NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 M 4.3092 8.3001 118.7933 54.4431 33.4862 174.4445 2 A 4.2260 8.2812 122.4623 51.0435 20.5365 174.8741 3 N 4.3730 8.1468 112.1424 53.1751 43.4012 175.2958 4 L 4.7165 8.1549 127.1150 53.1751 41.3453 179.4302 5 E 4.9467 8.1551 126.2036 60.1696 34.6053 174.7925 6 R 4.7537 7.6916 117.6051 57.3064 32.7679 174.7124 7 T 4.7898 8.5466 119.3891 60.5662 71.9761 171.8065 8 F 5.2927 8.7749 126.9823 56.7600 41.3122 174.1294 9 I 4.4207 8.1763 127.2134 59.1902 40.0629 174.4688 10 A 4.6635 8.6346 128.4507 49.9828 22.2778 174.8670 11 I 4.4712 8.6819 124.6457 59.6673 38.2404 176.0043 12 K 4.3320 8.5172 126.8877 55.7924 33.0645 176.6298 13 P 4.5259 0.0000 0.0000 65.4507 31.1670 178.6590 14 D 4.5748 8.3013 117.2690 56.3403 39.3993 178.7044 15 G 3.5746 8.2153 107.2620 47.4717 0.0000 175.9550 16 V 3.6479 7.7450 120.2537 66.0063 31.5467 177.9422 17 Q 4.1106 8.3167 116.7469 58.7480 28.5924 178.2130 18 R 4.3849 8.0405 116.4473 54.9477 31.3158 176.4233 19 G 3.8232 7.9464 106.3087 47.3426 0.0000 174.3722 20 L 4.4774 7.8692 113.8608 54.1873 43.3122 179.7607 21 V 3.6160 7.9009 120.2527 66.1191 31.4311 178.1003 22 G 3.6513 8.0058 104.9037 47.9043 0.0000 175.1463 23 E 3.9612 8.0094 120.6175 59.1715 29.2103 179.4747 24 I 3.7996 7.6305 119.6624 64.3779 37.1774 178.5781 25 I 3.8846 7.9877 120.6991 64.3121 36.9241 178.0586 26 K 4.0217 8.3503 120.8061 60.0007 32.0684 178.6691 27 R 4.1077 7.8638 119.1796 58.8473 29.6946 179.1440 28 F 3.7963 7.8824 117.1276 60.0276 38.6682 177.6774 29 E 4.2368 8.2750 118.6422 59.5780 29.2480 179.4246 30 Q 4.0569 8.3468 117.4807 58.7283 28.2363 178.2491 31 K 3.8845 7.2225 119.9648 57.5538 32.2338 177.2636 32 G 4.0051 7.6461 105.5057 44.8569 0.0000 173.5263 33 F 5.3746 7.5249 118.4084 57.0640 40.2155 175.1466 34 R 4.8796 9.1137 118.7980 54.1713 31.8621 174.8725 35 L 2.9171 8.3745 125.2002 55.0231 41.7786 176.3225 36 V 3.8843 8.4352 128.3913 65.3909 32.7332 175.5872 37 A 4.7457 7.1029 119.2198 51.2342 22.5823 174.9191 38 M 5.2675 8.2321 117.5577 54.6177 35.3351 173.9875 39 K 4.8973 9.7093 124.7421 55.4391 36.8835 174.4831 40 F 5.5451 8.7169 124.2571 56.6826 41.1448 174.3671 41 L 4.2155 8.2313 124.4003 55.1909 44.1925 174.4274 42 R 4.4616 8.3624 120.8142 54.1781 29.3524 175.4120 43 A 3.9848 8.5101 128.6204 51.9225 18.9734 178.0785 44 S 4.4385 8.4168 118.5224 58.2733 65.1282 175.0870 45 E 3.9727 8.7846 123.1128 59.6876 29.0707 179.3943 46 E 3.9034 8.0710 118.6499 59.6154 29.8529 178.1832 47 H 3.9962 8.0910 118.1970 59.2562 29.7742 177.2057 48 L 4.0262 8.3020 121.1953 57.7262 41.2171 179.6240 49 K 4.4160 8.3134 118.0382 59.6506 32.1442 179.1278 50 Q 4.1361 7.9252 118.5246 59.2409 28.4143 178.2227 51 H 4.0436 7.9760 118.1410 58.4112 29.9980 175.8776 52 Y 5.0289 8.1511 117.9848 57.6390 39.0894 177.8716 53 I 3.6191 7.5288 124.0626 64.8779 37.3239 177.9825 54 D 4.5898 8.1424 116.6490 55.8930 40.7570 176.5194 55 L 4.7713 8.2330 119.3513 54.0992 42.7719 178.1934 56 K 2.4800 7.6586 118.6220 57.9963 32.5474 177.2594 57 D 4.8156 7.6026 118.9004 53.9495 41.6004 175.6371 58 R 4.4228 7.1019 118.1009 53.7060 32.7870 175.0131 59 P 4.1600 0.0000 0.0000 65.7260 31.5787 178.3235 60 F 4.4172 7.7631 113.0648 59.5046 37.6928 176.9845 61 F 4.0229 7.7822 121.8367 60.9455 39.2377 175.4070 62 P 4.1781 0.0000 0.0000 65.5910 31.1325 178.8652 63 G 3.6050 8.0395 103.7606 47.7465 0.0000 175.0118 64 L 3.7611 8.1791 123.6083 57.9510 41.6733 179.4551 65 V 3.5084 7.5752 117.8269 65.8749 31.2756 177.8688 66 K 3.9851 7.7783 118.0852 60.0306 32.1939 177.4364 67 Y 3.9990 8.8520 120.2632 60.9431 38.5377 177.6285 68 M 4.3751 8.6130 120.6035 57.2844 32.3322 177.1237 69 N 4.9333 7.8357 115.4345 53.6808 39.6126 176.3229 70 S 4.2049 8.2922 114.7196 61.4170 63.2217 174.0205 71 G 4.1487 7.2225 108.3196 43.3340 0.0000 170.6291 72 P 4.4597 0.0000 0.0000 62.7985 32.7479 175.5770 73 V 4.5606 8.7073 113.8300 59.6291 36.4998 174.7529 74 V 4.7395 8.4448 120.8162 61.4201 33.5497 173.9090 75 A 4.7430 8.9293 130.9593 51.2299 20.5631 175.8065 76 M 5.2678 8.7985 120.7812 53.9139 37.6022 174.0743 77 V 4.7859 8.2178 119.6792 60.9494 34.9133 174.1668 78 W 5.0272 8.9636 127.1549 54.8567 32.3116 174.1621 79 E 4.9290 9.8747 126.0877 53.9588 31.6022 175.0610 80 G 4.8914 7.6668 113.8067 45.6419 0.0000 171.5077 81 L 4.2049 8.6202 122.8777 56.0440 42.2389 175.9439 82 N 4.5322 8.9101 123.7198 54.5344 37.6134 175.8416 83 V 3.0427 7.6004 117.8550 65.6066 31.4101 177.4813 84 V 3.5202 7.7821 117.0507 65.9943 31.4944 177.8047 85 K 3.9428 7.9705 118.7704 59.8755 32.1950 178.7531 86 T 4.0683 8.1932 110.2217 64.6261 68.7076 176.4938 87 G 3.7393 8.5165 108.9746 47.8785 0.0000 175.8564 88 R 3.9885 7.9222 120.1155 58.8698 29.8333 179.2822 89 V 3.5780 7.4120 116.7515 66.3635 31.8000 177.7658 90 M 4.1218 8.4497 118.7754 58.1895 31.6782 178.7646 91 L 4.0941 7.8905 119.6035 55.4071 41.7843 177.7863 92 G 4.1325 8.0677 103.7267 44.1581 0.0000 172.5454 93 E 4.1714 8.3619 117.1054 56.5274 29.8937 178.8742 94 T 3.8154 8.4198 117.5574 65.9249 68.8752 174.1504 95 N 4.6489 7.5099 117.5456 51.2393 38.5318 173.2359 96 P 4.1365 0.0000 0.0000 64.7072 31.6836 178.7805 97 A 4.0323 8.3179 120.2725 54.5310 18.2760 177.7578 98 D 4.7640 8.3996 113.5318 54.3123 41.8069 176.8627 99 S 4.3058 7.6922 117.3040 58.4058 63.9579 174.0004 100 K 4.2486 8.6326 124.1798 55.1327 33.4826 174.6844 101 P 4.2779 0.0000 0.0000 64.4506 31.2506 176.2386 102 G 3.9865 9.3902 112.3543 45.7306 0.0000 174.7159 103 T 4.4793 7.5380 110.1236 60.2551 71.7857 175.3645 104 I 3.8911 8.1983 123.3119 65.3092 37.2799 178.9670 105 R 4.1123 8.3530 118.4382 59.3323 29.7413 179.5172 106 G 3.6015 7.9502 104.4576 47.3456 0.0000 174.6584 107 D 4.3414 7.9004 119.6990 54.7344 41.4429 177.1900 108 F 5.0295 7.8957 115.4251 57.1645 40.7350 174.4788 109 C 5.0161 8.1572 114.0831 56.7147 32.8835 173.1631 110 I 4.2667 8.4656 117.7968 62.6668 38.7717 176.0644 111 Q 4.5523 7.6259 120.5077 54.1717 30.4857 176.4114 112 V 3.5795 8.3772 123.2598 65.7885 32.0318 177.5740 113 G 3.7907 8.2938 108.0002 48.1760 0.0000 174.1311 114 R 4.6531 7.4306 119.9656 54.1023 29.3697 175.3488 115 N 4.8492 7.9998 118.2119 52.6992 38.6706 176.7471 116 I 2.8944 8.3414 110.3534 63.7529 38.6233 172.7635 117 I 5.0277 8.1890 119.5271 60.2348 41.6265 173.1447 118 H 4.9888 9.4820 125.1103 54.3746 33.2301 172.2475 119 G 4.3603 8.3333 111.0241 43.9868 0.0000 172.4084 120 S 4.6221 8.3835 119.5965 58.6996 63.5267 175.3684 121 D 4.5666 8.9800 122.7530 55.1607 40.1993 176.4510 122 S 4.5960 7.4626 113.4682 56.4683 66.6091 176.0481 123 V 3.7223 8.2263 115.7843 64.3943 31.0970 178.7792 124 K 3.9584 7.9726 118.8617 59.7604 32.1547 178.9988 125 S 4.1604 8.0310 114.8288 61.2847 62.7119 176.1639 126 A 4.3400 8.3798 125.2851 54.8805 18.1405 179.4135 127 E 4.0209 8.3847 116.3676 59.4510 29.4640 179.8494 128 K 3.9087 7.8697 118.2271 59.6590 32.1391 179.0966 129 E 3.9291 8.5788 119.0134 59.5556 29.3978 179.5481 130 I 4.0044 8.3601 120.0433 64.7072 36.9724 178.7393 131 S 4.2251 7.9341 114.8345 61.5413 62.7574 176.2236 132 L 3.9971 8.1285 122.3351 57.3611 41.8580 178.2118 133 W 4.2781 8.4058 117.7544 56.2442 29.9987 176.3679 134 F 5.2177 8.1280 116.0572 55.4151 41.9031 174.6101 135 K 4.5861 9.2534 123.0903 54.2471 33.3820 176.3490 136 P 4.4267 0.0000 0.0000 65.9215 30.9828 177.2482 137 E 4.1602 8.1299 116.6380 56.8775 29.7920 176.3417 138 E 4.2590 8.5053 117.0156 58.1757 30.1669 176.2012 139 L 4.2031 7.2225 118.5140 53.6811 41.5356 176.8336 140 V 3.8992 8.5928 125.4959 62.6194 32.4173 175.0089 141 D 5.0345 8.7728 127.5099 52.9017 42.6219 174.8807 142 Y 4.8016 7.9269 120.7211 55.5419 41.1442 173.5719 143 K 4.3938 8.5287 119.9941 54.0808 34.6826 175.8197 144 S 4.4414 8.6715 121.5682 58.3468 63.3972 175.0816 145 C 4.1221 9.0210 119.2047 60.5545 29.7003 174.1395 146 A 4.9075 7.9958 122.0812 52.3196 19.2678 177.5337 147 H 4.2432 8.5673 120.7949 60.7528 29.6056 176.8548 148 D 4.4588 8.0585 117.4838 55.6206 40.9104 177.3801 149 W 4.6775 7.8781 118.3090 57.3504 29.6969 177.5266 150 V 3.8623 7.4820 116.9545 63.6816 31.7154 174.7890 151 Y 4.3530 7.7059 119.9524 58.0282 38.4093 175.1054 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 M 8.30 4.31 0.00 1.77 1.91 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 2 A 8.28 4.23 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 3 N 8.15 4.37 0.00 2.61 2.64 0.00 0.00 7.00 7.78 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 4 L 8.15 4.72 0.00 1.61 0.91 0.71 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.16 4.95 0.00 2.27 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 2.17 2.04 0.00 6 R 7.69 4.75 0.00 1.76 1.74 0.00 3.13 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.41 0.00 7 T 8.55 4.79 4.23 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 1.19 0.00 0.00 8 F 8.77 5.29 0.00 3.26 3.15 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 0.00 0.00 0.00 0.00 9 I 8.18 4.42 1.67 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.27 0.53 0.00 0.00 10 A 8.63 4.66 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.68 4.47 1.89 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 1.21 0.89 0.94 0.00 0.00 12 K 8.52 4.33 0.00 1.98 1.82 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.51 1.46 7.81 13 P 0.00 4.53 0.00 2.25 2.18 0.00 4.02 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 2.26 2.25 0.00 14 D 8.30 4.57 0.00 2.94 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.22 3.57 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 0.00 16 V 7.75 3.65 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 1.29 0.00 0.00 1.17 0.00 0.00 17 Q 8.32 4.11 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.86 0.00 0.00 0.00 0.00 0.00 2.51 2.58 0.00 18 R 8.04 4.38 0.00 1.88 1.96 0.00 3.34 0.00 0.00 3.27 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 19 G 7.95 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 L 7.87 4.48 0.00 1.64 1.26 0.85 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.90 3.62 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 1.06 0.00 0.00 0.95 0.00 0.00 22 G 8.01 3.65 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 0.00 0.00 0.00 23 E 8.01 3.96 0.00 1.71 1.75 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 2.31 2.18 0.00 24 I 7.63 3.80 1.90 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 1.57 0.80 1.04 0.00 0.00 25 I 7.99 3.88 1.99 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.90 1.22 0.00 0.00 26 K 8.35 4.02 0.00 1.97 2.07 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.53 7.81 27 R 7.86 4.11 0.00 1.99 1.79 0.00 3.27 0.00 0.00 3.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.94 0.00 28 F 7.88 3.80 0.00 2.11 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 29 E 8.28 4.24 0.00 2.31 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 0.00 2.74 2.84 0.00 30 Q 8.35 4.06 0.00 2.20 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.82 0.00 0.00 0.00 0.00 0.00 2.47 2.26 0.00 31 K 7.22 3.88 0.00 1.59 1.61 0.00 1.33 0.00 0.00 1.44 0.00 0.00 2.97 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.67 0.30 7.81 32 G 7.65 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 33 F 7.52 5.37 0.00 3.29 3.34 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 34 R 9.11 4.88 0.00 1.78 2.14 0.00 2.64 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 35 L 8.37 2.92 0.00 1.16 1.40 0.76 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.44 3.88 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.81 0.00 0.00 37 A 7.10 4.75 0.67 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 0.00 0.00 38 M 8.23 5.27 0.00 1.96 1.79 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.58 0.00 39 K 9.71 4.90 0.00 1.93 2.06 0.00 1.25 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.51 1.50 7.81 40 F 8.72 5.55 0.00 2.97 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 41 L 8.23 4.22 0.00 1.69 1.70 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.36 4.46 0.00 1.69 1.86 0.00 3.21 0.00 0.00 3.21 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 43 A 8.51 3.98 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 44 S 8.42 4.44 0.00 4.02 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 45 E 8.78 3.97 0.00 2.02 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 2.40 2.38 0.00 46 E 8.07 3.90 0.00 2.02 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 2.35 2.36 0.00 47 H 8.09 4.00 0.00 3.02 3.18 0.00 5.66 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 48 L 8.30 4.03 0.00 1.92 1.91 1.05 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.31 4.42 0.00 1.99 2.18 0.00 1.79 0.00 0.00 1.88 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.70 1.82 7.81 50 Q 7.93 4.14 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 51 H 7.98 4.04 0.00 3.01 3.25 0.00 5.72 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 52 Y 8.15 5.03 0.00 3.52 3.27 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 53 I 7.53 3.62 1.87 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 1.29 0.83 0.87 0.00 0.00 54 D 8.14 4.59 0.00 2.71 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 55 L 8.23 4.77 0.00 2.05 1.73 1.34 0.87 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 56 K 7.66 2.48 0.00 1.11 1.11 0.00 1.39 0.00 0.00 1.52 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.15 7.81 57 D 7.60 4.82 0.00 2.52 2.59 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 58 R 7.10 4.42 0.00 1.48 0.75 0.00 3.06 0.00 0.00 3.05 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.41 0.00 59 P 0.00 4.16 0.00 2.02 2.11 0.00 3.36 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 60 F 7.76 4.42 0.00 3.22 3.35 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 61 F 7.78 4.02 0.00 3.29 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 62 P 0.00 4.18 0.00 2.22 2.12 0.00 3.88 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.32 0.00 63 G 8.04 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.18 3.76 0.00 1.66 1.75 0.41 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 65 V 7.58 3.51 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 0.91 0.00 0.00 0.19 0.00 0.00 66 K 7.78 3.99 0.00 1.77 2.09 0.00 1.72 0.00 0.00 1.62 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.47 7.81 67 Y 8.85 4.00 0.00 3.29 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 68 M 8.61 4.38 0.00 2.26 2.32 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 3.00 2.89 0.00 69 N 7.84 4.93 0.00 2.89 3.00 0.00 0.00 6.81 7.51 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 70 S 8.29 4.20 0.00 3.93 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 71 G 7.22 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.46 0.00 0.87 1.70 0.00 3.64 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 2.10 2.04 0.00 73 V 8.71 4.56 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 0.78 0.00 0.00 1.07 0.00 0.00 74 V 8.44 4.74 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 1.06 0.00 0.00 1.26 0.00 0.00 75 A 8.93 4.74 1.29 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 0.00 0.00 0.00 76 M 8.80 5.27 0.00 1.65 1.87 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 77 V 8.22 4.79 1.68 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 1.03 0.00 0.00 0.43 0.00 0.00 78 W 8.96 5.03 0.00 3.13 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 79 E 9.87 4.93 0.00 1.99 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 2.26 2.43 0.00 80 G 7.67 4.89 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 0.00 0.00 0.00 81 L 8.62 4.20 0.00 1.71 2.01 1.03 1.12 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 82 N 8.91 4.53 0.00 3.03 2.95 0.00 0.00 7.28 7.71 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 83 V 7.60 3.04 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.93 0.00 0.00 84 V 7.78 3.52 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 0.96 0.00 0.00 0.99 0.00 0.00 85 K 7.97 3.94 0.00 1.90 2.07 0.00 1.80 0.00 0.00 1.89 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.52 7.81 86 T 8.19 4.07 4.39 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 1.32 0.00 0.00 87 G 8.52 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 R 7.92 3.99 0.00 2.06 2.01 0.00 3.30 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.00 0.00 89 V 7.41 3.58 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 0.82 0.00 0.00 1.01 0.00 0.00 90 M 8.45 4.12 0.00 1.71 2.02 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.39 0.00 91 L 7.89 4.09 0.00 1.89 1.74 1.23 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 92 G 8.07 4.13 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 0.00 93 E 8.36 4.17 0.00 2.15 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 2.46 2.34 0.00 94 T 8.42 3.82 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 95 N 7.51 4.65 0.00 2.77 2.72 0.00 0.00 7.02 7.59 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 96 P 0.00 4.14 0.00 2.39 2.29 0.00 3.98 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.09 0.00 97 A 8.32 4.03 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 98 D 8.40 4.76 0.00 2.62 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 99 S 7.69 4.31 0.00 3.88 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 0.00 100 K 8.63 4.25 0.00 1.65 1.68 0.00 1.68 0.00 0.00 1.80 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.39 7.81 101 P 0.00 4.28 0.00 1.88 1.93 0.00 3.61 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 1.99 2.06 0.00 102 G 9.39 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 0.00 103 T 7.54 4.48 4.36 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 1.25 0.00 0.00 104 I 8.20 3.89 1.97 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.82 1.11 0.00 0.00 105 R 8.35 4.11 0.00 1.98 2.00 0.00 3.42 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 1.82 1.81 0.00 106 G 7.95 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 D 7.90 4.34 0.00 1.58 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 0.00 0.00 0.00 108 F 7.90 5.03 0.00 3.06 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 0.00 109 C 8.16 5.02 0.00 3.21 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 0.00 110 I 8.47 4.27 1.89 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 1.31 0.70 0.92 0.00 0.00 111 Q 7.63 4.55 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.34 0.00 112 V 8.38 3.58 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 0.79 0.00 0.00 0.95 0.00 0.00 113 G 8.29 3.79 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 0.00 0.00 0.00 114 R 7.43 4.65 0.00 1.85 2.16 0.00 3.39 0.00 0.00 3.49 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.76 0.00 115 N 8.00 4.85 0.00 2.87 3.00 0.00 0.00 6.10 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 0.00 116 I 8.34 2.89 1.91 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.57 1.08 0.00 0.00 117 I 8.19 5.03 1.91 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 1.09 0.81 1.01 0.00 0.00 118 H 9.48 4.99 0.00 3.26 3.04 0.00 5.77 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 0.00 119 G 8.33 4.36 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 0.00 120 S 8.38 4.62 0.00 3.81 3.88 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 0.00 121 D 8.98 4.57 0.00 2.83 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 0.00 122 S 7.46 4.60 0.00 4.04 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 0.00 123 V 8.23 3.72 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 0.87 0.00 0.00 0.95 0.00 0.00 124 K 7.97 3.96 0.00 1.83 1.82 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.54 7.81 125 S 8.03 4.16 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 0.00 126 A 8.38 4.34 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 0.00 127 E 8.38 4.02 0.00 2.02 2.04 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 2.53 2.52 0.00 128 K 7.87 3.91 0.00 1.97 1.84 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.65 7.81 129 E 8.58 3.93 0.00 2.11 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 2.26 2.50 0.00 130 I 8.36 4.00 2.09 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 1.73 0.89 1.02 0.00 0.00 131 S 7.93 4.23 0.00 4.02 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 0.00 132 L 8.13 4.00 0.00 1.67 1.80 0.25 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 133 W 8.41 4.28 0.00 2.92 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 0.00 134 F 8.13 5.22 0.00 3.20 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 0.00 135 K 9.25 4.59 0.00 1.87 1.75 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.40 7.81 136 P 0.00 4.43 0.00 2.23 2.36 0.00 3.72 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 2.10 2.00 0.00 137 E 8.13 4.16 0.00 1.97 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 2.30 2.34 0.00 138 E 8.51 4.26 0.00 2.28 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 0.00 2.40 2.43 0.00 139 L 7.22 4.20 0.00 1.62 1.57 0.87 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 140 V 8.59 3.90 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 0.79 0.00 0.00 0.92 0.00 0.00 141 D 8.77 5.03 0.00 2.58 2.55 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 0.00 142 Y 7.93 4.80 0.00 3.03 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 0.00 143 K 8.53 4.39 0.00 1.64 1.71 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.32 1.30 7.81 144 S 8.67 4.44 0.00 4.19 4.16 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 0.00 145 C 9.02 4.12 0.00 3.19 3.21 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 0.00 146 A 8.00 4.91 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 0.00 147 H 8.57 4.24 0.00 3.42 3.42 0.00 5.59 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 0.00 148 D 8.06 4.46 0.00 2.34 2.37 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 0.00 149 W 7.88 4.68 0.00 3.45 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 V 7.48 3.86 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 0.10 0.00 0.00 0.92 0.00 0.00 151 Y 7.71 4.35 0.00 2.83 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 * Residues marked with a * may have inaccurate shift predictions.