NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3608 8.1744 110.9446 60.4808 70.4465 172.8704 3 D 3.4794 7.8422 118.8253 55.1092 43.4123 175.0816 4 C 4.0482 9.0319 120.7568 60.4148 27.0023 173.0367 5 E 4.7700 7.4923 118.6265 54.5472 32.5533 176.4079 6 F 4.0884 8.9755 122.1294 61.7044 39.3580 177.6166 7 G 3.8525 8.4141 104.6249 48.1406 0.0000 174.8367 8 Y 3.9749 8.1036 121.5813 60.5042 38.8750 177.9621 9 I 3.6271 7.9423 120.8232 64.3000 37.1051 177.7837 10 Y 3.7691 8.2271 120.9709 60.5915 38.5173 178.1240 11 R 3.7263 8.1072 119.6493 59.1316 30.1246 178.5350 12 L 3.6243 7.5201 118.6509 57.6981 41.4843 179.4104 13 A 4.2795 8.0837 120.8516 55.0314 18.2436 179.5592 14 Q 4.0669 7.8714 119.7530 58.7504 29.1206 177.8328 15 D 4.4265 8.1937 120.3104 57.7188 40.9769 178.3344 16 Y 4.0981 8.0379 119.8386 60.5661 38.6807 178.0149 17 L 3.7888 7.7534 119.8258 57.7794 41.7218 179.4416 18 Q 3.5158 7.8404 117.9726 58.7618 28.3999 178.5211 19 C 3.8845 7.7901 119.7422 62.3046 31.3916 175.7108 20 V 3.3296 7.0234 118.4948 65.9044 31.2007 177.5263 21 L 4.0169 7.7478 116.1608 54.6078 42.1508 176.5538 22 Q 3.3990 7.3829 117.1559 56.9940 26.4512 173.4202 23 I 4.4018 7.4133 110.2455 58.0954 39.8667 173.5677 24 P 4.2892 0.0000 0.0000 62.3680 31.9700 175.6448 25 Q 4.4486 8.2249 122.6535 53.3484 30.8237 175.0789 26 P 4.6738 0.0000 0.0000 63.7453 30.6736 178.0040 27 G 3.7559 8.8107 115.1872 47.2117 0.0000 173.6301 28 S 3.9871 8.1189 112.4396 58.1130 60.1156 169.9677 29 G 4.0134 7.9521 106.1614 44.1195 0.0000 172.0926 30 P 4.3595 0.0000 0.0000 61.7135 32.1610 177.4391 31 S 4.3913 8.2389 116.4206 57.8928 65.0892 175.3152 32 K 3.9302 8.5281 122.4938 59.8612 31.7939 178.6711 33 T 4.0062 7.9834 115.5093 66.8762 68.5146 176.1075 34 S 3.8901 7.7632 114.2945 61.4851 62.1964 176.4279 35 R 3.9019 8.0890 120.6175 59.2918 29.9383 179.2417 36 V 3.6370 7.9854 118.0401 65.8262 31.5390 177.8851 37 L 4.0946 8.3814 120.3772 58.3871 41.9594 178.8221 38 Q 4.3407 8.5939 118.3469 59.0159 28.4557 178.7064 39 N 4.3901 8.0099 118.2427 56.8011 39.2682 177.4780 40 V 3.7443 7.7937 119.9739 64.6048 31.5630 178.1357 41 A 3.9258 8.4830 121.8680 54.8861 18.1705 179.3342 42 F 4.6618 8.2744 120.1020 61.0601 39.2475 177.1360 43 S 4.0828 8.1215 112.7750 61.4884 62.0453 176.4378 44 V 3.5550 7.7372 120.5421 65.7133 31.2921 177.7026 45 Q 3.9781 8.3953 119.7763 59.2557 28.5389 178.5930 46 K 3.7965 7.7054 119.3323 59.4349 32.0815 179.2603 47 E 4.0349 7.7170 118.4663 59.3340 29.5812 179.4999 48 V 3.6538 8.0936 118.5747 65.7954 31.2909 177.8599 49 E 3.9970 8.4849 119.0147 59.3882 29.1462 179.5604 50 K 4.1269 7.4695 116.0814 60.0252 32.8194 178.6857 51 N 4.5619 8.0170 116.0282 54.6013 38.8510 175.5872 52 L 4.6258 7.5044 120.6227 54.5350 42.7886 177.6153 53 K 3.8794 7.6831 119.7302 59.6459 31.8078 178.5174 54 S 4.0495 7.9806 111.2985 61.7031 62.6822 175.0146 55 C 4.1673 8.1515 120.6702 62.8009 31.2938 175.4822 56 L 4.1415 7.9441 119.7993 57.5740 40.9970 178.9833 57 D 4.5231 7.8574 117.6851 56.5584 40.6976 176.7766 58 N 4.8024 7.5114 114.9854 52.8081 38.7495 174.8561 59 V 4.3558 7.6533 117.6775 61.0069 34.3981 174.7199 60 N 4.9120 8.6290 123.9904 51.7055 39.2226 175.2946 61 V 3.9495 8.5002 125.5570 62.1367 30.0415 176.5935 62 V 4.5423 8.0354 115.2417 60.5710 32.7560 175.6523 63 S 4.8217 7.3236 113.8230 56.2535 66.5520 175.6454 64 V 3.7409 8.3062 121.5142 66.2033 31.1398 177.8972 65 D 4.3555 8.0379 118.4467 57.5244 40.7140 178.6044 66 T 3.8642 7.8280 115.9116 66.3409 68.3378 176.5581 67 A 4.0362 8.0981 122.7433 55.1711 18.4292 179.6026 68 R 2.5100 7.8683 116.9789 59.4808 30.0109 178.7345 69 T 3.8067 7.8673 115.4640 66.6023 68.4478 176.3111 70 L 3.9778 8.2256 122.4403 58.0507 42.1053 178.7301 71 F 4.3939 8.6664 120.8873 61.5401 39.3940 176.7669 72 N 4.1922 8.6376 116.4323 56.4103 38.4698 177.3843 73 Q 3.9368 8.2893 119.5983 58.9441 28.8181 179.1830 74 V 3.3582 7.7245 119.1376 66.2690 31.5956 178.0335 75 M 3.7099 7.7636 118.7861 57.9440 31.2461 178.4398 76 E 4.0676 7.9244 118.8461 59.3335 30.0321 178.7502 77 K 4.0837 7.8637 118.3031 59.4141 31.8608 178.9831 78 E 3.7651 8.0929 118.6741 58.2476 29.8056 177.3839 79 F 4.7112 7.8082 115.1509 56.9438 39.4862 177.1090 80 E 4.1391 7.8539 120.9166 58.6891 29.4477 177.5538 81 D 4.4028 8.0178 117.4675 53.6779 39.8983 177.1763 82 G 3.9242 8.0948 108.1714 45.7185 0.0000 173.3486 83 I 4.2836 8.4136 120.7889 59.8649 38.3400 175.4347 84 I 4.4646 7.7160 124.4954 58.8217 40.6714 174.7247 85 N 4.0853 7.6415 120.5182 50.1932 41.2332 175.5783 86 W 4.7949 8.9254 120.5244 59.9144 29.0262 178.7736 87 G 3.9677 8.6627 105.2969 48.2993 0.0000 175.7570 88 R 3.9696 8.5381 119.8140 58.8982 30.1938 178.9903 89 I 4.1424 8.1522 119.7993 64.3107 37.2149 178.5119 90 V 3.8042 8.4536 119.7952 66.3417 31.2965 178.1854 91 T 4.1129 7.8876 109.2634 64.4076 68.5581 176.6523 92 I 3.8282 7.7113 123.2654 64.4057 37.0284 178.3056 93 F 4.0329 8.3310 117.9422 60.2657 38.7971 177.0981 94 A 4.1598 7.9967 120.2987 55.6678 18.1491 179.6155 95 F 4.1973 8.6906 118.8419 61.1968 39.3902 176.8335 96 E 4.0619 8.5777 119.4887 59.2367 29.5539 179.1575 97 G 4.1851 8.4941 107.1783 47.4545 0.0000 175.6537 98 I 3.7126 7.9687 122.5982 64.0277 37.0158 178.5194 99 L 3.7852 7.7626 119.6648 57.8354 41.4091 179.3870 100 I 3.6568 7.6730 118.4957 63.9522 37.6741 178.0535 101 K 3.9382 7.9170 118.9365 59.4351 31.8645 179.4717 102 K 3.9754 7.9278 118.6328 59.4117 31.9863 179.2166 103 L 4.2090 8.2320 122.3097 57.5118 41.7516 178.7776 104 L 3.9790 8.0870 119.9141 57.6701 42.0609 178.2291 105 R 4.2710 7.5276 117.3404 57.1964 30.5701 176.5757 106 Q 4.5288 8.1228 115.3483 55.1683 30.3874 174.9934 107 Q 4.3499 8.0438 120.7642 55.9031 29.5798 175.9430 108 I 3.8061 8.6527 126.9536 63.9368 37.2916 176.7262 109 A 4.5326 7.4936 124.0688 48.7596 18.1110 171.9826 110 P 4.1951 0.0000 0.0000 62.8893 31.6627 175.5342 111 D 4.9033 8.5888 122.3981 52.5778 43.3716 176.2254 112 V 4.1917 8.4610 118.3142 61.9330 32.0218 176.1089 113 D 4.6166 7.7352 119.3950 53.8692 42.1930 177.8220 114 T 3.8774 7.6080 110.9344 65.2755 68.2743 175.3384 115 Y 4.1768 7.9016 118.7674 58.7019 37.7549 177.8947 116 K 3.8967 7.9380 121.3770 58.8653 32.3161 178.4416 117 E 4.0875 8.2493 119.8153 58.5934 29.6489 178.5442 118 I 2.3028 7.4408 119.4626 64.2077 37.2415 178.1530 119 S 4.0118 7.5222 115.7083 61.7357 62.4441 176.4122 120 Y 4.3153 7.6630 122.2280 60.8509 38.7508 177.9812 121 F 4.5400 7.7677 114.4060 58.9927 38.1635 177.7951 122 V 3.4070 7.3013 119.4207 66.0321 31.3381 177.7799 123 A 3.8130 7.7823 120.5461 54.7900 18.0433 179.0730 124 E 4.1062 8.3531 118.1269 59.6070 29.7662 178.9963 125 F 4.1454 8.5100 120.5416 61.3918 39.5396 177.1206 126 I 3.6866 8.2089 119.5754 64.5799 36.7751 178.1987 127 M 4.0568 8.4816 119.8026 58.7835 31.7250 178.7009 128 N 4.4500 8.0009 114.6334 55.1861 38.7969 176.1970 129 N 4.7104 7.4781 115.1871 52.9460 40.7303 175.0592 130 T 4.4979 7.7528 107.2610 59.6722 70.9765 175.8363 131 G 3.8163 8.0654 110.1911 48.3313 0.0000 175.5498 132 E 3.9279 8.0761 120.4949 58.7557 29.4939 178.8812 133 W 3.9612 8.1840 127.8696 60.5764 30.6376 177.6933 134 I 3.3918 8.4491 119.8872 64.2407 36.5815 178.2315 135 R 3.8076 7.8235 119.2860 59.7030 29.8041 178.5727 136 Q 4.0805 7.8309 115.5051 57.6092 28.2737 176.8782 137 N 4.5359 7.3865 117.5573 52.8108 38.9313 176.0816 138 G 3.9571 8.0043 106.8560 44.3058 0.0000 175.9933 139 G 4.0539 8.1711 109.0927 45.1484 0.0000 174.4064 140 W 4.2123 9.0053 117.3153 60.0007 29.4692 178.5300 141 E 4.1892 8.1047 115.1266 58.4163 29.0566 177.3742 142 N 4.8131 8.0474 113.4354 53.0154 39.1530 175.0493 143 G 4.2150 7.1814 103.7907 45.0931 0.0000 175.0536 144 F 2.8959 7.5876 121.2283 59.9410 39.6097 178.0426 145 V 3.3811 8.1019 118.1868 65.9583 31.1430 178.0222 146 K 4.0971 7.8108 117.7840 58.7516 31.9347 178.7006 147 K 3.8963 7.4861 118.7203 58.4762 32.2685 177.9877 148 F 4.4444 7.5124 115.0956 56.1407 39.8881 175.9554 149 E 4.1402 7.6028 117.8241 55.0790 30.0688 174.7317 150 P 4.3413 0.0000 0.0000 62.6312 32.0050 176.7849 151 K 4.1309 8.4793 119.4644 57.2292 32.6763 176.8042 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 T 8.17 4.36 4.29 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 1.24 0.00 0.00 3 D 7.84 3.48 0.00 2.42 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 C 9.03 4.05 0.00 3.24 3.17 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 5 E 7.49 4.77 0.00 2.34 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 0.00 2.38 2.47 0.00 6 F 8.98 4.09 0.00 3.22 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 7 G 8.41 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 0.00 0.00 0.00 8 Y 8.10 3.97 0.00 3.09 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 9 I 7.94 3.63 1.78 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.90 0.95 0.00 0.00 10 Y 8.23 3.77 0.00 2.71 3.12 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 0.00 0.00 0.00 11 R 8.11 3.73 0.00 2.02 1.85 0.00 3.12 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.49 0.00 12 L 7.52 3.62 0.00 1.63 1.23 -0.55 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.08 4.28 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 14 Q 7.87 4.07 0.00 1.59 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 15 D 8.19 4.43 0.00 2.78 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 Y 8.04 4.10 0.00 3.03 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 17 L 7.75 3.79 0.00 1.75 1.56 1.02 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 7.84 3.52 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 1.89 2.19 0.00 19 C 7.79 3.88 0.00 2.84 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 20 V 7.02 3.33 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.30 0.00 0.00 21 L 7.75 4.02 0.00 1.43 1.53 0.71 1.18 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 22 Q 7.38 3.40 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.61 0.00 0.00 0.00 0.00 0.00 2.15 2.30 0.00 23 I 7.41 4.40 1.77 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.39 0.81 0.00 0.00 24 P 0.00 4.29 0.00 2.16 2.05 0.00 3.65 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 25 Q 8.22 4.45 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.01 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 26 P 0.00 4.67 0.00 2.07 1.63 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 27 G 8.81 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.12 3.99 0.00 4.07 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 7.95 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 30 P 0.00 4.36 0.00 2.01 1.93 0.00 3.65 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 31 S 8.24 4.39 0.00 4.08 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 32 K 8.53 3.93 0.00 1.87 1.89 0.00 1.75 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.55 1.56 7.81 33 T 7.98 4.01 4.34 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 1.41 0.00 0.00 34 S 7.76 3.89 0.00 3.70 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 0.00 35 R 8.09 3.90 0.00 2.06 1.97 0.00 3.25 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 36 V 7.99 3.64 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 0.90 0.00 0.00 1.02 0.00 0.00 37 L 8.38 4.09 0.00 1.61 1.61 0.22 -0.32 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 38 Q 8.59 4.34 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.60 0.00 0.00 0.00 0.00 0.00 2.53 2.52 0.00 39 N 8.01 4.39 0.00 2.89 3.02 0.00 0.00 6.94 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 40 V 7.79 3.74 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 0.75 0.00 0.00 1.00 0.00 0.00 41 A 8.48 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 8.27 4.66 0.00 3.48 3.25 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 0.00 43 S 8.12 4.08 0.00 3.97 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.74 3.55 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 1.07 0.00 0.00 1.04 0.00 0.00 45 Q 8.40 3.98 0.00 2.36 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.57 0.00 0.00 0.00 0.00 0.00 2.47 2.60 0.00 46 K 7.71 3.80 0.00 1.67 1.70 0.00 1.61 0.00 0.00 1.43 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.92 0.72 7.81 47 E 7.72 4.03 0.00 2.07 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 2.53 2.46 0.00 48 V 8.09 3.65 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 1.12 0.00 0.00 1.00 0.00 0.00 49 E 8.48 4.00 0.00 2.22 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 2.34 2.49 0.00 50 K 7.47 4.13 0.00 1.95 1.94 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.63 1.49 7.81 51 N 8.02 4.56 0.00 2.81 2.92 0.00 0.00 6.81 7.94 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 52 L 7.50 4.63 0.00 1.98 1.62 0.93 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 53 K 7.68 3.88 0.00 1.98 1.80 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.46 7.81 54 S 7.98 4.05 0.00 3.91 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 55 C 8.15 4.17 0.00 3.04 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 56 L 7.94 4.14 0.00 1.93 1.72 0.97 0.94 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 57 D 7.86 4.52 0.00 2.82 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 58 N 7.51 4.80 0.00 2.90 2.84 0.00 0.00 6.66 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 59 V 7.65 4.36 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 0.83 0.00 0.00 0.96 0.00 0.00 60 N 8.63 4.91 0.00 2.74 2.76 0.00 0.00 6.96 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 61 V 8.50 3.95 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 0.98 0.00 0.00 0.94 0.00 0.00 62 V 8.04 4.54 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 1.08 0.00 0.00 0.94 0.00 0.00 63 S 7.32 4.82 0.00 4.01 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 64 V 8.31 3.74 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 1.23 0.00 0.00 0.99 0.00 0.00 65 D 8.04 4.36 0.00 2.74 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 66 T 7.83 3.86 4.40 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 1.28 0.00 0.00 67 A 8.10 4.04 1.52 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 68 R 7.87 2.51 0.00 1.42 1.80 0.00 3.09 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 1.28 0.50 0.00 69 T 7.87 3.81 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 1.21 0.00 0.00 70 L 8.23 3.98 0.00 1.86 2.00 1.01 1.13 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 71 F 8.67 4.39 0.00 3.43 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 72 N 8.64 4.19 0.00 2.88 2.89 0.00 0.00 7.11 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 8.29 3.94 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 74 V 7.72 3.36 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 0.31 0.00 0.00 0.84 0.00 0.00 75 M 7.76 3.71 0.00 0.51 0.89 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.25 0.00 76 E 7.92 4.07 0.00 2.06 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 0.00 2.34 2.40 0.00 77 K 7.86 4.08 0.00 1.74 1.76 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.53 7.81 78 E 8.09 3.77 0.00 1.76 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 1.53 1.98 0.00 79 F 7.81 4.71 0.00 3.33 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 80 E 7.85 4.14 0.00 2.05 2.29 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 2.54 2.23 0.00 81 D 8.02 4.40 0.00 2.76 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.09 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 83 I 8.41 4.28 1.94 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 1.28 0.60 0.82 0.00 0.00 84 I 7.72 4.46 0.70 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.45 -0.19 0.00 0.00 85 N 7.64 4.09 0.00 3.00 2.80 0.00 0.00 6.27 8.88 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 86 W 8.93 4.79 0.00 3.86 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 87 G 8.66 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.54 3.97 0.00 1.93 1.95 0.00 2.96 0.00 0.00 2.53 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.68 0.00 89 I 8.15 4.14 2.32 0.00 0.00 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 1.44 1.46 1.40 0.00 0.00 90 V 8.45 3.80 2.39 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 1.07 0.00 0.00 0.90 0.00 0.00 91 T 7.89 4.11 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 92 I 7.71 3.83 2.03 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.09 1.03 0.00 0.00 93 F 8.33 4.03 0.00 2.95 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 94 A 8.00 4.16 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 F 8.69 4.20 0.00 3.25 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 96 E 8.58 4.06 0.00 2.35 2.35 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 2.27 2.17 0.00 97 G 8.49 4.19 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 0.00 98 I 7.97 3.71 1.81 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.12 0.82 0.00 0.00 99 L 7.76 3.79 0.00 1.79 1.67 1.19 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 100 I 7.67 3.66 1.84 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.47 0.90 0.00 0.00 101 K 7.92 3.94 0.00 2.03 1.83 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.65 7.81 102 K 7.93 3.98 0.00 1.94 2.00 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.98 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.45 1.59 7.81 103 L 8.23 4.21 0.00 1.86 1.84 0.96 0.46 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 0.00 104 L 8.09 3.98 0.00 1.64 1.84 0.92 1.23 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 0.00 105 R 7.53 4.27 0.00 1.81 2.10 0.00 3.26 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 106 Q 8.12 4.53 0.00 2.37 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.77 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 107 Q 8.04 4.35 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.96 0.00 0.00 0.00 0.00 0.00 2.46 2.35 0.00 108 I 8.65 3.81 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 1.24 0.66 0.92 0.00 0.00 109 A 7.49 4.53 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 0.00 110 P 0.00 4.20 0.00 2.05 2.05 0.00 3.62 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 2.04 2.23 0.00 111 D 8.59 4.90 0.00 2.70 2.47 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 0.00 112 V 8.46 4.19 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 0.79 0.00 0.00 0.94 0.00 0.00 113 D 7.74 4.62 0.00 2.68 2.52 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 0.00 114 T 7.61 3.88 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 115 Y 7.90 4.18 0.00 3.07 3.20 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 0.00 116 K 7.94 3.90 0.00 1.66 1.88 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.49 1.23 7.81 117 E 8.25 4.09 0.00 1.97 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 2.24 2.50 0.00 118 I 7.44 2.30 1.67 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.99 0.56 0.00 0.00 119 S 7.52 4.01 0.00 3.59 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 0.00 120 Y 7.66 4.32 0.00 3.42 3.25 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 0.00 121 F 7.77 4.54 0.00 3.40 3.55 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 0.00 122 V 7.30 3.41 1.94 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 0.72 0.00 0.00 0.34 0.00 0.00 123 A 7.78 3.81 0.70 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 0.00 0.00 124 E 8.35 4.11 0.00 2.11 2.27 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 2.51 2.47 0.00 125 F 8.51 4.15 0.00 3.54 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 I 8.21 3.69 2.06 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.84 1.14 0.00 0.00 127 M 8.48 4.06 0.00 2.10 2.47 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.79 0.00 128 N 8.00 4.45 0.00 2.60 2.82 0.00 0.00 6.98 8.04 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 0.00 129 N 7.48 4.71 0.00 1.63 2.15 0.00 0.00 6.73 8.07 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 0.00 130 T 7.75 4.50 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 131 G 8.07 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 0.00 132 E 8.08 3.93 0.00 2.04 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 2.40 2.36 0.00 133 W 8.18 3.96 0.00 3.31 3.19 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 0.00 134 I 8.45 3.39 2.01 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.63 0.72 0.00 0.00 135 R 7.82 3.81 0.00 1.96 2.05 0.00 3.09 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 136 Q 7.83 4.08 0.00 1.75 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.11 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 137 N 7.39 4.54 0.00 1.52 2.25 0.00 0.00 7.03 7.82 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 0.00 138 G 8.00 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 0.00 139 G 8.17 4.05 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 0.00 0.00 0.00 140 W 9.01 4.21 0.00 3.68 3.47 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 0.00 141 E 8.10 4.19 0.00 2.09 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 2.49 2.44 0.00 142 N 8.05 4.81 0.00 2.89 2.84 0.00 0.00 6.76 8.78 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 0.00 143 G 7.18 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 F 7.59 2.90 0.00 1.51 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 V 8.10 3.38 2.30 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 1.07 0.00 0.00 1.18 0.00 0.00 146 K 7.81 4.10 0.00 1.70 1.81 0.00 1.84 0.00 0.00 2.26 0.00 0.00 3.17 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.36 7.81 147 K 7.49 3.90 0.00 1.57 1.76 0.00 1.91 0.00 0.00 1.92 0.00 0.00 3.10 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.30 1.02 7.81 148 F 7.51 4.44 0.00 2.20 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 0.00 149 E 7.60 4.14 0.00 2.10 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 2.31 2.24 0.00 150 P 0.00 4.34 0.00 2.05 2.04 0.00 3.66 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 151 K 8.48 4.13 0.00 1.84 1.76 0.00 1.59 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.41 7.81