NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 R 4.3497 8.1127 119.0749 55.5602 31.4107 175.9578 9 L 3.8608 8.3313 120.6447 58.1976 42.1021 177.4358 10 D 4.8880 8.9888 117.9940 56.3603 41.7999 175.8584 11 D 4.7929 7.8062 117.2281 54.2658 41.8723 177.1066 12 Q 4.2530 8.1228 120.7765 55.2440 30.2245 176.5735 13 I 3.8011 8.5575 124.7432 64.0502 38.0464 178.1242 14 G 3.6783 8.1359 106.0517 47.9445 0.0000 175.0732 15 F 4.4616 8.3100 123.2540 61.0506 39.4018 177.0625 16 I 3.5199 7.8984 119.2880 64.2162 36.7977 178.4650 17 L 3.9440 8.3625 120.2085 57.7752 41.4921 179.4684 18 R 3.8828 8.1300 118.6875 59.5417 29.9141 178.5640 19 Q 3.8603 7.8242 117.2185 58.8695 28.6831 178.5351 20 A 3.9736 7.9983 121.7286 55.2578 18.3058 179.4188 21 N 4.3290 8.4775 115.2056 56.6943 38.7000 177.6290 22 Q 4.0159 8.5473 119.8067 58.9890 28.7406 178.9865 23 R 3.8942 8.3496 120.0327 59.3538 30.0314 177.9527 24 Y 3.8473 8.2933 119.1515 60.6304 38.8158 177.4921 25 A 4.0146 8.4373 121.9213 55.5992 18.4925 179.5827 26 A 3.9358 7.9762 118.7317 55.1885 18.4979 179.8816 27 L 3.8551 8.0009 117.6604 57.6466 41.6274 179.5179 28 F 3.6418 8.2212 120.7564 61.1913 39.1189 177.0946 29 A 4.0475 8.0200 119.1175 55.2971 18.2221 179.0853 30 N 4.4750 8.0511 114.1934 55.4459 38.7198 176.9550 31 G 3.7797 7.4986 104.6328 44.9565 0.0000 175.3477 32 I 3.2409 7.0511 120.7868 62.7959 38.0551 177.1090 33 G 3.8895 8.1664 105.8673 45.1645 0.0000 173.0812 34 N 4.7756 7.7044 114.4019 51.9481 38.0440 175.5605 35 G 3.9874 8.2564 106.8028 45.6829 0.0000 174.0321 36 L 4.5705 7.8876 120.2290 54.4797 42.5082 177.7042 37 T 4.3295 8.7504 113.4075 60.7706 70.9689 173.9412 38 P 3.2960 0.0000 0.0000 66.0142 31.2661 179.0260 39 T 3.9736 7.7487 107.8119 64.6598 69.0288 176.6011 40 Q 4.0364 7.9083 121.0293 58.5797 28.7853 178.7565 41 W 4.3164 8.6190 129.1447 60.3841 30.7302 177.6603 42 A 3.8814 8.5375 120.9665 55.2368 17.8039 179.3635 43 A 3.8593 7.9813 119.0620 55.2209 18.4223 179.6601 44 L 3.7433 7.6205 118.2187 58.1308 42.1399 179.1669 45 V 3.1660 7.4980 118.5530 65.9516 31.2881 177.9798 46 R 3.8109 7.9844 118.3698 59.4107 29.9436 178.3683 47 L 4.0208 8.0668 118.9946 57.7980 41.3579 179.7256 48 G 3.6152 7.7748 104.7434 47.7100 0.0000 175.1357 49 E 4.1954 7.7415 119.6989 58.4240 29.8423 178.2202 50 T 4.3360 8.0681 107.5150 62.1692 70.0767 176.2736 51 G 3.8583 8.1676 110.9432 43.9791 0.0000 170.8379 52 P 4.5327 0.0000 0.0000 64.0704 31.6181 175.4875 53 C 4.7390 9.0592 122.2373 57.2002 35.6220 171.2393 54 P 4.7269 0.0000 0.0000 62.2958 31.7314 176.8892 55 Q 3.9206 9.0742 124.7674 59.7345 28.8283 178.8490 56 N 4.3332 8.0736 116.7592 56.1115 38.5791 176.9384 57 Q 3.9227 8.0414 120.5890 59.2170 28.9478 178.0627 58 L 4.0046 8.0627 120.4101 57.9526 42.3855 178.7984 59 G 3.7955 8.2480 105.7284 48.0516 0.0000 175.8132 60 R 3.9566 8.2293 121.3080 58.8205 29.9001 178.8836 61 L 4.2632 8.1150 117.1564 56.2718 41.6362 177.7238 62 T 4.3289 7.2644 107.7494 60.1023 69.0407 173.3045 63 A 3.3740 7.5375 124.5984 53.0175 15.7884 177.3336 *65 D 4.4090 7.9039 119.5681 53.0851 42.0451 175.9735 66 A 3.9477 8.4610 120.3627 55.5940 18.2264 179.6938 67 A 3.9313 7.9684 118.2072 55.6845 18.7079 179.8671 68 T 3.8384 8.7585 114.6658 66.7943 68.4387 176.9123 69 I 3.7252 8.0216 120.7630 63.6220 37.9029 177.6439 70 K 4.0491 7.9744 120.4611 59.4955 31.9976 178.7721 71 G 3.6481 7.8869 105.2078 48.1985 0.0000 176.1286 72 V 3.7221 7.6990 115.1921 63.6874 31.5395 178.9296 73 V 3.5954 8.1552 118.5272 66.0842 31.3341 177.9939 74 E 4.1037 8.4614 118.4823 59.3653 29.1191 179.6043 75 R 3.9436 8.0702 118.2193 59.2043 30.0911 179.0512 76 L 4.0243 8.3054 119.2208 57.6773 41.5517 179.0434 77 D 4.2733 8.5980 118.3402 57.4139 41.0328 178.0295 78 K 3.8880 7.9402 118.6251 59.4537 32.1246 177.7571 79 R 4.4097 7.6235 115.2773 55.6443 30.3837 177.1632 80 G 3.9204 8.2135 107.5063 45.8567 0.0000 174.2823 81 L 4.6640 8.1836 120.0864 54.6362 43.1100 176.2624 82 I 5.2241 7.7342 111.2871 58.8668 40.8958 174.6877 83 Q 4.7278 9.4959 121.5791 54.5837 31.8390 174.2182 84 R 5.2582 8.5419 119.8840 54.9049 32.7197 175.5220 85 S 4.7496 8.7683 115.4867 56.5448 66.8913 173.3016 86 A 4.4424 8.5745 123.7425 52.1261 18.9339 176.7923 87 D 4.4684 9.0023 123.3000 53.6497 41.6169 175.6548 88 P 4.2228 0.0000 0.0000 65.0703 31.6415 176.7823 89 D 4.5627 8.4327 117.8827 54.9890 41.7814 176.0448 90 D 4.4877 7.9004 118.0907 52.1868 42.0970 175.5594 91 G 3.7979 8.6659 116.1191 48.1333 0.0000 173.1122 92 R 4.0831 8.1897 118.0924 57.6445 30.5166 176.3325 93 R 4.7597 7.9256 114.4730 54.3020 32.5393 174.8859 94 L 5.0651 8.2801 118.8604 53.2427 44.8202 175.3049 95 L 4.7334 8.9020 122.3963 53.3709 43.8811 175.7053 96 V 4.6700 8.7963 124.1278 61.9146 33.2514 174.6520 97 S 4.9295 8.9476 121.1400 56.2233 66.4105 172.8955 98 L 4.5698 8.4418 124.6216 54.8541 42.1825 177.3964 99 S 4.3373 8.7836 119.3275 57.7140 64.0042 173.5434 100 P 4.2413 0.0000 0.0000 66.1448 30.9942 178.9082 101 A 4.1596 8.0457 118.9790 54.8991 18.2878 179.8429 102 G 3.5262 7.8997 104.0347 47.9200 0.0000 175.8551 103 R 3.8731 8.5197 121.5151 58.9725 30.0015 178.5575 104 A 4.0235 8.1602 120.6547 55.2426 18.4695 179.4844 105 E 4.0388 8.4001 117.2160 59.2764 29.1071 179.2820 106 L 3.9920 8.1887 120.4680 58.3415 41.9800 178.9073 107 E 4.0684 8.0892 116.6905 59.5200 29.5633 179.1790 108 A 4.2708 8.5493 119.6696 54.0724 18.7401 178.7684 109 G 3.8579 8.0704 102.6859 44.8845 0.0000 175.7369 110 L 4.3460 7.8270 120.5688 57.8895 41.7001 179.1344 111 A 3.9648 8.0397 119.9093 55.1034 18.3515 179.2709 112 A 3.7865 7.9030 118.5282 55.1747 18.4735 179.5031 113 A 3.7052 7.7420 119.1160 55.2968 18.5037 179.8150 114 R 3.9448 8.2078 116.7669 59.6724 30.1123 178.8799 115 E 3.9432 8.1881 118.7729 59.2304 29.5085 178.8305 116 I 3.5974 7.8698 119.9756 64.5926 37.0560 178.2241 117 N 4.5611 8.3830 117.1569 56.3038 38.0810 177.8316 118 R 3.9845 7.8684 118.9819 59.2254 30.5648 178.6339 119 Q 4.1176 8.4369 117.9918 58.8801 28.4920 178.5737 120 A 4.0743 8.0665 120.8053 55.1115 18.7233 178.9086 121 L 4.3669 7.6946 114.7678 55.1269 41.8210 178.6412 122 A 4.0126 7.6493 121.5942 54.5756 18.3926 177.0754 123 P 4.3623 0.0000 0.0000 64.0883 31.7372 176.1203 124 L 4.7571 7.6784 119.0262 52.5435 43.8443 177.1601 125 S 4.4130 8.7994 117.5383 57.8603 64.8007 175.2735 126 L 3.9403 8.5713 122.8617 58.3502 41.2285 179.8954 127 Q 4.0581 7.9686 116.5998 59.0936 28.9372 177.8506 128 E 3.9703 7.9063 120.0711 59.3448 29.3929 179.3927 129 Q 4.0157 8.4662 118.3997 58.9146 28.8020 178.7085 130 E 3.9635 7.8673 119.2880 59.5344 29.5278 179.3683 131 T 3.8348 8.2181 116.1497 66.5583 68.5736 176.3458 132 L 3.9102 8.1781 122.3160 58.1279 42.2765 178.6619 133 R 3.9557 8.1860 118.9049 59.6601 29.7530 178.6305 134 G 3.6302 7.6758 103.2581 47.7516 0.0000 175.3761 135 L 4.1617 8.0279 121.3780 57.6254 41.6053 179.6297 136 L 3.9938 8.4591 119.1097 57.5956 41.2916 179.3385 137 A 4.0031 7.7488 119.3010 54.3897 18.3541 178.8057 138 R 4.3698 7.5207 114.6086 56.4337 30.4895 176.8015 139 L 4.7370 7.8097 118.6543 54.1387 42.5271 176.5340 140 I 4.0448 7.7755 118.1557 60.9803 37.7051 175.2465 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 8 R 8.11 4.35 0.00 1.75 1.88 0.00 3.23 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.00 9 L 8.33 3.86 0.00 1.65 1.54 0.72 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.99 4.89 0.00 2.80 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 11 D 7.81 4.79 0.00 2.85 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 12 Q 8.12 4.25 0.00 2.24 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.79 0.00 0.00 0.00 0.00 0.00 2.66 2.52 0.00 13 I 8.56 3.80 1.89 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 1.58 1.25 0.93 0.00 0.00 14 G 8.14 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 F 8.31 4.46 0.00 3.05 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.90 3.52 2.00 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 1.47 0.65 0.87 0.00 0.00 17 L 8.36 3.94 0.00 1.87 1.71 0.92 0.78 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 18 R 8.13 3.88 0.00 1.92 1.97 0.00 3.16 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 19 Q 7.82 3.86 0.00 2.12 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.11 1.85 0.00 20 A 8.00 3.97 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 21 N 8.48 4.33 0.00 2.99 2.90 0.00 0.00 7.05 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 22 Q 8.55 4.02 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 23 R 8.35 3.89 0.00 1.86 2.16 0.00 3.09 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 24 Y 8.29 3.85 0.00 3.19 3.10 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 25 A 8.44 4.01 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 26 A 7.98 3.94 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 27 L 8.00 3.86 0.00 1.60 1.56 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.22 3.64 0.00 2.60 2.98 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 29 A 8.02 4.05 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 30 N 8.05 4.47 0.00 2.76 2.81 0.00 0.00 6.89 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 31 G 7.50 3.78 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 0.00 0.00 0.00 32 I 7.05 3.24 0.56 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.27 0.71 0.00 0.00 33 G 8.17 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 0.00 0.00 0.00 34 N 7.70 4.78 0.00 2.96 2.85 0.00 0.00 6.15 7.00 0.00 0.00 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 G 8.26 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 36 L 7.89 4.57 0.00 2.05 1.88 1.29 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.75 4.33 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 38 P 0.00 3.30 0.00 2.00 1.83 0.00 3.49 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 1.56 0.00 39 T 7.75 3.97 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 40 Q 7.91 4.04 0.00 2.45 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.84 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 41 W 8.62 4.32 0.00 3.70 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 42 A 8.54 3.88 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 43 A 7.98 3.86 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 44 L 7.62 3.74 0.00 1.87 1.43 0.90 0.85 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 45 V 7.50 3.17 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 0.81 0.00 0.00 0.02 0.00 0.00 46 R 7.98 3.81 0.00 1.97 1.97 0.00 3.17 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 47 L 8.07 4.02 0.00 1.80 1.66 0.89 0.73 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 48 G 7.77 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 49 E 7.74 4.20 0.00 2.05 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 2.29 2.46 0.00 50 T 8.07 4.34 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 51 G 8.17 3.86 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 0.00 0.00 0.00 52 P 0.00 4.53 0.00 2.07 2.09 0.00 3.76 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 53 C 9.06 4.74 0.00 3.14 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 54 P 0.00 4.73 0.00 2.10 1.96 0.00 3.93 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.92 0.00 55 Q 9.07 3.92 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 56 N 8.07 4.33 0.00 2.77 2.84 0.00 0.00 6.73 8.24 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 57 Q 8.04 3.92 0.00 2.15 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 58 L 8.06 4.00 0.00 1.62 1.87 0.88 1.21 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 59 G 8.25 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 60 R 8.23 3.96 0.00 1.98 1.98 0.00 3.12 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 61 L 8.12 4.26 0.00 1.73 1.70 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.26 4.33 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 1.22 0.00 0.00 63 A 7.54 3.37 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 *65 D 7.90 4.41 0.00 2.94 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 66 A 8.46 3.95 1.34 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 0.00 0.00 67 A 7.97 3.93 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 68 T 8.76 3.84 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 69 I 8.02 3.73 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 1.61 1.49 1.01 0.00 0.00 70 K 7.97 4.05 0.00 1.97 2.04 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.47 7.81 71 G 7.89 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 72 V 7.70 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 0.83 0.00 0.00 0.94 0.00 0.00 73 V 8.16 3.60 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.97 0.00 0.00 74 E 8.46 4.10 0.00 2.31 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 2.33 2.35 0.00 75 R 8.07 3.94 0.00 2.07 2.00 0.00 3.19 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 76 L 8.31 4.02 0.00 2.02 1.73 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.60 4.27 0.00 2.85 2.84 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 78 K 7.94 3.89 0.00 1.90 2.15 0.00 1.88 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.66 7.81 79 R 7.62 4.41 0.00 1.96 1.98 0.00 3.30 0.00 0.00 3.28 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 80 G 8.21 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.18 4.66 0.00 1.73 1.73 1.05 0.69 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 82 I 7.73 5.22 1.94 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 1.51 0.59 0.90 0.00 0.00 83 Q 9.50 4.73 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 84 R 8.54 5.26 0.00 1.69 1.86 0.00 3.21 0.00 0.00 3.27 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 85 S 8.77 4.75 0.00 3.86 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 86 A 8.57 4.44 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 D 9.00 4.47 0.00 2.80 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 88 P 0.00 4.22 0.00 2.21 2.17 0.00 3.80 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 1.98 1.98 0.00 89 D 8.43 4.56 0.00 2.67 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 90 D 7.90 4.49 0.00 2.72 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 91 G 8.67 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 92 R 8.19 4.08 0.00 1.83 2.00 0.00 3.19 0.00 0.00 3.36 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 93 R 7.93 4.76 0.00 1.87 2.01 0.00 2.74 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.56 0.00 94 L 8.28 5.07 0.00 1.57 1.59 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 95 L 8.90 4.73 0.00 1.75 1.56 0.91 0.81 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 96 V 8.80 4.67 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 0.97 0.00 0.00 0.92 0.00 0.00 97 S 8.95 4.93 0.00 3.86 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 98 L 8.44 4.57 0.00 1.53 1.57 0.92 0.83 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 99 S 8.78 4.34 0.00 3.91 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 0.00 100 P 0.00 4.24 0.00 2.16 2.12 0.00 3.60 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 2.17 0.00 101 A 8.05 4.16 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 0.00 102 G 7.90 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 0.00 103 R 8.52 3.87 0.00 1.88 2.10 0.00 3.14 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 104 A 8.16 4.02 1.41 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 0.00 0.00 0.00 105 E 8.40 4.04 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 106 L 8.19 3.99 0.00 1.74 1.89 0.42 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.09 4.07 0.00 2.17 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 2.59 2.49 0.00 108 A 8.55 4.27 1.41 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 0.00 0.00 0.00 109 G 8.07 3.86 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 0.00 0.00 0.00 110 L 7.83 4.35 0.00 1.86 1.86 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.04 3.96 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 A 7.90 3.79 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 0.00 113 A 7.74 3.71 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 0.00 114 R 8.21 3.94 0.00 2.06 2.04 0.00 3.17 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 115 E 8.19 3.94 0.00 2.06 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 0.00 2.25 2.34 0.00 116 I 7.87 3.60 1.93 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.37 0.72 0.00 0.00 117 N 8.38 4.56 0.00 3.04 2.98 0.00 0.00 7.09 6.95 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 0.00 118 R 7.87 3.98 0.00 1.98 2.00 0.00 3.18 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 119 Q 8.44 4.12 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 120 A 8.07 4.07 1.56 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 0.00 0.00 121 L 7.69 4.37 0.00 1.77 1.72 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 122 A 7.65 4.01 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 0.00 123 P 0.00 4.36 0.00 2.06 2.12 0.00 3.75 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 2.10 0.00 124 L 7.68 4.76 0.00 1.81 1.56 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 125 S 8.80 4.41 0.00 4.06 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 0.00 126 L 8.57 3.94 0.00 1.71 1.80 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 7.97 4.06 0.00 2.25 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.88 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 128 E 7.91 3.97 0.00 2.29 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 2.33 2.36 0.00 129 Q 8.47 4.02 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 130 E 7.87 3.96 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 2.33 2.54 0.00 131 T 8.22 3.83 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 132 L 8.18 3.91 0.00 1.73 1.74 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 133 R 8.19 3.96 0.00 2.17 1.92 0.00 3.15 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 134 G 7.68 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.03 4.16 0.00 2.02 1.72 0.99 0.39 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 0.00 136 L 8.46 3.99 0.00 1.74 1.70 0.90 0.78 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 0.00 137 A 7.75 4.00 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 0.00 138 R 7.52 4.37 0.00 1.73 1.97 0.00 3.10 0.00 0.00 3.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 139 L 7.81 4.74 0.00 1.67 1.61 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 140 I 7.78 4.04 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.62 0.97 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.