 18.3993 179.1884 23 E 4.0073 8.5180 117.3682 59.9445 29.6715 179.9200 24 R 3.9829 8.3042 117.6489 59.2448 30.1382 178.8965 25 A 4.0410 8.1948 120.6044 55.4340 18.3165 179.1290 26 Y 3.2301 7.9623 118.0133 60.6728 38.6556 177.6523 27 D 4.5014 8.1295 118.1410 56.3075 41.0121 177.4563 28 A 4.3928 7.5252 119.8121 51.9050 18.8505 177.5389 29 G 3.8954 8.1457 107.7555 45.4762 0.0000 176.2930 30 G 3.3651 7.8440 111.1706 48.2871 0.0000 176.3286 31 A 3.9923 6.9472 120.7307 53.6546 18.3624 177.9472 32 G 3.8960 7.7873 103.5850 45.2416 0.0000 174.5367 33 L 4.1354 7.7411 121.0644 54.2159 42.1849 176.9881 34 E 4.0807 8.6477 122.2516 56.9319 29.9779 178.1349 35 L 4.4506 8.2900 124.7313 53.5608 40.4978 176.3304 36 T 4.8419 7.4693 111.7217 58.6814 73.5040 174.6003 37 A 3.8433 8.8199 124.8768 55.3320 18.3141 180.2804 38 K 4.1387 8.5820 116.8812 59.8240 32.2731 179.1498 39 A 3.9999 8.0783 120.5849 55.4717 18.3188 179.9088 40 V 3.4660 8.0092 116.5937 66.1708 31.4716 177.7625 41 H 4.3084 8.7196 118.5613 59.1886 29.7774 177.4154 42 G 3.6913 8.4510 107.4374 47.8057 0.0000 175.5591 43 A 4.0324 7.9899 123.0480 54.8326 18.4472 179.8116 44 L 3.9424 8.2888 117.8913 58.2019 41.7853 179.3895 45 C 4.2249 8.5368 116.8756 62.7887 27.8202 175.8794 46 A 3.9931 7.8654 121.2801 55.6518 18.1214 179.5376 47 Q 4.0764 7.8199 116.2935 58.9107 28.6397 178.7352 48 F 4.1916 8.0222 121.9338 61.2505 39.1555 177.4238 49 R 3.7508 8.5453 117.3036 57.8286 29.9674 178.1328 50 V 4.1940 7.0243 116.4120 60.5542 32.3997 175.9859 51 A 4.3318 6.7654 122.4585 51.6834 19.1785 177.9793 52 S 4.3839 9.0393 115.5965 58.1645 64.9737 175.4857 53 E 4.0040 8.6934 121.7569 59.4692 29.0892 179.3441 54 A 4.0254 8.0301 120.3204 55.3442 18.5635 179.4184 55 E 3.8753 8.1792 116.8754 59.6707 29.5653 179.7208 56 R 4.1785 8.2032 118.1107 59.3605 30.1162 178.8712 57 L 4.2721 8.6060 120.4810 58.1623 42.1699 179.2348 58 G 3.7655 8.4974 106.0355 47.7640 0.0000 175.9173 59 V 3.8190 7.6663 119.4230 65.8106 31.7895 177.8123 60 L 4.0901 7.9542 118.7741 58.0256 41.2350 179.8385 61 R 4.1600 8.0581 116.2934 58.7491 30.0700 178.3395 62 A 4.3066 7.7379 118.9879 53.0308 19.1660 177.3673 63 H 4.1339 7.4804 118.0805 55.3300 30.4815 173.4118 64 P 4.4758 0.0000 0.0000 62.4515 32.1412 176.3726 65 D 4.6968 8.4173 120.1877 52.6404 41.6680 177.0632 66 L 3.8421 8.5302 121.4221 58.5907 41.9151 178.9233 67 A 4.2126 8.2510 120.0592 55.3756 18.4084 179.6577 68 G 3.5819 8.5031 104.0813 47.8361 0.0000 176.1786 69 K 4.0428 7.9957 120.7174 59.2385 32.1009 179.4594 70 L 4.0210 8.3432 119.4294 57.7568 41.3102 179.4717 71 A 4.0826 8.1170 120.0105 55.1744 18.6609 179.4148 72 I 4.0444 8.0157 119.1664 63.7797 37.0892 178.4268 73 A 4.0644 8.2724 121.8424 55.3023 18.0801 179.7798 74 G 3.8652 8.3268 103.0239 48.1024 0.0000 175.1397 75 E 4.1738 8.1244 119.6309 58.1698 29.2385 178.3541 76 L 4.5257 7.9895 120.5082 56.7751 44.3263 179.4314 77 T 4.2555 7.5549 113.8845 60.3055 68.2099 177.8336 *88 G 4.0101 8.4281 101.0844 46.9812 0.0000 173.8557 89 L 4.2350 7.9704 118.5113 56.1389 42.3404 178.2670 90 D 4.6460 8.0383 117.7831 54.4263 40.0384 177.2179 91 R 4.7347 7.3312 119.6021 55.7085 30.8941 176.0298 92 L 4.3221 7.9096 116.9319 54.2382 42.5979 178.1532 93 S 4.2727 8.9883 118.6165 58.0043 64.7565 173.9738 94 P 4.2207 0.0000 0.0000 66.0992 31.1289 178.7494 95 Q 3.9152 7.9834 117.4591 59.2463 29.0118 178.0988 96 E 3.6519 7.9360 119.0286 59.4205 29.5401 178.4541 97 H 3.9241 8.2938 116.5219 59.1649 28.8179 177.4532 98 A 4.0053 7.9727 122.0482 55.1465 18.1307 179.6416 99 R 3.7475 7.8758 117.1677 59.4472 30.0416 178.6779 100 F 4.5475 8.0127 117.5930 61.0493 38.8621 177.5409 101 T 3.9341 7.9678 115.2508 66.9366 68.2966 176.3530 102 Q 3.9566 8.2527 121.2353 59.2180 29.0098 178.2635 103 L 3.6274 8.2799 120.5197 57.4227 41.4127 178.9252 104 N 4.4436 8.5227 117.5166 56.8308 38.9041 177.0507 105 S 4.1782 8.5408 116.6996 61.5927 63.0668 176.5674 106 A 4.0397 8.2686 123.4263 55.2644 18.1200 179.0739 107 Y 4.0241 8.5658 118.1547 61.3449 38.9639 178.1945 108 T 4.2911 8.4939 115.4435 64.5748 67.1669 175.6395 109 E 3.8893 8.0530 120.8512 58.7479 29.6631 178.3492 110 K 3.7306 7.4114 118.5943 58.5984 32.3625 177.9816 111 F 4.4582 7.8506 116.1171 56.5185 39.8262 176.9936 112 G 3.9584 9.5141 106.2081 45.0999 0.0000 172.6856 113 F 5.0594 7.0150 112.3843 54.5723 40.4750 171.8354 114 P 4.6270 0.0000 0.0000 62.2562 31.8013 176.0736 115 F 3.7495 8.7437 122.2565 57.7843 39.2193 174.4809 116 I 4.2021 7.5325 128.9827 59.2247 39.0577 175.1798 117 I 4.2248 7.5371 123.9132 59.2045 40.7784 173.9305 118 A 4.0678 9.2179 131.9694 52.3107 18.8392 177.2391 119 V 4.2370 8.1175 119.7574 61.8266 33.4793 175.2070 120 K 3.9176 8.0787 120.2852 58.7432 32.0663 176.4535 121 G 3.9467 8.9423 113.2304 45.6899 0.0000 172.6421 122 L 4.7914 7.8425 119.4178 52.9355 43.3679 176.5792 123 N 4.8666 9.2952 121.1212 51.1801 40.7957 176.0505 124 R 4.1136 8.4416 119.0312 60.1645 29.8499 177.7038 125 H 4.2329 8.2264 115.2134 59.2326 28.8116 177.0659 126 D 4.4478 8.9263 120.9022 57.6276 40.5692 179.3504 127 I 3.8387 7.6378 119.6931 64.4389 37.1917 178.1952 128 L 4.1182 8.0779 119.8623 58.0044 41.4244 179.7337 129 S 4.1213 8.5920 112.9556 61.3752 62.3523 176.0252 130 A 4.0931 8.0659 123.4343 55.0933 18.1177 179.1486 131 F 3.6096 8.6768 119.5496 61.4190 39.1828 176.3995 132 D 4.4664 8.2809 116.3938 58.0117 40.9104 178.4901 133 T 4.0365 8.0360 115.5661 66.9820 68.5769 177.0026 134 R 4.2248 8.4058 120.1298 58.9701 29.9154 178.8277 135 I 3.8614 7.7316 118.2732 63.6941 37.9103 176.6831 136 D 4.6932 7.5074 116.8920 53.8866 41.1380 176.1085 137 N 4.8358 7.7295 118.1173 52.6362 39.8078 174.4673 138 N 4.9603 9.3954 118.0016 51.5243 40.6397 175.7029 139 A 4.2675 8.7368 122.0009 55.7461 18.2414 179.8406 140 A 4.0529 8.1448 118.4862 55.2297 18.5161 179.7826 141 Q 3.9411 8.6109 116.5863 59.3733 28.8497 178.8909 142 E 4.0104 8.1430 119.3818 59.1768 29.2966 179.3398 143 F 4.0392 8.3491 120.3702 60.8878 39.4750 177.0596 144 A 4.0035 8.1684 120.4831 55.5587 18.1831 179.6590 145 T 3.7311 8.2791 114.1978 66.7594 68.5640 176.6891 146 A 3.8676 8.2624 123.1621 55.4060 18.1850 179.7928 147 T 3.9804 7.6971 108.4389 64.8388 68.4783 176.9404 148 G 3.6196 7.8262 107.8085 47.7427 0.0000 175.4572 149 Q 4.0625 8.1598 120.7152 58.5931 28.7314 178.8003 150 V 3.3572 7.8258 119.3087 65.7588 31.3616 178.1014 151 E 3.6816 8.4253 118.1753 61.1164 29.5827 182.7681 152 K 4.0019 7.7272 113.8904 57.1640 34.8339 176.8947 153 I 3.6467 7.9985 122.8132 64.4719 37.4264 178.2621 154 A 3.6453 7.7527 121.6576 54.7911 18.1143 179.4520 155 W 4.0218 8.3000 126.6624 60.6888 30.5837 178.1420 156 L 3.7182 7.7335 117.3868 57.6464 41.3003 179.5216 157 R 3.9115 8.3566 118.1521 59.2924 29.8470 178.9017 158 L 3.8402 7.6874 117.2996 57.9412 41.7189 179.3759 159 A 3.6861 7.4958 119.7457 54.3600 18.0829 178.3924 160 S 4.2722 7.2946 111.7828 58.2417 64.2668 174.1198 *162 L 4.1055 7.2281 120.4494 54.6343 42.8161 175.1098 163 P 4.4919 0.0000 0.0000 62.4617 32.3007 177.8832 164 E 3.8277 8.7436 120.3841 59.5547 29.8409 177.6877 165 G 4.0914 8.2944 110.5207 45.7785 0.0000 173.1807 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 V 8.04 4.30 2.33 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 1.37 0.00 0.00 1.09 0.00 0.00 3 T 8.21 4.07 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 4 R 8.20 2.51 0.00 1.37 1.66 0.00 3.08 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.02 0.00 5 E 7.82 3.85 0.00 1.94 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 2.33 0.00 6 E 7.98 4.00 0.00 2.07 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 2.31 2.26 0.00 7 F 8.31 4.12 0.00 3.53 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 8 V 8.24 3.81 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 1.09 0.00 0.00 1.12 0.00 0.00 9 A 7.74 3.81 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 10 R 7.67 2.51 0.00 1.63 0.66 0.00 2.87 0.00 0.00 2.88 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.86 0.00 11 F 6.01 4.90 0.00 2.59 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 12 G 8.39 3.73 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 0.00 0.00 0.00 13 G 7.83 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.67 3.49 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 0.60 0.00 0.00 0.99 0.00 0.00 15 F 8.02 4.22 0.00 2.99 2.82 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 16 E 8.77 4.07 0.00 1.76 1.85 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 2.25 2.19 0.00 17 H 8.67 4.21 0.00 3.34 3.39 0.00 5.89 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 S 7.94 5.07 0.00 3.99 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 19 P 0.00 4.44 0.00 2.33 2.37 0.00 3.97 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.11 0.00 20 F 8.52 4.24 0.00 3.31 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 21 I 6.53 3.15 1.56 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.26 0.41 0.00 0.00 22 A 7.73 4.31 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 0.00 0.00 0.00 0.00 0.00 23 E 8.52 4.01 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.63 0.00 24 R 8.30 3.98 0.00 1.91 2.03 0.00 3.33 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.97 0.00 25 A 8.19 4.04 1.58 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 0.00 0.00 26 Y 7.96 3.23 0.00 2.90 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 27 D 8.13 4.50 0.00 2.75 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 28 A 7.53 4.39 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 29 G 8.15 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.84 3.37 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 0.00 31 A 6.95 3.99 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 32 G 7.79 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.74 4.14 0.00 1.77 1.65 1.00 1.08 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 34 E 8.65 4.08 0.00 1.97 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 2.33 2.30 0.00 35 L 8.29 4.45 0.00 1.70 1.73 1.06 1.06 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 36 T 7.47 4.84 4.41 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 1.24 0.00 0.00 37 A 8.82 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.58 4.14 0.00 2.03 1.97 0.00 1.69 0.00 0.00 1.86 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.83 7.81 39 A 8.08 4.00 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 40 V 8.01 3.47 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 0.24 0.00 0.00 0.60 0.00 0.00 41 H 8.72 4.31 0.00 3.50 3.71 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.45 3.69 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 0.00 0.00 0.00 43 A 7.99 4.03 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 44 L 8.29 3.94 0.00 1.82 1.88 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 45 C 8.54 4.22 0.00 3.01 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 46 A 7.87 3.99 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 47 Q 7.82 4.08 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.76 0.00 0.00 0.00 0.00 0.00 2.55 2.74 0.00 48 F 8.02 4.19 0.00 2.33 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 49 R 8.55 3.75 0.00 1.98 1.93 0.00 3.37 0.00 0.00 3.28 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 50 V 7.02 4.19 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 0.78 0.00 0.00 0.92 0.00 0.00 51 A 6.77 4.33 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 9.04 4.38 0.00 4.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.69 4.00 0.00 1.95 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 2.35 2.21 0.00 54 A 8.03 4.03 1.32 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 55 E 8.18 3.88 0.00 2.30 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 2.00 2.24 0.00 56 R 8.20 4.18 0.00 2.15 1.93 0.00 3.02 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.66 0.00 57 L 8.61 4.27 0.00 2.07 1.99 1.30 1.44 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 58 G 8.50 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 59 V 7.67 3.82 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.29 0.00 0.00 60 L 7.95 4.09 0.00 1.82 1.41 0.76 -0.10 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 61 R 8.06 4.16 0.00 1.93 2.14 0.00 3.31 0.00 0.00 3.37 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 62 A 7.74 4.31 1.53 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 63 H 7.48 4.13 0.00 3.23 3.35 0.00 5.96 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.48 0.00 2.20 2.03 0.00 3.26 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.84 0.00 65 D 8.42 4.70 0.00 3.06 2.94 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 66 L 8.53 3.84 0.00 1.74 1.67 0.82 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.25 4.21 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 68 G 8.50 3.58 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 0.00 0.00 0.00 69 K 8.00 4.04 0.00 1.96 1.85 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.64 7.81 70 L 8.34 4.02 0.00 1.93 1.84 1.12 1.14 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 71 A 8.12 4.08 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 72 I 8.02 4.04 1.97 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 1.32 0.89 0.00 0.00 73 A 8.27 4.06 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 G 8.33 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 75 E 8.12 4.17 0.00 2.22 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 76 L 7.99 4.53 0.00 1.56 1.67 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 77 T 7.55 4.26 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 *88 G 8.43 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 89 L 7.97 4.23 0.00 1.69 1.79 0.96 1.29 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 90 D 8.04 4.65 0.00 2.83 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 91 R 7.33 4.73 0.00 1.75 1.93 0.00 3.16 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 92 L 7.91 4.32 0.00 1.48 1.38 0.77 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 93 S 8.99 4.27 0.00 3.90 3.84 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 0.00 0.00 0.00 94 P 0.00 4.22 0.00 2.13 2.10 0.00 3.58 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 2.10 2.15 0.00 95 Q 7.98 3.92 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 96 E 7.94 3.65 0.00 1.86 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 2.18 2.24 0.00 97 H 8.29 3.92 0.00 3.38 3.37 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 7.97 4.01 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 99 R 7.88 3.75 0.00 1.89 1.81 0.00 3.00 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 100 F 8.01 4.55 0.00 3.23 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 0.00 101 T 7.97 3.93 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 102 Q 8.25 3.96 0.00 2.10 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 103 L 8.28 3.63 0.00 1.27 0.24 0.57 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 104 N 8.52 4.44 0.00 2.87 3.08 0.00 0.00 7.19 7.46 0.00 0.00 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 S 8.54 4.18 0.00 4.06 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.27 4.04 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 0.00 107 Y 8.57 4.02 0.00 3.55 3.38 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 0.00 108 T 8.49 4.29 4.51 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 1.51 0.00 0.00 109 E 8.05 3.89 0.00 2.05 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 0.00 2.30 2.29 0.00 110 K 7.41 3.73 0.00 1.42 1.11 0.00 1.46 0.00 0.00 1.16 0.00 0.00 2.76 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.30 0.87 7.81 111 F 7.85 4.46 0.00 1.95 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 0.00 0.00 0.00 112 G 9.51 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 0.00 113 F 7.02 5.06 0.00 3.28 3.28 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 0.00 114 P 0.00 4.63 0.00 2.24 2.21 0.00 4.12 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.25 0.00 115 F 8.74 3.75 0.00 2.38 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 0.00 116 I 7.53 4.20 1.67 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 1.17 0.97 0.57 0.00 0.00 117 I 7.54 4.22 1.05 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 1.20 0.42 0.64 0.00 0.00 118 A 9.22 4.07 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 0.00 119 V 8.12 4.24 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 0.98 0.00 0.00 0.89 0.00 0.00 120 K 8.08 3.92 0.00 1.74 1.74 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.46 7.81 121 G 8.94 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 0.00 122 L 7.84 4.79 0.00 1.88 1.60 0.93 0.90 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 0.00 123 N 9.30 4.87 0.00 2.96 3.00 0.00 0.00 6.49 7.52 0.00 0.00 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 R 8.44 4.11 0.00 1.91 1.91 0.00 2.97 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 125 H 8.23 4.23 0.00 3.45 3.38 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 D 8.93 4.45 0.00 2.85 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 0.00 127 I 7.64 3.84 2.10 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.66 0.63 0.00 0.00 128 L 8.08 4.12 0.00 1.95 1.83 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 129 S 8.59 4.12 0.00 3.94 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 0.00 130 A 8.07 4.09 1.59 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 0.00 0.00 0.00 0.00 0.00 0.00 131 F 8.68 3.61 0.00 2.62 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 0.00 132 D 8.28 4.47 0.00 3.12 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 0.00 133 T 8.04 4.04 4.43 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 1.25 0.00 0.00 134 R 8.41 4.22 0.00 2.11 2.47 0.00 3.20 0.00 0.00 3.43 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.82 0.00 135 I 7.73 3.86 0.71 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 1.41 0.50 0.81 0.00 0.00 136 D 7.51 4.69 0.00 2.86 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 0.00 137 N 7.73 4.84 0.00 2.96 2.93 0.00 0.00 6.87 7.46 0.00 0.00 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 N 9.40 4.96 0.00 2.99 3.00 0.00 0.00 7.28 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 0.00 139 A 8.74 4.27 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.14 4.05 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 Q 8.61 3.94 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.73 0.00 0.00 0.00 0.00 0.00 2.41 2.64 0.00 142 E 8.14 4.01 0.00 1.59 1.67 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 1.94 1.47 0.00 143 F 8.35 4.04 0.00 3.46 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 0.00 144 A 8.17 4.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.28 3.73 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 1.19 0.00 0.00 146 A 8.26 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 T 7.70 3.98 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 0.56 0.00 0.00 148 G 7.83 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 0.00 149 Q 8.16 4.06 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.72 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 150 V 7.83 3.36 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 0.58 0.00 0.00 0.75 0.00 0.00 151 E 8.43 3.68 0.00 2.30 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 0.00 2.64 2.88 0.00 152 K 7.73 4.00 0.00 2.06 2.00 0.00 1.64 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.46 7.81 153 I 8.00 3.65 1.85 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.63 0.81 0.00 0.00 154 A 7.75 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 W 8.30 4.02 0.00 3.06 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 L 7.73 3.72 0.00 1.74 1.62 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 157 R 8.36 3.91 0.00 1.78 1.86 0.00 2.95 0.00 0.00 3.03 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 158 L 7.69 3.84 0.00 1.54 1.54 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 159 A 7.50 3.69 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 S 7.29 4.27 0.00 3.97 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 *162 L 7.23 4.11 0.00 1.74 1.65 0.90 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 163 P 0.00 4.49 0.00 2.18 1.96 0.00 3.78 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 2.12 2.10 0.00 164 E 8.74 3.83 0.00 2.10 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 0.00 2.27 2.24 0.00 165 G 8.29 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.