NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.7570 8.4549 115.4716 54.6924 43.1296 172.8797 2 D 4.3518 8.5251 119.4963 53.9540 40.8899 175.3898 3 I 2.9861 7.8750 124.9733 60.2320 38.5290 174.1552 4 P 4.4208 0.0000 0.0000 62.1402 32.4168 175.8242 5 Q 4.2480 8.6776 121.5090 59.4149 29.7891 176.1585 6 S 5.1819 7.7410 110.0380 57.6373 66.5014 173.2127 7 T 4.6663 8.9351 113.7195 60.7555 71.3824 172.0033 8 N 5.0985 9.1827 126.5800 52.4620 40.9774 173.1673 9 C 4.9589 9.5643 126.7500 55.8998 39.7196 174.2551 10 G 4.1254 9.8072 115.5462 46.4001 0.0000 172.3913 11 G 3.9902 8.6409 109.2267 44.7210 0.0000 174.2965 12 N 4.5930 8.2695 118.1102 52.3724 39.7040 174.4857 13 V 4.5991 8.2128 124.5801 61.8571 32.8066 174.5680 14 Y 5.2064 8.9464 125.4240 56.3322 41.7943 175.1448 15 S 5.1770 9.1979 116.6864 56.7783 65.6770 174.7927 16 N 4.2522 8.7512 118.3518 56.4115 36.5142 177.0071 17 D 4.3132 8.0431 120.3789 57.2513 41.0108 178.2091 18 D 4.4062 8.1754 119.2787 57.4598 40.9404 179.0760 19 I 3.6047 7.7414 120.0839 64.3601 37.0602 177.9338 20 N 4.2144 8.2803 118.1021 57.1001 38.6839 176.8928 21 T 3.8182 8.2435 117.1345 66.4758 68.4258 176.4288 22 A 4.1184 8.0123 122.6045 55.3477 18.3899 179.8227 23 I 3.1358 7.5155 118.0720 64.2916 37.0686 178.3952 24 Q 3.8819 8.2723 120.9215 59.1251 28.7084 178.7283 25 G 3.4404 8.1696 106.6307 47.4844 0.0000 175.4732 26 A 3.1412 7.0408 123.2083 54.7292 18.0931 179.8330 27 L 3.9029 7.4889 116.2965 57.8610 41.7577 179.1078 28 D 4.3583 8.0819 117.3392 54.3699 42.0636 175.4334 29 D 4.3742 7.4122 118.0857 55.4344 39.6780 173.5368 30 V 4.1504 7.9911 111.2310 61.7500 33.4951 177.3752 31 A 4.6645 8.2916 123.4142 50.4126 19.0493 175.9239 32 N 5.0491 8.9083 116.7989 53.6391 40.8139 175.3416 33 G 3.7653 8.4016 109.5541 45.7986 0.0000 173.1655 34 D 4.9591 8.7520 117.2478 54.1806 41.1818 177.7526 35 R 4.0958 8.3756 118.0825 55.7588 30.6179 175.6400 36 P 4.4131 0.0000 0.0000 65.0761 31.7928 176.5622 37 D 4.8197 7.5486 119.0014 52.1164 40.0072 175.3937 38 N 4.6158 7.9580 118.7199 52.9806 39.7246 174.9797 39 Y 4.3352 8.3435 118.2685 57.0549 38.6966 174.0778 40 P 5.1707 0.0000 0.0000 63.7092 32.5390 174.9899 41 H 5.2309 9.0815 117.3051 53.8484 32.1248 174.0164 42 Q 4.4238 8.7240 119.5227 56.3158 29.3795 174.9554 43 Y 4.6860 8.2312 124.1535 56.0009 40.5939 174.5329 44 Y 4.7654 7.5564 123.1822 55.5910 41.0504 175.0186 45 D 4.2552 8.9162 122.8160 54.3502 42.0170 175.7009 46 E 4.4876 8.5135 124.3617 54.1975 31.7196 175.9029 47 A 4.0129 8.7572 128.6078 55.1442 18.5858 179.6532 48 S 4.2179 8.0065 108.8897 61.0184 63.1149 175.2529 49 E 4.0506 8.3850 119.9479 56.9169 29.6082 175.8391 50 D 4.3446 7.9420 117.4186 55.3575 39.9858 173.3170 51 I 4.5452 7.7440 117.7697 59.7439 39.1543 175.5536 52 T 4.4338 8.9763 122.8633 61.7708 69.9392 174.3973 53 L 4.4195 8.0502 126.0776 53.6490 43.2985 175.2050 54 C 4.8323 8.4138 114.8536 55.4216 41.9672 172.5463 55 C 4.5065 8.0092 115.1038 57.9609 42.7337 174.7183 56 G 3.9346 7.6939 115.0237 44.1051 0.0000 173.1490 57 S 4.2666 8.8569 118.1869 58.7434 63.3972 174.5897 58 G 2.3997 7.2358 111.5356 43.8138 0.0000 171.3428 59 P 4.0240 0.0000 0.0000 62.1004 32.6163 176.0325 60 W 5.2874 8.2607 121.0588 55.1699 32.9851 174.5881 61 S 5.2574 8.6283 117.7837 56.7313 67.0063 172.7368 62 E 5.6802 9.2576 118.2808 54.1685 33.2988 174.1315 63 F 5.1316 8.5337 121.6291 55.9119 43.3753 171.6356 64 P 4.2421 0.0000 0.0000 62.6518 31.7880 175.4735 65 L 4.3279 8.1448 126.7409 53.5322 42.6381 175.9497 66 V 4.4613 7.8216 118.3697 59.3606 35.7727 175.1767 67 Y 4.4945 8.3422 118.9694 59.1501 38.5688 175.3080 68 N 4.2214 8.9579 117.3135 54.4329 36.2929 174.4169 69 G 4.0698 7.8964 106.5405 43.9375 0.0000 171.6546 70 P 4.6734 0.0000 0.0000 61.8343 32.2606 175.3355 71 Y 4.0219 8.6259 120.3638 58.7964 39.2632 174.9258 72 Y 5.0906 6.7944 122.7226 56.1735 42.0543 173.2419 73 S 4.8446 8.8020 113.1049 57.3726 67.0417 173.1970 74 S 4.9603 8.5804 115.5275 56.5274 67.1315 172.8663 75 R 4.1427 8.5535 119.4938 58.3140 29.7877 175.4735 76 D 4.5445 9.2734 122.9939 54.7785 38.4533 173.3726 77 N 4.6683 7.7927 118.7625 52.9387 40.7077 172.6291 78 Y 4.7358 8.3102 123.1686 55.7016 41.1184 176.0125 79 V 3.5903 7.5134 124.1438 62.6963 32.1793 175.4874 80 S 4.3754 8.5939 121.2743 57.7289 62.7227 173.3575 81 P 3.8136 0.0000 0.0000 63.2851 31.5527 177.9229 82 G 3.9400 7.0700 103.5790 44.6230 0.0000 170.6563 83 P 4.7370 0.0000 0.0000 63.4877 32.9690 175.1066 84 D 5.3611 7.9286 120.6298 52.9951 43.5990 175.5251 85 R 4.8850 8.6748 119.5625 54.6210 35.2077 174.1017 86 V 4.6872 8.4517 121.2995 61.5179 33.9787 174.4689 87 I 4.9137 8.3643 128.1125 59.6886 39.5492 174.2874 88 Y 5.2203 8.3341 123.4630 55.1513 42.3316 173.8295 89 Q 4.6062 9.1603 122.3777 56.2767 29.4629 176.4815 90 T 3.9762 8.9224 124.4362 67.1073 68.9376 176.6513 91 N 4.5523 8.4070 117.2422 55.4418 38.8860 175.8625 92 T 4.4144 7.5894 106.1171 60.4273 70.6009 175.2921 93 G 3.9421 8.8164 109.5484 44.6679 0.0000 173.0878 94 E 4.1643 8.2002 122.1102 55.9355 30.7367 175.9051 95 F 4.5017 9.0306 129.2715 59.1433 39.7978 174.5728 96 C 4.4734 8.0011 122.1463 57.6213 41.6840 173.5684 97 A 4.2663 5.8000 117.2876 51.4592 22.1106 174.8115 98 T 4.9247 7.9405 108.9675 60.1674 71.6231 173.8215 99 V 4.8398 8.2043 116.3868 60.2237 36.7169 173.9856 100 T 5.0883 8.7045 115.1129 61.2791 70.5849 174.4772 101 H 4.8716 9.4911 123.4271 57.8209 29.2002 176.1201 102 T 3.9816 7.9310 117.3931 64.6905 68.4381 174.5668 103 G 3.8700 9.0401 113.4658 45.8438 0.0000 173.3995 104 A 4.2289 7.5775 121.6917 51.3874 18.9084 178.6438 105 A 4.1695 8.4834 122.8879 54.7966 18.8722 177.8007 106 S 4.6420 7.5863 108.5754 56.6945 65.9803 172.6996 107 Y 4.1750 8.4775 121.8538 59.3959 38.6030 176.0623 108 D 3.8766 7.9865 124.5119 54.3119 38.9228 174.1577 109 G 3.8100 7.8414 107.3664 46.2187 0.0000 172.9003 110 F 5.6543 9.1214 119.5290 56.0281 41.4900 175.2742 111 T 4.7970 8.9335 115.3027 60.1482 71.2618 172.6500 112 Q 4.3447 8.5993 127.0737 56.0690 29.8592 176.4024 113 C 4.7806 8.6449 123.9877 56.0748 41.6872 174.0584 114 S 4.2817 8.5258 114.1074 58.8337 62.6386 174.1563 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 C 8.45 4.76 0.00 3.16 3.42 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 2 D 8.53 4.35 0.00 2.77 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 3 I 7.87 2.99 1.65 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.22 0.55 0.00 0.00 4 P 0.00 4.42 0.00 2.32 2.01 0.00 3.00 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.93 0.00 5 Q 8.68 4.25 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.73 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 6 S 7.74 5.18 0.00 3.88 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 7 T 8.94 4.67 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 1.34 0.00 0.00 8 N 9.18 5.10 0.00 2.80 2.69 0.00 0.00 7.14 7.16 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 9 C 9.56 4.96 0.00 3.32 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 9.81 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 11 G 8.64 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 12 N 8.27 4.59 0.00 2.80 2.28 0.00 0.00 6.40 7.22 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 13 V 8.21 4.60 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 0.79 0.00 0.00 0.91 0.00 0.00 14 Y 8.95 5.21 0.00 2.90 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 15 S 9.20 5.18 0.00 3.92 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.75 4.25 0.00 2.86 3.28 0.00 0.00 7.42 8.10 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 17 D 8.04 4.31 0.00 2.74 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.18 4.41 0.00 2.96 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.74 3.60 1.83 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 1.35 1.19 0.74 0.00 0.00 20 N 8.28 4.21 0.00 2.74 2.77 0.00 0.00 7.30 7.89 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 21 T 8.24 3.82 4.47 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 1.27 0.00 0.00 22 A 8.01 4.12 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 23 I 7.52 3.14 1.71 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.81 0.44 0.00 0.00 24 Q 8.27 3.88 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 25 G 8.17 3.44 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 0.00 26 A 7.04 3.14 0.72 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 0.00 0.00 27 L 7.49 3.90 0.00 1.45 1.65 0.78 1.22 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 28 D 8.08 4.36 0.00 2.76 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 29 D 7.41 4.37 0.00 2.84 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 30 V 7.99 4.15 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 0.79 0.00 0.00 1.22 0.00 0.00 31 A 8.29 4.66 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 0.00 0.00 0.00 0.00 0.00 32 N 8.91 5.05 0.00 2.60 2.81 0.00 0.00 6.94 7.21 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 33 G 8.40 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.75 4.96 0.00 2.79 2.76 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 35 R 8.38 4.10 0.00 1.89 1.88 0.00 3.37 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.79 0.00 36 P 0.00 4.41 0.00 2.17 2.19 0.00 3.71 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 1.97 1.98 0.00 37 D 7.55 4.82 0.00 2.52 2.43 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 38 N 7.96 4.62 0.00 2.84 3.05 0.00 0.00 7.27 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 8.34 4.34 0.00 2.91 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 40 P 0.00 5.17 0.00 2.34 2.54 0.00 3.98 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 41 H 9.08 5.23 0.00 3.40 3.25 0.00 5.64 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 8.72 4.42 0.00 1.88 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.70 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 43 Y 8.23 4.69 0.00 2.89 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.56 4.77 0.00 2.90 2.80 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 45 D 8.92 4.26 0.00 2.80 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 46 E 8.51 4.49 0.00 2.22 1.83 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 2.28 2.38 0.00 47 A 8.76 4.01 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 48 S 8.01 4.22 0.00 4.00 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 49 E 8.38 4.05 0.00 2.16 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 0.00 2.44 2.28 0.00 50 D 7.94 4.34 0.00 2.79 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 51 I 7.74 4.55 1.93 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 1.40 0.97 0.76 0.00 0.00 52 T 8.98 4.43 4.18 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 1.16 0.00 0.00 53 L 8.05 4.42 0.00 1.28 1.15 -0.71 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 54 C 8.41 4.83 0.00 3.04 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 C 8.01 4.51 0.00 3.17 3.43 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 56 G 7.69 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 57 S 8.86 4.27 0.00 3.85 3.75 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 G 7.24 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 0.00 0.00 0.00 59 P 0.00 4.02 0.00 1.95 1.83 0.00 3.39 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 60 W 8.26 5.29 0.00 3.62 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.63 5.26 0.00 2.72 3.42 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 62 E 9.26 5.68 0.00 1.98 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 0.00 2.41 2.47 0.00 63 F 8.53 5.13 0.00 3.29 2.91 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 64 P 0.00 4.24 0.00 0.99 1.35 0.00 2.20 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 65 L 8.14 4.33 0.00 1.29 1.12 0.54 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.82 4.46 2.13 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 0.76 0.00 0.00 1.02 0.00 0.00 67 Y 8.34 4.49 0.00 3.11 2.91 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 68 N 8.96 4.22 0.00 2.95 2.95 0.00 0.00 6.94 7.65 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 69 G 7.90 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 4.67 0.00 2.49 2.35 0.00 3.87 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 2.13 2.01 0.00 71 Y 8.63 4.02 0.00 2.79 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 72 Y 6.79 5.09 0.00 3.19 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 73 S 8.80 4.84 0.00 3.20 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 74 S 8.58 4.96 0.00 3.80 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 75 R 8.55 4.14 0.00 1.79 1.90 0.00 3.38 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 76 D 9.27 4.54 0.00 2.89 2.80 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 77 N 7.79 4.67 0.00 2.73 2.52 0.00 0.00 6.99 7.33 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 78 Y 8.31 4.74 0.00 2.83 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 79 V 7.51 3.59 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 0.65 0.00 0.00 -0.06 0.00 0.00 80 S 8.59 4.38 0.00 3.99 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 P 0.00 3.81 0.00 1.88 1.22 0.00 3.94 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 82 G 7.07 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 83 P 0.00 4.74 0.00 2.19 2.36 0.00 3.71 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 2.07 2.03 0.00 84 D 7.93 5.36 0.00 2.62 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 0.00 0.00 0.00 85 R 8.67 4.88 0.00 1.20 1.49 0.00 3.35 0.00 0.00 2.84 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.51 0.00 86 V 8.45 4.69 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.93 0.00 0.00 87 I 8.36 4.91 1.25 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 -0.01 0.25 0.00 0.00 88 Y 8.33 5.22 0.00 3.22 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 89 Q 9.16 4.61 0.00 2.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 90 T 8.92 3.98 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 1.24 0.00 0.00 91 N 8.41 4.55 0.00 2.73 2.90 0.00 0.00 6.66 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 92 T 7.59 4.41 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 1.27 0.00 0.00 93 G 8.82 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 94 E 8.20 4.16 0.00 2.20 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 2.37 2.39 0.00 95 F 9.03 4.50 0.00 3.03 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 96 C 8.00 4.47 0.00 2.48 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 97 A 5.80 4.27 0.78 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 98 T 7.94 4.92 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 1.34 0.00 0.00 99 V 8.20 4.84 1.83 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 0.37 0.00 0.00 -0.17 0.00 0.00 100 T 8.70 5.09 4.30 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 1.38 0.00 0.00 101 H 9.49 4.87 0.00 3.27 3.28 0.00 5.68 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 T 7.93 3.98 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 1.29 0.00 0.00 103 G 9.04 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 0.00 104 A 7.58 4.23 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 0.00 105 A 8.48 4.17 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 0.00 106 S 7.59 4.64 0.00 4.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 8.48 4.17 0.00 2.89 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 0.00 108 D 7.99 3.88 0.00 2.41 2.44 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 0.00 109 G 7.84 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.12 5.65 0.00 2.98 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 0.00 111 T 8.93 4.80 4.30 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 1.35 0.00 0.00 112 Q 8.60 4.34 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 113 C 8.64 4.78 0.00 2.92 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 0.00 114 S 8.53 4.28 0.00 3.99 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