NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2217 8.1727 122.0522 56.3105 34.1709 173.7771 2 V 4.5782 8.1584 125.8772 60.9094 32.6295 174.5421 3 F 4.3731 9.8494 127.9164 56.9682 40.5905 174.6642 4 E 4.1438 8.8176 122.5959 55.6319 30.6785 176.6298 5 R 3.3895 9.0714 125.0925 60.7431 29.9117 179.3486 6 C 4.2792 8.0634 115.2803 59.8051 37.4049 175.6721 7 E 3.8559 8.1510 120.7218 59.1982 29.1655 178.4881 8 L 3.7030 8.0166 120.1837 57.5734 42.1105 178.5506 9 A 3.9426 7.9712 120.9737 55.4842 18.3901 179.9664 10 R 3.9457 8.2646 116.6281 59.4963 29.9294 179.5413 11 T 3.9203 7.8483 115.8378 66.5035 68.4109 176.8525 12 L 3.8608 8.0980 121.2840 57.3930 41.6188 179.3315 13 K 3.8717 8.0535 119.5202 59.8380 32.0061 179.1193 14 R 4.0246 7.8157 116.5616 58.6783 29.9234 177.9792 15 L 4.4727 7.2735 117.0206 53.8105 41.8573 176.5485 16 G 3.8632 7.9655 106.4297 47.1460 0.0000 175.5833 17 M 3.8480 8.0538 121.6006 56.8242 32.3885 175.9028 18 D 4.5635 8.0419 117.7532 55.7067 41.1155 175.8310 19 G 3.9489 9.1270 115.0077 45.5832 0.0000 171.5066 20 Y 4.1927 8.3500 122.1123 58.9120 38.9812 176.5135 21 R 3.6206 9.0534 126.9609 57.2071 27.8322 177.4827 22 G 3.9281 8.3605 104.8613 45.5619 0.0000 174.4392 23 I 3.8499 7.8801 122.8700 60.4698 37.8462 176.1203 24 S 4.7692 8.3646 120.4588 57.6607 65.2517 174.9088 25 L 4.2063 8.5382 124.2864 58.5193 41.8148 179.1511 26 A 4.2187 8.1533 120.1624 55.4252 18.4205 179.2423 27 N 4.6497 8.0213 114.8633 56.2618 38.6405 177.8075 28 W 4.2288 8.3008 120.5242 59.7683 29.0504 178.5591 29 M 4.1679 8.7232 119.2030 58.6975 31.5129 177.8051 30 C 3.3369 8.5526 118.9207 59.3205 41.4240 175.3799 31 L 3.9885 8.0739 121.3563 58.3022 41.7604 178.7509 32 A 4.1371 8.2369 120.6693 55.0082 18.1819 179.2917 33 K 2.8047 8.3144 118.3365 59.4154 32.0481 178.9910 34 W 4.1714 7.8509 117.1685 58.7801 29.1610 178.1827 35 E 4.4089 8.5096 119.0863 58.3630 29.3576 177.4990 36 S 4.5057 7.8315 109.0478 56.7027 64.9494 174.1897 37 G 3.6097 8.6858 108.8439 46.9203 0.0000 173.1027 38 Y 3.6020 7.6266 112.5692 58.8959 34.9779 169.0711 39 N 5.3356 7.7676 118.7827 51.8413 40.6345 175.3592 40 T 4.0228 8.8820 116.9522 64.2224 69.1329 176.1183 41 R 4.3000 8.1961 119.2503 56.3904 30.8267 176.4627 42 A 4.2683 7.5514 120.8766 52.9357 19.2639 176.8110 43 T 4.9931 8.3048 110.4853 60.1465 72.4319 173.0095 44 N 4.8989 8.6336 121.6932 52.5836 42.3856 172.2941 45 Y 4.7638 8.7697 127.6060 56.7976 41.0122 173.7393 46 N 4.6958 7.9227 124.4981 51.1890 39.3280 175.3272 47 A 4.0504 8.5431 128.0352 54.9772 18.9768 179.0192 48 G 3.7802 8.1863 104.2050 48.5468 0.0000 173.9984 49 D 4.6547 7.8247 116.3497 51.5107 40.3751 176.2346 50 R 3.7271 7.9042 117.0669 56.0706 27.7744 174.3903 51 S 4.8370 6.8393 111.7889 57.3953 67.8992 174.5167 52 T 5.0936 8.8519 115.9754 61.9091 71.9081 172.9157 53 D 5.3726 8.9166 125.6225 53.2223 43.1474 175.1440 54 Y 4.7201 9.4267 120.6554 57.2592 41.7939 177.4059 55 G 4.4706 8.9311 110.4045 45.6912 0.0000 174.0502 56 I 3.8343 8.4162 117.2505 63.0003 37.9788 177.6700 57 F 4.6468 7.9605 115.3402 56.4538 39.9383 175.1245 58 Q 3.6027 7.8418 119.0651 57.0256 26.4631 174.2401 59 I 4.3246 8.2565 119.1677 60.4952 38.7616 176.2842 60 N 5.2154 9.1122 123.3958 52.8902 39.7259 175.7636 61 S 4.4026 9.4172 119.6488 61.1746 63.2728 176.7610 62 R 4.0838 8.6484 117.7450 59.2194 29.1805 177.4771 63 Y 4.2640 8.1580 115.8589 59.4524 38.1595 174.2643 64 C 4.7688 8.1152 110.8401 54.3387 43.4548 173.0192 65 A 4.5809 8.3102 123.2026 50.6306 21.5055 176.3187 66 N 4.6626 8.1856 116.1994 52.4697 37.5322 176.3000 67 D 4.5682 7.5647 121.9011 53.8302 40.6604 173.1924 68 G 3.7625 7.9355 104.4121 43.8847 0.0000 172.6120 69 K 4.0039 8.2965 120.0863 57.7326 32.3518 177.8647 70 T 4.6334 7.7765 118.0144 62.2045 69.6379 171.1452 71 P 4.5479 0.0000 0.0000 61.4597 33.8518 176.3452 72 G 3.8593 8.2737 108.2781 45.0807 0.0000 172.4846 73 A 4.6769 8.1018 121.4633 50.3833 20.9583 176.5647 74 V 4.4027 7.6253 113.0971 60.0979 35.6317 175.7489 75 N 4.6413 7.9829 117.8544 52.4846 37.0134 174.2497 76 A 4.2599 7.7757 123.8788 51.6630 19.5154 178.7315 77 C 4.6756 8.8248 119.8579 57.3053 41.3346 174.1113 78 H 4.7567 8.2543 118.3521 53.1900 27.7388 172.9206 79 L 4.4800 7.3056 120.5284 54.7225 43.6493 175.6082 80 S 4.6716 8.1576 113.4294 56.7146 64.9799 175.6769 81 C 3.7868 8.6066 118.7775 60.3019 40.4584 176.7032 82 S 3.9096 8.0622 114.8317 61.4677 62.5210 176.1880 83 A 4.0100 7.7893 121.9792 54.4545 17.9882 177.9830 84 L 4.3765 8.0386 115.1081 55.4399 41.9792 177.8793 85 L 4.9306 7.7996 117.9945 54.5806 42.8298 176.9312 86 Q 4.2468 7.9143 117.3744 55.9226 29.2782 176.3822 87 D 4.4005 8.5818 119.8249 57.0482 41.1274 176.6077 88 N 4.6462 8.0365 118.1923 52.9119 39.1686 174.5772 89 I 4.2342 8.4337 119.1023 60.9697 38.0186 176.9006 90 A 3.9187 8.1242 124.4846 56.1175 18.1792 180.0857 91 D 4.2931 8.1031 116.2684 57.3873 40.8442 178.8555 92 A 4.0354 7.8231 120.8703 55.1150 18.5374 179.6185 93 V 3.3116 8.4437 116.9177 65.9000 31.6637 178.0491 94 A 3.8091 7.7991 120.3906 55.2174 18.2031 178.7762 95 C 4.1401 8.2483 116.6489 59.8835 44.9476 175.5233 96 A 3.9045 8.0549 122.4219 55.2258 17.5715 179.7578 97 K 3.7244 7.5647 116.1301 59.2739 32.2898 179.3238 98 R 4.0361 7.6889 118.6233 59.4090 30.0886 178.3378 99 V 3.1930 7.6689 118.0456 66.3441 31.5681 178.4213 100 V 3.7873 8.0962 111.1204 63.8720 31.1259 178.4618 101 R 4.1417 7.8639 117.1377 57.3859 30.4138 176.5491 102 D 4.5999 8.4616 120.1672 54.2797 41.4375 177.0782 103 P 4.0491 0.0000 0.0000 65.1447 31.7141 177.1726 104 Q 4.0238 8.2645 117.6535 56.5094 29.7568 176.9879 105 G 4.4789 8.3888 107.3192 46.2919 0.0000 174.1378 106 I 3.6500 7.8947 117.6477 63.7470 37.9606 178.8353 107 R 4.3211 7.3222 116.5932 57.9490 30.0923 177.4792 108 A 4.0566 7.9121 121.1265 54.2857 18.5067 177.7367 109 W 4.6877 8.1029 117.0955 55.5181 29.9243 177.7406 110 V 3.7429 8.6373 123.3942 65.4875 30.8858 177.7601 111 A 4.0295 8.2240 120.5706 54.8998 18.3686 179.1480 112 W 3.9835 8.1949 126.9522 60.6575 30.5865 178.3139 113 R 3.7075 8.1821 116.2193 59.3936 29.6641 178.3763 114 N 4.3479 8.0102 114.8147 55.7782 38.7394 177.0429 115 R 3.8273 7.7681 117.3813 56.2973 31.0306 176.3668 116 C 4.4589 7.7129 115.2384 57.9775 42.1081 174.1506 117 Q 3.2493 6.5652 118.1475 57.6394 28.5221 176.0933 118 N 4.1097 8.6061 119.6419 53.9245 36.4835 173.8883 119 R 4.3962 7.4816 117.1471 54.1036 32.2172 176.2533 120 D 4.5272 8.3230 118.7435 54.4878 39.8499 175.9523 121 V 4.5168 8.1445 119.1356 61.7305 32.7443 178.7160 122 R 4.0431 8.0677 118.0254 59.2465 28.5878 178.2767 123 Q 3.8634 7.7180 118.0147 59.7515 27.9447 178.8654 124 Y 4.3345 7.6789 117.1745 59.9189 38.3137 177.6123 125 V 4.3911 8.0027 111.7620 59.6797 32.6895 175.6156 126 Q 4.1513 7.1228 117.3830 57.5517 28.6395 176.8829 127 G 3.8951 8.8570 109.2672 46.4821 0.0000 174.4649 128 C 4.5131 8.1568 114.8472 55.9328 40.5680 173.7931 129 G 3.9369 7.9511 107.3288 46.8914 0.0000 174.2212 130 V 4.0044 7.8896 117.2901 61.0893 32.0050 176.0604 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 K 8.17 4.22 0.00 1.82 1.73 0.00 1.26 0.00 0.00 1.04 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.02 1.17 7.81 2 V 8.16 4.58 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 0.90 0.00 0.00 0.95 0.00 0.00 3 F 9.85 4.37 0.00 2.83 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 4 E 8.82 4.14 0.00 2.07 1.81 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 2.29 2.32 0.00 5 R 9.07 3.39 0.00 2.02 1.93 0.00 3.45 0.00 0.00 3.51 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.85 0.00 6 C 8.06 4.28 0.00 3.01 3.13 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 7 E 8.15 3.86 0.00 2.06 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.41 0.00 8 L 8.02 3.70 0.00 1.65 1.38 0.43 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.97 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 10 R 8.26 3.95 0.00 1.86 1.99 0.00 3.14 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 11 T 7.85 3.92 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 1.22 0.00 0.00 12 L 8.10 3.86 0.00 1.79 1.62 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.05 3.87 0.00 2.00 1.91 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.65 7.81 14 R 7.82 4.02 0.00 1.97 1.97 0.00 3.20 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 1.66 1.87 0.00 15 L 7.27 4.47 0.00 1.44 1.55 0.89 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.97 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 17 M 8.05 3.85 0.00 1.31 1.98 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.22 0.00 18 D 8.04 4.56 0.00 2.67 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 9.13 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 0.00 0.00 0.00 20 Y 8.35 4.19 0.00 3.32 3.14 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 0.00 0.00 0.00 0.00 21 R 9.05 3.62 0.00 1.75 1.86 0.00 3.38 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.30 0.00 22 G 8.36 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 23 I 7.88 3.85 1.62 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.07 -0.14 0.00 0.00 24 S 8.36 4.77 0.00 4.13 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 25 L 8.54 4.21 0.00 2.01 1.82 0.99 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.15 4.22 1.53 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 27 N 8.02 4.65 0.00 2.84 2.92 0.00 0.00 7.02 7.45 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 28 W 8.30 4.23 0.00 3.57 3.18 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 29 M 8.72 4.17 0.00 2.16 2.46 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.94 0.00 30 C 8.55 3.34 0.00 2.74 3.13 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 31 L 8.07 3.99 0.00 1.90 1.93 0.45 0.30 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 32 A 8.24 4.14 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 33 K 8.31 2.80 0.00 1.41 1.74 0.00 0.78 0.00 0.00 1.41 0.00 0.00 2.19 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.90 0.31 7.81 34 W 7.85 4.17 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 35 E 8.51 4.41 0.00 1.98 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 2.51 2.52 0.00 36 S 7.83 4.51 0.00 4.07 4.10 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 37 G 8.69 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.63 3.60 0.00 3.24 2.96 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 39 N 7.77 5.34 0.00 2.74 2.84 0.00 0.00 7.02 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 40 T 8.88 4.02 4.43 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 1.47 0.00 0.00 41 R 8.20 4.30 0.00 1.97 2.04 0.00 3.38 0.00 0.00 3.39 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 42 A 7.55 4.27 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.30 4.99 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 1.17 0.00 0.00 44 N 8.63 4.90 0.00 2.87 2.65 0.00 0.00 6.84 7.45 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 45 Y 8.77 4.76 0.00 3.05 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 46 N 7.92 4.70 0.00 2.52 2.57 0.00 0.00 6.60 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 47 A 8.54 4.05 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.19 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 49 D 7.82 4.65 0.00 2.71 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 50 R 7.90 3.73 0.00 2.00 2.08 0.00 3.12 0.00 0.00 3.17 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 51 S 6.84 4.84 0.00 3.85 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 52 T 8.85 5.09 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 0.73 0.00 0.00 53 D 8.92 5.37 0.00 2.61 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 54 Y 9.43 4.72 0.00 2.90 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 55 G 8.93 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 0.00 0.00 0.00 0.00 56 I 8.42 3.83 1.69 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 0.90 1.79 0.15 0.00 0.00 57 F 7.96 4.65 0.00 3.16 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 7.84 3.60 0.00 2.55 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.83 0.00 0.00 0.00 0.00 0.00 2.50 2.79 0.00 59 I 8.26 4.32 2.09 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.20 1.00 0.00 0.00 60 N 9.11 5.22 0.00 2.82 2.91 0.00 0.00 7.43 7.32 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 61 S 9.42 4.40 0.00 4.14 4.53 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 62 R 8.65 4.08 0.00 1.72 2.03 0.00 2.96 0.00 0.00 2.93 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.93 0.00 63 Y 8.16 4.26 0.00 3.35 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 C 8.12 4.77 0.00 3.01 3.14 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 0.00 0.00 0.00 0.00 65 A 8.31 4.58 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 66 N 8.19 4.66 0.00 2.69 2.76 0.00 0.00 6.82 8.47 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 67 D 7.56 4.57 0.00 2.66 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.94 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 69 K 8.30 4.00 0.00 1.76 1.67 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.46 7.81 70 T 7.78 4.63 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 1.20 0.00 0.00 71 P 0.00 4.55 0.00 2.00 1.99 0.00 3.65 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 2.05 2.06 0.00 72 G 8.27 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 73 A 8.10 4.68 1.19 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 74 V 7.63 4.40 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 0.38 0.00 0.00 0.39 0.00 0.00 75 N 7.98 4.64 0.00 3.41 2.92 0.00 0.00 7.16 7.84 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 76 A 7.78 4.26 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 77 C 8.82 4.68 0.00 3.02 3.06 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 78 H 8.25 4.76 0.00 3.11 3.23 0.00 5.93 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.31 4.48 0.00 1.68 1.61 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.16 4.67 0.00 3.97 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 81 C 8.61 3.79 0.00 2.59 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 S 8.06 3.91 0.00 3.86 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 83 A 7.79 4.01 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.04 4.38 0.00 1.90 1.82 0.97 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.80 4.93 0.00 1.89 1.76 1.25 1.43 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 86 Q 7.91 4.25 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.09 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 87 D 8.58 4.40 0.00 2.66 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 88 N 8.04 4.65 0.00 2.70 2.76 0.00 0.00 6.96 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 89 I 8.43 4.23 1.80 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.62 0.97 0.00 0.00 90 A 8.12 3.92 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 91 D 8.10 4.29 0.00 2.70 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 92 A 7.82 4.04 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 93 V 8.44 3.31 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.92 0.00 0.00 94 A 7.80 3.81 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 C 8.25 4.14 0.00 3.01 3.24 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 96 A 8.05 3.90 0.93 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 97 K 7.56 3.72 0.00 1.69 1.46 0.00 1.35 0.00 0.00 1.00 0.00 0.00 2.24 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.30 0.65 7.81 98 R 7.69 4.04 0.00 2.09 1.93 0.00 3.20 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.74 0.00 99 V 7.67 3.19 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 0.34 0.00 0.00 -0.04 0.00 0.00 100 V 8.10 3.79 2.38 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 1.26 0.00 0.00 1.41 0.00 0.00 101 R 7.86 4.14 0.00 2.09 2.04 0.00 3.29 0.00 0.00 3.67 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 102 D 8.46 4.60 0.00 2.88 2.63 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 0.00 103 P 0.00 4.05 0.00 2.06 2.05 0.00 3.68 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.16 0.00 104 Q 8.26 4.02 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.86 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 105 G 8.39 4.48 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 0.00 0.00 0.00 106 I 7.89 3.65 1.05 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.89 0.00 0.00 107 R 7.32 4.32 0.00 2.09 2.08 0.00 3.28 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.61 0.00 108 A 7.91 4.06 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.10 4.69 0.00 3.52 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 0.00 110 V 8.64 3.74 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.98 0.00 0.00 111 A 8.22 4.03 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 0.00 112 W 8.19 3.98 0.00 3.39 3.48 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 0.00 113 R 8.18 3.71 0.00 1.85 2.00 0.00 3.36 0.00 0.00 3.49 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.16 0.00 114 N 8.01 4.35 0.00 2.79 2.70 0.00 0.00 7.04 7.24 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 0.00 115 R 7.77 3.83 0.00 1.40 0.82 0.00 2.61 0.00 0.00 2.74 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 116 C 7.71 4.46 0.00 1.66 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 Q 6.57 3.25 0.00 0.93 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.44 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 118 N 8.61 4.11 0.00 2.80 2.83 0.00 0.00 6.98 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 R 7.48 4.40 0.00 1.85 1.81 0.00 2.98 0.00 0.00 3.00 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 120 D 8.32 4.53 0.00 2.63 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.14 4.52 2.24 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 0.95 0.00 0.00 1.11 0.00 0.00 122 R 8.07 4.04 0.00 2.07 2.24 0.00 3.00 0.00 0.00 3.41 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.69 0.00 123 Q 7.72 3.86 0.00 1.94 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.15 1.19 0.00 124 Y 7.68 4.33 0.00 3.29 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 0.00 125 V 8.00 4.39 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.11 0.00 0.00 126 Q 7.12 4.15 0.00 2.20 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.24 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 127 G 8.86 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 0.00 0.00 0.00 128 C 8.16 4.51 0.00 3.02 3.14 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 0.00 0.00 0.00 0.00 129 G 7.95 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 0.00 130 V 7.89 4.00 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 0.79 0.00 0.00 0.96 0.00 0.00