NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4517 8.3049 120.4004 55.8371 33.3104 177.2308 2 S 4.2167 8.3884 105.2632 55.2427 63.6622 173.8349 3 F 4.7068 6.4924 115.0196 55.5551 38.8122 176.5878 4 V 3.6178 7.3176 119.3437 64.3449 31.6681 173.9725 5 I 4.1436 7.3465 122.8814 62.1126 38.1216 176.8388 6 E 4.5073 7.7115 125.2509 54.3800 30.3962 177.9788 7 K 3.8895 8.8250 117.7161 58.9860 31.8696 179.2739 8 E 3.9186 9.1024 128.5961 59.3506 30.4682 178.0143 9 S 4.5867 8.1498 112.5062 59.3662 64.8899 175.5698 10 D 4.7808 9.2794 117.9417 53.8864 40.2948 174.9877 11 F 5.0783 8.1667 117.8059 56.7587 42.4191 174.1521 12 K 4.1314 6.4216 122.8473 54.1561 33.2401 175.6042 13 Y 3.9834 8.4894 122.0950 60.2741 38.0018 177.8570 14 I 4.8312 7.3666 117.3187 58.5382 40.2387 174.2276 15 H 4.9207 8.6522 121.2328 54.0027 32.1131 172.9165 16 R 4.7711 8.4290 121.0651 54.9586 31.4738 175.4349 17 I 4.4229 8.6793 125.9149 61.0484 41.8813 175.1756 18 L 3.7057 9.4051 119.4547 56.5752 39.7717 175.9638 19 N 4.2359 8.2552 127.4869 55.1729 38.0763 174.9411 20 T 4.2481 9.0433 110.1736 64.0528 69.0826 174.8928 21 N 4.6898 7.7808 121.4564 53.0816 37.7024 174.1014 22 I 4.6607 8.0245 123.5201 60.5863 38.4082 174.7213 23 D 5.0162 8.4846 124.2208 52.4976 44.0474 175.8535 24 G 3.7785 8.5992 110.8745 44.3209 0.0000 173.7207 25 K 4.3135 8.3190 123.9937 55.4216 31.4993 175.1453 26 R 4.6598 7.5239 125.6291 54.7653 37.6370 174.3905 27 I 4.8342 7.5231 115.5450 57.6075 42.8802 175.6224 28 T 3.7920 8.0521 115.0684 64.7021 68.2818 174.7338 29 P 4.2137 0.0000 0.0000 65.0748 31.7569 178.2137 30 I 3.8869 7.9019 117.5850 64.4505 36.9414 177.9267 31 A 4.0092 8.4602 121.9110 55.4770 18.0814 179.5622 32 L 3.9024 7.8873 116.7950 58.3242 41.4468 179.6214 33 T 4.3934 7.3088 116.3287 65.9639 68.4118 176.2032 34 G 3.8038 7.6907 106.7201 46.2500 0.0000 174.2181 35 I 4.6818 7.7281 123.0282 60.9726 37.8209 176.6929 36 R 4.7822 8.8452 125.7015 54.2251 27.3002 177.3146 37 G 5.0316 7.4866 121.4800 46.2192 0.0000 170.4929 38 I 4.7239 7.2250 120.6329 59.6846 39.3319 174.8012 39 G 4.1790 8.5476 110.5400 44.7904 0.0000 174.9230 40 R 3.2588 7.1258 114.3445 57.4736 31.3083 178.4872 41 R 4.0496 7.7251 117.3274 58.5583 30.5163 178.5339 42 F 4.6057 8.8326 121.0599 61.1333 39.4434 176.8442 43 A 3.9723 8.1911 120.2116 55.4928 18.0554 178.9240 44 Y 3.8998 7.6062 110.7051 61.1903 38.2023 178.7950 45 I 3.9188 7.7418 120.6988 64.5409 37.3256 178.0971 46 I 3.5848 7.6900 120.5147 65.0593 37.1126 178.2302 47 C 4.1090 7.9065 116.3446 62.5661 27.6040 176.2858 48 K 4.0691 7.8662 119.4848 58.7657 31.7190 179.3539 49 V 3.7777 7.6080 117.6379 65.7132 31.7137 177.0711 50 L 4.4120 7.6795 115.5690 53.4152 41.5459 176.4722 51 K 3.9443 7.8667 115.7066 57.0815 29.9465 174.8008 52 I 4.0380 7.2543 118.2157 60.5681 37.7539 175.8766 53 D 4.3973 8.4426 124.4131 53.9706 41.0780 174.4449 54 P 4.2542 0.0000 0.0000 65.1232 32.2102 177.8478 55 N 4.1721 8.1525 116.9957 55.4130 38.4213 175.6897 56 A 4.0855 7.4414 117.6998 51.8039 19.7594 178.4670 57 R 4.7690 8.5718 118.0961 55.9108 30.7676 175.1015 58 A 4.6229 8.7282 120.5289 51.9700 19.4781 177.5642 59 G 3.9029 9.2383 109.9982 45.3760 0.0000 173.6989 60 L 4.8583 7.5654 118.1043 54.7281 42.2368 176.3468 61 L 4.6519 7.6774 118.2874 52.1998 44.7189 177.4367 62 T 4.1567 8.3808 114.5303 61.5106 70.7591 174.6442 63 E 4.0185 8.7095 119.4286 59.3156 29.1548 179.1575 64 D 4.2907 8.0321 117.9341 57.5279 41.5718 178.1030 65 Q 3.9646 7.9555 118.0049 59.0460 28.7876 178.5638 66 C 4.2220 8.0798 117.8065 62.9553 28.2374 175.9242 67 N 4.3658 8.7551 118.4243 56.1207 37.8500 177.3491 68 K 3.9021 8.2559 120.1807 59.8089 32.1348 179.1063 69 I 3.7758 7.2529 118.4122 64.2867 37.0366 178.3745 70 T 3.8610 7.5111 115.5893 66.5112 68.7240 175.8303 71 D 4.5667 8.2650 120.4809 55.4728 39.8792 178.3303 72 L 3.8700 7.5109 121.8467 58.0347 41.7200 178.7517 73 I 3.9577 7.5621 118.3634 63.3554 37.3008 177.7382 74 A 4.2467 7.5912 120.9518 54.4582 19.7072 178.0396 75 D 4.7421 7.7262 115.4191 51.9110 42.4368 173.9205 76 P 4.9892 0.0000 0.0000 65.2573 31.6964 178.7923 77 E 4.4078 8.6751 118.6552 57.8122 29.6479 178.6796 78 A 3.9690 8.0620 121.4026 55.4225 18.4161 178.3988 79 H 4.4284 7.8776 111.3505 57.0615 30.9617 173.5596 80 G 3.8370 8.9988 109.1413 43.5155 0.0000 175.6963 81 I 3.0596 9.0596 126.4082 60.8282 35.4547 171.7827 82 P 4.2671 0.0000 0.0000 62.5513 31.9563 177.8909 83 T 3.8560 8.6797 119.5804 66.5500 68.5534 174.9000 84 W 4.7573 7.8880 116.3061 56.4922 28.1196 176.4806 85 L 4.3476 7.3495 116.3752 54.6640 42.2077 176.8029 86 L 5.1092 6.9337 117.0893 53.5347 42.5763 177.0081 87 N 4.4542 8.8783 118.7230 55.5940 38.8585 175.7921 88 R 4.6525 7.8467 117.3908 54.3594 32.3875 174.5500 89 I 4.8147 7.7903 124.3533 60.6379 40.1968 173.0416 90 N 4.2071 9.0759 127.0822 53.2980 35.7851 172.8063 91 D 4.8329 8.7224 122.0449 52.9338 43.4571 175.9372 92 F 3.7133 9.6670 117.0563 57.6076 36.8175 176.3796 93 K 3.8735 8.3853 118.6268 58.0105 30.8869 174.5307 94 D 4.3678 7.1873 114.9918 55.8262 43.8732 174.6315 95 G 3.7963 5.6253 114.4226 45.3089 0.0000 172.8716 96 K 3.7624 8.3025 124.5046 59.2231 31.8820 176.9281 97 N 5.4863 7.8666 118.7413 52.7511 43.7971 172.9949 98 Y 4.5899 7.9851 116.1518 57.7247 42.7034 175.1501 99 Q 4.4425 8.6405 117.2035 59.1373 29.1194 175.7919 100 M 3.7386 7.0682 115.2511 55.4577 28.7271 176.9967 101 A 4.3827 8.0839 126.1951 50.9331 19.8226 178.5222 102 S 4.7357 8.6746 113.5633 60.8434 62.6616 176.0979 103 N 5.2284 7.9256 118.5063 53.9791 39.0422 177.3563 104 T 3.8946 7.7989 116.8051 66.5304 68.7805 175.6585 105 L 3.9000 8.1717 122.4914 58.6152 41.8521 178.4987 106 D 4.4211 8.2093 117.8617 58.1921 40.7758 179.2621 107 T 3.9939 7.6141 114.1750 65.9940 68.4985 177.0813 108 K 3.8413 8.2062 120.8593 59.8646 31.9902 179.1495 109 M 4.0014 7.9107 118.1101 58.6107 32.1343 178.8785 110 R 3.8804 7.6061 118.0873 59.4421 30.0959 178.7394 111 E 4.1918 8.2676 118.0571 58.9302 29.6171 178.7157 112 D 4.3988 7.9899 119.1218 57.2286 40.9073 178.7717 113 L 4.0277 8.2474 119.7249 57.4185 41.4469 179.1202 114 E 3.9503 7.7698 118.5848 59.0375 29.7332 178.5772 115 R 3.8987 8.1894 119.3016 59.3582 30.0077 178.2413 116 L 4.2898 8.0662 118.2990 56.8649 41.7170 179.0596 117 K 3.8168 8.3472 118.3290 59.5856 32.0702 179.1025 118 K 4.1155 7.6646 117.2449 59.2984 32.1065 179.1394 119 I 3.7783 6.9230 117.8974 63.5133 37.3938 177.5157 120 K 3.8767 8.8381 116.8566 57.8890 29.2905 177.3707 121 S 4.4697 7.8469 112.5565 58.1144 65.4734 172.7374 122 H 4.4449 8.7871 121.5451 59.7867 29.3590 177.0699 123 R 3.9703 8.1378 119.4042 59.5555 29.9343 178.4234 124 G 3.7545 7.9434 104.7665 47.8101 0.0000 175.2221 125 L 4.1543 8.9763 124.9558 57.7201 41.9667 178.8234 126 R 3.8774 8.5573 118.7885 60.0751 29.7285 177.8265 127 H 4.1359 7.7977 114.4305 59.7038 28.8580 176.6745 128 F 3.9749 8.6813 119.7917 61.3738 39.0435 176.2131 129 W 4.6129 8.9282 120.3679 57.8326 30.5924 176.6566 130 G 3.9952 10.1115 106.1877 45.3416 0.0000 172.0500 131 L 4.5442 7.3935 118.6831 53.3371 46.2017 175.8448 132 K 3.8850 8.5258 121.7457 57.2814 32.7681 176.3939 133 V 4.0610 8.2227 119.6979 64.7716 32.8561 177.4452 134 R 4.1203 7.9747 115.7492 58.7773 30.0323 178.4256 135 G 3.6539 8.5316 106.7860 47.2481 0.0000 176.5217 136 Q 2.6350 8.4557 113.3667 58.6487 31.2478 175.0361 137 H 4.0863 8.3444 120.4312 55.8881 28.6551 175.4618 138 T 4.4323 8.2527 120.3572 63.5604 69.7495 175.9086 139 K 4.0048 7.9500 120.6565 59.4001 32.4655 177.8831 140 T 4.1821 7.7561 114.2242 65.4945 69.4409 175.4412 141 S 3.8924 8.6201 114.3144 58.1408 63.2474 176.1998 142 G 3.7700 7.0099 110.3023 46.3559 0.0000 174.6432 143 R 4.4553 7.9172 123.2624 55.5164 32.6994 175.4409 144 H 3.8344 8.1198 113.0844 61.5477 25.5648 178.0126 145 G 3.7813 7.7734 100.5845 47.2828 0.0000 175.8553 146 V 3.8715 7.3744 129.2715 62.5473 33.3460 175.2463 147 V 3.7839 8.2757 119.9873 63.1977 32.3260 177.1884 148 C 4.7587 8.2964 133.8395 58.9025 30.6415 175.4254 149 G 3.8987 8.6261 107.0268 43.6788 0.0000 170.0407 150 V 3.1085 8.3543 123.2570 62.5802 30.7725 171.7130 151 V 4.4336 8.2877 125.9032 60.8773 33.6677 174.7138 152 R 4.6291 8.3475 125.1843 54.0014 32.7396 175.4798 153 K 4.2619 8.5164 123.6333 56.5877 33.1339 176.2886 154 N 4.4897 8.3751 120.5250 53.9170 39.4706 174.4619 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 M 8.30 4.45 0.00 2.38 1.90 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.57 0.00 2 S 8.39 4.22 0.00 3.83 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 F 6.49 4.71 0.00 3.10 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 4 V 7.32 3.62 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 0.86 0.00 0.00 0.73 0.00 0.00 5 I 7.35 4.14 1.92 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 1.39 0.81 0.95 0.00 0.00 6 E 7.71 4.51 0.00 2.18 1.93 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 2.37 2.40 0.00 7 K 8.82 3.89 0.00 1.85 1.46 0.00 1.73 0.00 0.00 1.86 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.57 1.55 7.81 8 E 9.10 3.92 0.00 1.93 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 2.30 2.42 0.00 9 S 8.15 4.59 0.00 4.00 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 10 D 9.28 4.78 0.00 2.63 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 11 F 8.17 5.08 0.00 2.94 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 6.42 4.13 0.00 1.48 1.39 0.00 1.82 0.00 0.00 1.59 0.00 0.00 2.76 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.23 1.27 7.81 13 Y 8.49 3.98 0.00 2.74 3.04 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 0.00 14 I 7.37 4.83 1.87 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.23 0.90 0.00 0.00 15 H 8.65 4.92 0.00 3.17 3.16 0.00 5.59 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.43 4.77 0.00 1.77 1.80 0.00 3.23 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.69 0.00 17 I 8.68 4.42 1.86 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 1.22 0.63 0.89 0.00 0.00 18 L 9.41 3.71 0.00 1.71 1.85 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 19 N 8.26 4.24 0.00 2.84 2.26 0.00 0.00 7.33 7.70 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 20 T 9.04 4.25 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 21 N 7.78 4.69 0.00 2.88 2.78 0.00 0.00 6.98 7.35 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 22 I 8.02 4.66 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.70 0.92 0.00 0.00 23 D 8.48 5.02 0.00 2.57 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 24 G 8.60 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 25 K 8.32 4.31 0.00 1.84 1.59 0.00 1.64 0.00 0.00 1.98 0.00 0.00 2.53 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.25 1.31 7.81 26 R 7.52 4.66 0.00 1.97 1.87 0.00 2.96 0.00 0.00 3.33 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 27 I 7.52 4.83 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.64 0.98 0.00 0.00 28 T 8.05 3.79 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 1.20 0.00 0.00 29 P 0.00 4.21 0.00 2.22 2.17 0.00 3.64 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.92 0.00 30 I 7.90 3.89 2.04 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 1.66 0.91 0.94 0.00 0.00 31 A 8.46 4.01 1.46 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 0.00 0.00 32 L 7.89 3.90 0.00 1.98 1.71 0.92 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.31 4.39 4.35 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 1.24 0.00 0.00 34 G 7.69 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.73 4.68 1.91 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 1.30 1.20 0.91 0.00 0.00 36 R 8.85 4.78 0.00 1.89 1.91 0.00 3.36 0.00 0.00 3.35 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 37 G 7.49 5.03 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 0.00 0.00 0.00 38 I 7.22 4.72 1.88 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.20 0.90 0.00 0.00 39 G 8.55 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 0.00 0.00 0.00 0.00 40 R 7.13 3.26 0.00 1.86 1.82 0.00 3.27 0.00 0.00 3.26 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.60 0.00 41 R 7.73 4.05 0.00 1.82 1.92 0.00 3.18 0.00 0.00 3.27 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 42 F 8.83 4.61 0.00 3.01 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 43 A 8.19 3.97 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 44 Y 7.61 3.90 0.00 3.16 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 45 I 7.74 3.92 2.43 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.06 1.04 0.00 0.00 46 I 7.69 3.58 1.99 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.51 0.78 0.00 0.00 47 C 7.91 4.11 0.00 2.86 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 48 K 7.87 4.07 0.00 1.92 1.87 0.00 1.74 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.44 7.81 49 V 7.61 3.78 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 0.84 0.00 0.00 0.97 0.00 0.00 50 L 7.68 4.41 0.00 1.61 1.62 0.81 0.84 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 51 K 7.87 3.94 0.00 1.81 1.81 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.60 7.81 52 I 7.25 4.04 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.54 0.86 0.00 0.00 53 D 8.44 4.40 0.00 2.61 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 54 P 0.00 4.25 0.00 1.83 1.93 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.83 0.00 55 N 8.15 4.17 0.00 2.69 2.94 0.00 0.00 6.85 7.35 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 56 A 7.44 4.09 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 R 8.57 4.77 0.00 1.53 1.79 0.00 3.25 0.00 0.00 4.01 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.21 0.00 58 A 8.73 4.62 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 9.24 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 60 L 7.57 4.86 0.00 1.64 1.70 0.74 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.68 4.65 0.00 1.50 1.50 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 62 T 8.38 4.16 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 1.23 0.00 0.00 63 E 8.71 4.02 0.00 2.03 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 2.40 2.37 0.00 64 D 8.03 4.29 0.00 2.71 2.66 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 0.00 0.00 0.00 0.00 65 Q 7.96 3.96 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 66 C 8.08 4.22 0.00 3.05 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 67 N 8.76 4.37 0.00 2.67 2.86 0.00 0.00 7.04 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 68 K 8.26 3.90 0.00 1.95 1.84 0.00 1.65 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.72 1.64 7.81 69 I 7.25 3.78 2.00 0.00 0.00 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 1.42 1.01 0.82 0.00 0.00 70 T 7.51 3.86 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 71 D 8.27 4.57 0.00 2.99 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 72 L 7.51 3.87 0.00 1.90 1.71 0.76 0.83 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 73 I 7.56 3.96 2.02 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 1.34 0.79 0.95 0.00 0.00 74 A 7.59 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 75 D 7.73 4.74 0.00 2.64 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.99 0.00 2.30 2.50 0.00 3.90 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.03 0.00 77 E 8.68 4.41 0.00 1.99 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 2.36 2.28 0.00 78 A 8.06 3.97 1.26 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 0.00 0.00 0.00 79 H 7.88 4.43 0.00 3.19 3.37 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 9.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 9.06 3.06 1.87 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 1.44 0.50 0.85 0.00 0.00 82 P 0.00 4.27 0.00 1.19 2.01 0.00 3.23 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.07 0.00 83 T 8.68 3.86 4.33 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 1.24 0.00 0.00 84 W 7.89 4.76 0.00 3.55 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 85 L 7.35 4.35 0.00 1.15 1.18 0.38 0.24 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 86 L 6.93 5.11 0.00 1.69 1.78 1.02 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 87 N 8.88 4.45 0.00 2.76 2.90 0.00 0.00 6.71 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 88 R 7.85 4.65 0.00 1.88 1.84 0.00 3.19 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 89 I 7.79 4.81 1.90 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 1.45 0.78 0.94 0.00 0.00 90 N 9.08 4.21 0.00 2.82 2.82 0.00 0.00 6.87 7.61 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 91 D 8.72 4.83 0.00 2.58 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 92 F 9.67 3.71 0.00 3.24 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 93 K 8.39 3.87 0.00 1.95 2.03 0.00 1.62 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.48 7.81 94 D 7.19 4.37 0.00 2.80 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 95 G 5.63 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.30 3.76 0.00 1.62 1.64 0.00 1.56 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.60 7.81 97 N 7.87 5.49 0.00 2.55 2.67 0.00 0.00 6.67 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 98 Y 7.99 4.59 0.00 2.85 2.90 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 99 Q 8.64 4.44 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.54 0.00 0.00 0.00 0.00 0.00 2.62 2.67 0.00 100 M 7.07 3.74 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.57 0.00 101 A 8.08 4.38 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 0.00 102 S 8.67 4.74 0.00 4.00 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 0.00 103 N 7.93 5.23 0.00 2.76 2.89 0.00 0.00 7.62 7.05 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 0.00 104 T 7.80 3.89 4.36 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 1.23 0.00 0.00 105 L 8.17 3.90 0.00 1.76 1.88 0.94 1.35 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 0.00 106 D 8.21 4.42 0.00 2.85 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 0.00 107 T 7.61 3.99 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 1.19 0.00 0.00 108 K 8.21 3.84 0.00 1.91 1.83 0.00 1.51 0.00 0.00 1.54 0.00 0.00 2.79 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.56 1.58 7.81 109 M 7.91 4.00 0.00 2.05 2.22 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.97 0.00 110 R 7.61 3.88 0.00 1.99 2.00 0.00 3.16 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 111 E 8.27 4.19 0.00 2.17 1.96 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 2.29 2.61 0.00 112 D 7.99 4.40 0.00 2.70 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 0.00 113 L 8.25 4.03 0.00 1.68 1.72 0.83 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 114 E 7.77 3.95 0.00 2.30 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 2.30 2.35 0.00 115 R 8.19 3.90 0.00 2.06 2.18 0.00 3.18 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 116 L 8.07 4.29 0.00 1.89 1.73 0.95 0.80 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 0.00 117 K 8.35 3.82 0.00 1.86 1.88 0.00 1.80 0.00 0.00 1.91 0.00 0.00 3.44 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.67 1.83 7.81 118 K 7.66 4.12 0.00 1.69 1.85 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.46 1.71 7.81 119 I 6.92 3.78 2.03 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 1.53 0.67 0.96 0.00 0.00 120 K 8.84 3.88 0.00 1.89 1.99 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.27 1.60 7.81 121 S 7.85 4.47 0.00 4.09 4.02 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 0.00 122 H 8.79 4.44 0.00 3.27 3.37 0.00 5.89 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 0.00 123 R 8.14 3.97 0.00 1.84 2.00 0.00 3.45 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 124 G 7.94 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 0.00 0.00 0.00 125 L 8.98 4.15 0.00 2.01 1.94 0.98 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.56 3.88 0.00 1.93 2.02 0.00 3.07 0.00 0.00 3.00 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.88 0.00 127 H 7.80 4.14 0.00 3.41 3.43 0.00 5.73 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 F 8.68 3.97 0.00 3.03 3.27 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 0.00 0.00 0.00 129 W 8.93 4.61 0.00 3.41 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 0.00 130 G 10.11 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 L 7.39 4.54 0.00 1.58 1.51 0.83 1.00 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 0.00 132 K 8.53 3.89 0.00 1.73 1.78 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.46 7.81 133 V 8.22 4.06 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 0.83 0.00 0.00 0.84 0.00 0.00 134 R 7.97 4.12 0.00 2.04 2.17 0.00 3.06 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 135 G 8.53 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 Q 8.46 2.63 0.00 2.20 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.80 0.00 0.00 0.00 0.00 0.00 2.57 2.39 0.00 137 H 8.34 4.09 0.00 3.09 3.33 0.00 5.82 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 T 8.25 4.43 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 1.19 0.00 0.00 139 K 7.95 4.00 0.00 1.75 1.85 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.46 7.81 140 T 7.76 4.18 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 141 S 8.62 3.89 0.00 3.85 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 0.00 142 G 7.01 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 0.00 143 R 7.92 4.46 0.00 1.73 1.68 0.00 3.30 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.98 0.00 144 H 8.12 3.83 0.00 3.33 3.39 0.00 5.73 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 G 7.77 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 0.00 146 V 7.37 3.87 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 0.80 0.00 0.00 0.95 0.00 0.00 147 V 8.28 3.78 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 0.83 0.00 0.00 0.94 0.00 0.00 148 C 8.30 4.76 0.00 2.98 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 0.00 0.00 0.00 0.00 149 G 8.63 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 0.00 150 V 8.35 3.11 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 0.77 0.00 0.00 0.95 0.00 0.00 151 V 8.29 4.43 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 0.91 0.00 0.00 0.94 0.00 0.00 152 R 8.35 4.63 0.00 1.80 1.79 0.00 3.26 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 153 K 8.52 4.26 0.00 1.72 1.71 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.46 7.81 154 N 8.38 4.49 0.00 2.71 2.63 0.00 0.00 6.81 7.56 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