NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 P 4.4024 0.0000 0.0000 62.4794 33.2596 177.2863 8 E 4.2242 7.9606 112.2801 54.8099 30.5655 175.3591 9 T 4.0575 8.3633 112.9191 61.3848 71.7975 175.7914 10 L 4.0407 8.5778 123.8021 58.5773 41.7478 179.6501 11 E 3.9872 8.3964 117.2783 59.6733 29.0182 179.3417 12 A 4.0534 7.8246 120.1787 54.9683 18.3783 180.0300 13 R 3.9166 8.2964 116.7635 59.5408 30.2907 179.0803 14 I 3.2443 8.4851 118.7188 64.0410 37.6632 177.6414 15 N 4.3295 8.0074 116.4214 55.8161 38.1321 177.0568 16 R 4.1476 7.5440 118.8782 58.6308 30.3513 178.6910 17 A 3.9682 8.2069 120.1573 54.1070 18.2852 178.2388 18 T 4.0400 7.2079 105.3012 60.9857 69.2593 173.6723 19 N 4.1835 7.5493 121.3518 53.7836 38.9619 173.9357 20 P 4.3524 0.0000 0.0000 65.2898 31.6384 177.3615 21 L 4.1932 8.1642 119.1388 56.8871 42.2887 176.6853 22 N 4.3232 8.0724 116.1381 53.7135 38.6987 175.1901 23 K 4.1565 8.7925 122.8205 59.0377 33.2602 176.5899 24 E 4.7634 7.9457 115.1274 54.4588 32.0582 174.4761 25 L 3.7957 8.5512 119.6664 55.7386 42.2845 177.4748 26 D 4.7839 7.8194 121.4599 51.5195 40.8275 176.0870 27 W 4.5247 8.2741 123.8434 59.1880 29.2886 177.1169 28 A 4.2049 8.2359 120.1913 55.7022 17.8684 179.8217 29 S 4.1527 8.1686 113.1586 61.6191 62.9276 177.1562 30 I 3.7612 8.0226 122.6952 64.4092 36.8152 178.2669 31 N 4.5318 9.2084 118.2943 56.3876 38.3982 177.5017 32 G 3.7764 8.5145 107.5463 47.9953 0.0000 175.3953 33 F 4.0712 8.3548 122.6442 61.2746 38.9941 176.6407 34 C 4.0176 8.2112 115.9663 60.0109 39.7712 176.0222 35 E 3.8083 8.0909 119.1960 59.4051 29.1174 178.8933 36 Q 3.9700 7.9061 118.9116 58.8186 29.3309 177.9309 37 L 3.9878 7.2421 121.0405 58.1871 40.3625 178.6369 38 N 4.4089 7.2642 112.4667 53.7606 38.1895 174.9950 39 E 4.5975 7.5731 115.6140 54.4131 29.8341 175.4779 40 D 3.8494 7.3521 113.3637 54.0987 44.4093 176.2264 41 F 4.3002 7.8199 122.3538 59.1176 38.3282 175.5981 42 E 4.5538 8.4072 117.6697 56.3595 30.7809 177.8088 43 G 3.5664 7.9949 107.7775 47.6196 0.0000 173.6601 44 P 4.3826 0.0000 0.0000 64.7147 31.4780 176.8640 45 P 4.7230 0.0000 0.0000 65.0697 31.2910 178.4582 46 L 4.0337 7.9826 118.4742 57.7937 41.9313 178.9853 47 A 4.2130 8.1284 121.1873 55.4955 18.3558 179.6545 48 T 3.7055 8.1825 108.4990 64.8463 68.4745 176.5536 49 R 3.9676 8.0825 121.4161 59.3854 30.2189 178.5933 50 L 4.1000 8.1731 118.7668 57.6200 41.5695 179.6622 51 L 3.9962 8.7849 119.1891 57.7629 41.4455 179.0030 52 A 4.1696 8.3657 119.7422 55.8015 18.5574 178.8333 53 H 4.2108 8.1427 116.4238 59.4594 30.0001 177.3636 54 K 3.8011 7.9842 119.6150 59.8492 31.7613 179.4259 55 I 3.8235 8.2207 118.9165 63.7190 37.0670 177.4575 56 Q 4.3256 7.6985 116.5641 54.8371 29.3427 175.9722 57 S 4.1768 7.2590 115.9153 57.6018 62.9391 172.6075 58 P 4.2602 0.0000 0.0000 65.3331 31.4941 176.5049 59 Q 4.1996 8.1218 117.8374 55.0455 28.1494 175.9417 60 E 3.9389 9.1271 124.7899 59.4315 29.3728 178.6474 61 W 4.8734 8.3165 127.0250 59.9788 30.7303 177.4171 62 E 3.7785 8.2610 119.5275 59.1150 29.1751 178.4295 63 A 4.0968 7.8127 120.3386 55.1494 18.4965 179.4925 64 I 3.7068 8.2735 118.7485 64.6664 37.1886 178.7524 65 Q 3.5840 7.3409 118.6020 58.4578 28.3108 178.4751 66 A 3.8446 7.8368 121.8647 55.1817 18.3491 179.6775 67 L 4.0408 8.3801 117.8583 58.3320 41.6483 179.9424 68 T 3.9414 7.9908 115.7868 66.4216 68.2798 176.9849 69 V 3.6402 7.7324 120.4393 65.7272 31.5661 177.8024 70 L 4.2074 8.2988 120.3693 58.3076 41.7939 178.5070 71 E 4.3272 8.5294 118.1906 59.7567 29.7783 178.7341 72 T 4.1820 8.1538 115.6220 67.1261 68.8298 176.3090 73 C 4.3749 8.8799 118.6062 60.0786 39.8424 176.1161 74 M 4.3212 8.1795 119.9907 58.3381 31.5672 178.5366 75 K 4.2885 8.0562 118.1355 58.0100 33.6056 177.7906 76 S 4.8298 7.2626 110.7965 55.8226 62.3953 172.7181 77 C 4.6244 7.4080 117.2752 58.4507 32.8782 176.0639 78 G 3.9312 8.0313 109.1061 44.2259 0.0000 174.1632 79 K 3.9449 8.5564 119.3896 59.2997 31.8659 179.8295 80 R 3.9179 8.0021 118.2711 59.5944 30.1414 178.2270 81 F 4.1208 8.0341 119.0022 61.1173 39.5582 177.0749 82 H 3.9498 8.2352 115.8246 58.7344 28.3819 177.4018 83 D 4.2645 8.6275 121.2223 56.9670 40.7267 178.5932 84 E 3.8430 7.3718 118.9751 59.2782 29.1788 179.4792 85 V 3.4692 6.8699 117.0296 65.3705 31.5222 178.0923 86 G 3.5887 7.1366 106.4200 45.7059 0.0000 174.5111 87 K 3.9664 7.4321 120.8597 55.8987 32.7363 178.2370 88 F 4.4065 8.3425 121.2391 60.3820 38.5513 177.6579 89 R 3.9123 8.2261 117.5269 58.6637 30.0329 176.8769 90 F 4.6992 8.2299 119.0053 60.1053 40.3961 177.2567 91 L 3.8569 8.0731 117.9937 58.1312 41.3837 179.1006 92 N 4.2064 8.4813 116.2909 56.5815 38.3019 177.0478 93 E 3.9377 7.5911 117.8767 59.4523 29.8506 179.3327 94 L 4.0350 7.3029 118.3215 57.8049 41.7375 179.2607 95 I 3.7239 7.8259 119.9804 64.3644 36.9258 178.5472 96 K 3.6610 8.3321 119.6515 59.4668 31.4140 179.5612 97 V 3.6076 7.6511 117.9664 65.4329 31.2145 177.9462 98 V 4.0297 7.6376 110.0010 62.1352 32.7228 175.9856 99 S 4.4556 8.3813 116.2923 56.8026 62.7880 173.1124 100 P 4.3875 0.0000 0.0000 65.3409 31.2815 178.1201 101 K 4.0407 7.9517 117.6477 57.9717 33.4696 176.1805 102 Y 4.5141 7.7888 110.2435 58.4835 38.6890 175.7181 103 L 4.6287 5.9259 129.0447 54.7967 43.3476 178.5118 104 G 3.8698 8.5325 110.0612 49.2834 0.0000 176.3434 105 S 4.1264 8.1149 114.7965 61.0488 62.9363 175.1855 106 R 4.3923 7.6781 116.3678 56.2948 30.2658 176.1415 107 T 4.4819 7.2665 115.4092 61.7493 69.9513 175.5260 108 S 4.2079 8.5249 121.1963 58.5514 64.4819 175.0352 109 E 3.9371 8.9916 125.5217 59.3217 29.2234 179.0493 110 K 3.8988 7.9916 119.1147 59.5956 32.5586 178.5947 111 V 3.6393 7.6205 118.1082 66.0013 31.3564 178.2335 112 K 3.9725 8.0956 118.0060 59.6197 31.9068 178.9347 113 N 4.3233 8.3264 116.8902 56.3391 38.4447 177.3303 114 K 4.0848 8.1262 120.8103 59.5788 32.2512 178.8289 115 I 3.6805 7.6719 119.7266 64.5097 37.1373 178.4575 116 L 4.1289 8.0820 119.7077 57.7116 41.3815 179.5008 117 E 3.9816 8.3818 118.9126 59.2329 29.3277 179.2065 118 L 3.1815 7.7162 118.9078 57.5790 41.5997 179.3324 119 L 4.0216 7.5232 118.6982 58.1239 41.7246 179.2327 120 Y 3.1730 7.5038 120.0562 60.0447 38.8385 177.5109 121 S 3.7902 8.0717 114.4209 61.5297 62.2564 176.3595 122 W 4.4633 8.1427 121.7787 59.6153 28.5550 178.7159 123 T 3.9086 7.7623 109.6758 63.9455 67.8492 176.6757 124 V 3.7286 7.0789 120.1996 65.2503 32.0642 177.6918 125 G 3.8582 7.8052 102.1573 45.5573 0.0000 173.4862 126 L 5.2994 8.3271 120.7890 51.7539 42.6153 175.7593 127 P 4.3268 0.0000 0.0000 65.7437 32.1817 177.9550 128 E 4.0415 8.4581 118.6310 59.6435 29.2250 177.3280 129 E 4.1215 7.6434 122.4904 56.3564 27.3535 177.7558 130 V 3.6743 8.1095 122.9473 65.7757 31.7762 177.1120 131 K 3.7473 7.9870 117.6596 59.5166 31.6643 179.1136 132 I 3.7704 7.6428 119.1118 64.3716 37.1412 178.1587 133 A 4.1312 7.7391 121.0387 55.2266 18.2011 179.0277 134 E 3.9756 9.3142 118.8319 59.6410 29.6525 179.0982 135 A 4.1233 8.6985 121.0073 55.3938 18.6776 178.9022 136 Y 4.1511 8.5638 118.4955 60.8575 38.7276 178.2416 137 Q 3.8628 8.7063 120.9394 59.3527 29.1979 177.7538 138 M 3.9837 7.8567 118.8702 58.8352 32.3940 178.2459 139 L 3.9762 7.8920 118.8578 57.1813 41.5843 179.5195 140 K 3.7229 7.5282 119.5256 59.4934 32.0341 179.1390 141 K 3.9424 8.0168 117.6822 59.2593 32.0396 178.4365 142 Q 4.1668 7.9889 117.5437 56.4851 29.0429 176.8054 143 G 3.9388 8.1624 107.3677 46.4626 0.0000 174.7113 144 I 3.9082 7.4328 119.4781 62.6722 37.5146 176.3057 145 V 3.9444 7.4192 124.4608 62.8412 31.6649 174.7562 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 7 P 0.00 4.40 0.00 2.06 2.18 0.00 3.63 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.08 0.00 8 E 7.96 4.22 0.00 2.11 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 2.21 2.42 0.00 9 T 8.36 4.06 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 1.21 0.00 0.00 10 L 8.58 4.04 0.00 1.77 1.90 0.63 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.40 3.99 0.00 2.08 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 2.43 2.50 0.00 12 A 7.82 4.05 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 13 R 8.30 3.92 0.00 2.31 2.21 0.00 3.18 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 14 I 8.49 3.24 1.55 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.98 0.94 0.00 0.00 15 N 8.01 4.33 0.00 2.91 2.84 0.00 0.00 7.05 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 16 R 7.54 4.15 0.00 2.07 1.93 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 17 A 8.21 3.97 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 18 T 7.21 4.04 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 0.98 0.00 0.00 19 N 7.55 4.18 0.00 2.95 2.72 0.00 0.00 7.21 7.37 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 20 P 0.00 4.35 0.00 2.11 2.29 0.00 3.70 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 2.04 0.00 21 L 8.16 4.19 0.00 1.85 1.73 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 22 N 8.07 4.32 0.00 3.07 3.16 0.00 0.00 7.02 7.73 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 23 K 8.79 4.16 0.00 1.83 1.94 0.00 1.62 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.43 7.81 24 E 7.95 4.76 0.00 2.10 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 2.21 2.37 0.00 25 L 8.55 3.80 0.00 1.38 0.81 0.75 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 26 D 7.82 4.78 0.00 2.62 2.40 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 27 W 8.27 4.52 0.00 3.48 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 28 A 8.24 4.20 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 29 S 8.17 4.15 0.00 4.01 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 30 I 8.02 3.76 2.05 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.02 1.08 0.00 0.00 31 N 9.21 4.53 0.00 2.88 2.92 0.00 0.00 6.93 5.94 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 32 G 8.51 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 33 F 8.35 4.07 0.00 3.15 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 34 C 8.21 4.02 0.00 3.16 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 35 E 8.09 3.81 0.00 2.00 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 2.30 2.47 0.00 36 Q 7.91 3.97 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.02 0.00 0.00 0.00 0.00 0.00 2.41 2.25 0.00 37 L 7.24 3.99 0.00 1.57 1.27 0.63 -0.30 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 38 N 7.26 4.41 0.00 2.79 2.79 0.00 0.00 6.77 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.57 4.60 0.00 1.90 1.82 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 2.20 2.09 0.00 40 D 7.35 3.85 0.00 2.53 2.46 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 41 F 7.82 4.30 0.00 3.05 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 42 E 8.41 4.55 0.00 2.27 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.34 0.00 43 G 7.99 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 44 P 0.00 4.38 0.00 2.22 2.29 0.00 3.63 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 45 P 0.00 4.72 0.00 2.19 2.12 0.00 4.04 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 2.15 2.12 0.00 46 L 7.98 4.03 0.00 1.83 1.92 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.13 4.21 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.18 3.71 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 0.86 0.00 0.00 49 R 8.08 3.97 0.00 1.99 2.27 0.00 3.13 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 50 L 8.17 4.10 0.00 2.06 1.76 1.06 0.55 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 51 L 8.78 4.00 0.00 1.97 1.91 1.19 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.37 4.17 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 53 H 8.14 4.21 0.00 3.19 3.50 0.00 5.61 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 54 K 7.98 3.80 0.00 1.88 1.78 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.70 1.55 7.81 55 I 8.22 3.82 2.14 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.66 0.94 0.00 0.00 56 Q 7.70 4.33 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 57 S 7.26 4.18 0.00 3.77 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 58 P 0.00 4.26 0.00 2.09 2.11 0.00 3.72 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 2.03 2.11 0.00 59 Q 8.12 4.20 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.69 0.00 0.00 0.00 0.00 0.00 2.40 2.30 0.00 60 E 9.13 3.94 0.00 2.08 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 2.46 0.00 61 W 8.32 4.87 0.00 3.41 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.26 3.78 0.00 2.01 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 2.36 2.32 0.00 63 A 7.81 4.10 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 64 I 8.27 3.71 1.99 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 1.85 1.05 1.06 0.00 0.00 65 Q 7.34 3.58 0.00 1.50 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 66 A 7.84 3.84 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 67 L 8.38 4.04 0.00 1.83 1.79 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 68 T 7.99 3.94 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 1.09 0.00 0.00 69 V 7.73 3.64 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 0.86 0.00 0.00 0.79 0.00 0.00 70 L 8.30 4.21 0.00 2.06 2.11 1.05 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.53 4.33 0.00 2.20 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 0.00 2.48 2.49 0.00 72 T 8.15 4.18 4.57 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 1.38 0.00 0.00 73 C 8.88 4.37 0.00 2.76 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 M 8.18 4.32 0.00 2.05 2.66 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.78 0.00 75 K 8.06 4.29 0.00 1.91 1.93 0.00 1.69 0.00 0.00 1.80 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.58 1.81 7.81 76 S 7.26 4.83 0.00 4.00 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 77 C 7.41 4.62 0.00 3.13 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 G 8.03 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 0.00 0.00 0.00 79 K 8.56 3.94 0.00 1.80 1.79 0.00 1.74 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.93 1.51 7.81 80 R 8.00 3.92 0.00 1.88 2.01 0.00 3.15 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 81 F 8.03 4.12 0.00 2.92 2.97 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 82 H 8.24 3.95 0.00 3.19 3.31 0.00 5.68 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 D 8.63 4.26 0.00 2.62 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 E 7.37 3.84 0.00 1.80 1.76 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 2.45 2.39 0.00 85 V 6.87 3.47 1.38 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 0.33 0.00 0.00 -0.30 0.00 0.00 86 G 7.14 3.59 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 0.00 87 K 7.43 3.97 0.00 1.97 1.71 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.54 7.81 88 F 8.34 4.41 0.00 3.11 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 89 R 8.23 3.91 0.00 1.84 2.04 0.00 3.30 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 90 F 8.23 4.70 0.00 3.11 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 91 L 8.07 3.86 0.00 1.92 1.87 0.99 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.48 4.21 0.00 2.74 2.76 0.00 0.00 7.01 8.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 E 7.59 3.94 0.00 1.77 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 2.29 2.52 0.00 94 L 7.30 4.03 0.00 1.75 1.68 1.09 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 95 I 7.83 3.72 1.91 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 1.54 0.86 0.88 0.00 0.00 96 K 8.33 3.66 0.00 1.84 1.77 0.00 1.64 0.00 0.00 1.47 0.00 0.00 2.75 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.88 1.25 7.81 97 V 7.65 3.61 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 1.04 0.00 0.00 0.95 0.00 0.00 98 V 7.64 4.03 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 0.77 0.00 0.00 1.05 0.00 0.00 99 S 8.38 4.46 0.00 4.02 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 0.00 100 P 0.00 4.39 0.00 2.19 2.08 0.00 3.66 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 101 K 7.95 4.04 0.00 1.50 1.28 0.00 1.53 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.63 1.13 7.81 102 Y 7.79 4.51 0.00 3.23 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 L 5.93 4.63 0.00 1.83 1.70 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 104 G 8.53 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 0.00 105 S 8.11 4.13 0.00 3.87 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 R 7.68 4.39 0.00 1.76 1.97 0.00 3.16 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 107 T 7.27 4.48 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 1.23 0.00 0.00 108 S 8.52 4.21 0.00 4.06 4.03 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 0.00 109 E 8.99 3.94 0.00 2.10 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 2.39 2.45 0.00 110 K 7.99 3.90 0.00 1.88 1.82 0.00 1.83 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.53 7.81 111 V 7.62 3.64 2.22 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 0.99 0.00 0.00 0.96 0.00 0.00 112 K 8.10 3.97 0.00 2.01 1.85 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.49 7.81 113 N 8.33 4.32 0.00 2.91 2.88 0.00 0.00 6.74 8.55 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 0.00 114 K 8.13 4.08 0.00 1.97 1.95 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.50 7.81 115 I 7.67 3.68 2.06 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 1.56 0.65 0.95 0.00 0.00 116 L 8.08 4.13 0.00 1.91 1.81 0.98 0.80 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 0.00 117 E 8.38 3.98 0.00 2.08 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 2.33 2.52 0.00 118 L 7.72 3.18 0.00 1.13 0.13 0.96 0.30 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 0.00 119 L 7.52 4.02 0.00 1.81 1.95 1.09 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 7.50 3.17 0.00 2.83 2.95 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 0.00 121 S 8.07 3.79 0.00 3.72 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 0.00 122 W 8.14 4.46 0.00 3.44 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 0.00 123 T 7.76 3.91 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 1.24 0.00 0.00 124 V 7.08 3.73 1.72 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 0.72 0.00 0.00 0.29 0.00 0.00 125 G 7.81 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 0.00 126 L 8.33 5.30 0.00 1.85 1.54 0.60 0.95 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 0.00 127 P 0.00 4.33 0.00 2.17 2.19 0.00 3.77 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 128 E 8.46 4.04 0.00 2.06 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 2.39 2.41 0.00 129 E 7.64 4.12 0.00 1.92 1.82 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 2.24 2.23 0.00 130 V 8.11 3.67 2.08 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 1.11 0.00 0.00 0.97 0.00 0.00 131 K 7.99 3.75 0.00 1.56 1.05 0.00 1.38 0.00 0.00 1.03 0.00 0.00 2.80 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.79 1.29 7.81 132 I 7.64 3.77 2.07 0.00 0.00 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 1.63 0.66 1.13 0.00 0.00 133 A 7.74 4.13 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 0.00 0.00 134 E 9.31 3.98 0.00 2.19 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 0.00 2.47 2.46 0.00 135 A 8.70 4.12 1.63 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 0.00 136 Y 8.56 4.15 0.00 3.25 3.29 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 0.00 137 Q 8.71 3.86 0.00 2.43 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.56 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 138 M 7.86 3.98 0.00 2.11 2.06 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 2.59 2.58 0.00 139 L 7.89 3.98 0.00 1.78 1.63 0.98 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 140 K 7.53 3.72 0.00 1.50 1.77 0.00 1.59 0.00 0.00 1.50 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.32 7.81 141 K 8.02 3.94 0.00 1.72 1.84 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.42 7.81 142 Q 7.99 4.17 0.00 2.38 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.70 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 143 G 8.16 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 0.00 0.00 0.00 144 I 7.43 3.91 2.01 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 1.18 0.72 0.91 0.00 0.00 145 V 7.42 3.94 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 0.74 0.00 0.00 0.83 0.00 0.00