NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5681 8.3049 118.1949 55.3189 33.5160 175.6687 2 K 4.4135 7.9497 117.9804 56.2174 31.8232 176.3708 3 T 4.2240 8.0002 123.5561 62.7120 74.2545 172.1418 4 F 4.4972 7.3263 116.4174 56.9652 37.0515 178.2446 5 T 4.1688 9.1670 106.7588 61.5376 69.1879 172.2290 6 A 4.5556 8.7597 131.6460 50.8040 17.9677 177.5649 7 K 4.5523 7.9051 126.3957 54.8831 32.3345 176.5634 8 P 3.7771 0.0000 0.0000 67.3232 31.2930 175.7230 9 E 4.3514 7.6329 121.6236 53.5227 32.4547 177.1503 10 T 3.7164 7.9369 106.8865 63.2041 68.6727 172.4187 11 V 5.0742 7.0480 132.4990 62.6791 33.8703 173.1976 12 K 4.3964 7.8926 121.2440 56.6953 29.3948 176.7527 13 R 4.3516 7.6239 120.0341 56.2138 30.8255 175.3858 14 D 4.6352 8.4498 118.0575 52.9403 45.2155 176.1719 15 W 5.2598 8.2206 114.5745 56.5205 31.8174 174.6489 16 Y 4.3980 8.1824 116.8065 58.7952 38.5057 175.9152 17 V 4.7683 8.1706 120.5340 60.6797 31.5040 173.2430 18 V 3.5324 8.4333 121.9020 63.1032 31.8473 175.8020 19 D 4.2526 9.2628 128.3538 56.0398 41.3240 178.3222 20 A 4.1277 8.3698 117.1182 52.2684 16.3923 178.2868 21 T 4.1986 8.0654 104.1871 63.7089 69.3467 174.6962 22 G 3.8080 7.9135 112.7599 45.1518 0.0000 175.2243 23 K 4.0418 8.8666 123.0411 58.2215 32.5502 178.0112 24 T 4.2694 7.8052 112.2548 59.9778 67.1689 173.2357 25 L 5.2462 7.4243 129.3856 55.1754 45.7363 179.8246 26 G 3.9364 8.5841 111.6604 46.6345 0.0000 176.7404 27 R 4.0117 9.1745 124.6541 59.2709 28.3853 177.0737 28 L 3.9061 8.1728 120.0785 58.1796 41.7193 178.6119 29 A 4.0556 8.3875 121.2489 55.3402 17.9879 179.3241 30 T 3.7861 7.8709 108.2565 65.2103 68.4759 175.8054 31 E 3.9460 7.7809 120.8814 58.9520 29.4319 178.7527 32 L 3.9378 7.8565 116.7572 57.6609 41.9269 179.0954 33 A 4.0899 8.0906 120.6578 55.2717 18.3656 179.8043 34 R 3.7606 8.9344 117.4759 59.4717 30.2382 178.9996 35 R 3.8758 8.0917 116.0455 57.8044 30.4891 177.1080 36 L 4.9120 7.7945 117.2542 56.6791 42.0066 178.7176 37 R 3.8860 7.6753 115.6675 56.1265 30.7937 175.8676 38 G 3.2979 7.6342 106.3814 45.9536 0.0000 173.0794 39 K 4.0269 7.3240 124.7722 58.7599 33.2946 177.3098 40 H 3.9752 8.1997 119.9116 57.4365 29.9084 173.1343 41 K 3.5887 8.0011 122.0611 56.2747 29.7613 174.2634 42 A 4.1524 8.4755 128.3643 53.2380 19.0012 177.1110 43 E 5.2473 7.9576 119.7097 56.5200 30.7867 176.2056 44 Y 4.4177 8.0168 119.6593 59.1520 38.9952 174.7372 45 T 4.2953 8.4324 110.5145 62.5165 72.0482 172.6892 46 P 4.3697 0.0000 0.0000 65.2992 31.7454 176.4556 47 H 4.5731 8.0771 116.3876 57.4450 30.5380 175.4895 48 V 3.5632 7.2196 118.2034 61.5681 31.9182 175.1421 49 D 4.4721 7.9412 124.4634 53.1665 40.2433 175.9812 50 T 3.2993 8.6828 114.7220 64.6175 65.8464 172.1653 51 G 4.0534 8.3060 114.3883 44.6465 0.0000 171.2465 52 D 4.0076 6.8896 117.8267 55.7615 37.6509 172.2819 53 Y 4.1412 5.5892 113.7218 54.5868 38.7663 176.2250 54 I 4.9204 8.5606 125.0492 59.7755 41.8705 175.4431 55 I 5.1372 8.1423 122.4491 58.9786 40.6353 174.6950 56 V 5.0296 7.9651 128.1905 61.3385 31.8525 175.6562 57 L 4.0110 8.2157 129.7928 55.6925 43.4864 175.4281 58 N 4.2598 10.2187 117.8250 49.5609 37.6480 176.7521 59 A 3.9893 8.6479 127.8101 54.0555 18.4122 180.2638 60 D 4.6971 9.2159 111.7701 53.5509 38.8290 175.5993 61 K 4.7336 8.2580 121.2814 55.6952 34.7460 175.8701 62 V 4.4483 8.0474 117.9511 60.1735 35.5665 174.2568 63 A 3.9410 8.7032 127.1652 53.0181 18.6549 178.9278 64 V 3.4177 7.7184 115.2916 62.1871 31.9026 172.5088 65 T 4.2646 8.1945 109.2691 61.6586 68.5493 174.2864 66 G 3.7549 8.6552 107.8475 48.1594 0.0000 173.7965 67 N 4.7060 7.7172 114.1914 54.1362 42.7709 175.3483 68 K 4.2621 8.6067 116.4442 58.5732 32.3502 177.8918 69 R 4.8910 7.8705 120.0486 58.2387 30.2903 177.6400 70 T 4.5181 8.0450 112.4170 63.5597 70.1769 174.1037 71 D 4.9586 7.9022 120.8225 54.1702 41.5718 176.4215 72 K 4.6003 7.9153 121.6256 54.1310 32.9227 175.5389 73 V 4.7027 8.0010 124.9447 61.3068 32.2940 175.2575 74 Y 4.1049 7.7792 115.6359 58.8122 40.4365 172.6723 75 Y 4.6866 7.8810 121.9139 57.6500 38.3656 168.7620 76 H 4.5500 8.5807 117.6889 56.2691 32.5698 170.2968 77 H 3.9497 8.6065 124.6706 55.5905 29.6556 175.6091 78 T 4.4149 8.2097 121.4057 61.4598 68.1416 175.2020 79 G 3.8173 8.9283 105.4715 47.2000 0.0000 173.2440 80 H 4.3565 8.3475 119.9976 54.5995 27.9135 175.2065 81 I 2.8875 8.3804 120.3187 61.6351 38.0126 175.5605 82 G 4.2048 9.6534 105.3959 46.1434 0.0000 172.8782 83 G 4.0267 8.2726 104.1306 45.9408 0.0000 176.0052 84 I 3.6359 7.7818 113.8469 59.0506 38.2393 175.4558 85 K 3.6732 7.7580 129.3741 55.9423 30.1784 173.6075 86 Q 4.4100 8.1406 121.4588 55.4923 30.2427 174.8897 87 A 5.0419 8.4588 123.4120 50.5555 22.4210 175.3310 88 T 4.0238 7.7416 116.6946 61.9981 73.1976 174.1305 89 F 5.0584 7.6251 124.3279 56.2971 40.8667 176.6112 90 E 4.0096 8.5920 122.2008 59.5626 29.4138 178.6562 91 E 4.1548 7.9503 116.3026 58.9716 29.5843 177.0658 92 M 4.6054 7.5038 118.0175 55.8445 32.8895 177.1001 93 I 4.3351 7.4866 117.8399 59.8727 36.4866 175.3687 94 A 4.6312 7.6917 122.2290 52.2628 21.3458 178.3779 95 R 4.1931 7.9446 113.8822 58.6251 31.3165 177.4838 96 R 4.9357 7.3869 116.1489 54.6257 30.7689 173.0546 97 P 4.3035 0.0000 0.0000 65.3320 32.8728 178.9628 98 E 3.8056 8.4936 117.6117 59.6207 29.7452 178.7337 99 R 3.8235 7.8252 118.5093 59.4412 30.0998 176.9369 100 V 3.9729 6.7661 115.0947 62.7859 32.0447 175.6310 101 I 3.7509 8.7066 124.2745 62.8502 35.3872 176.3715 102 E 4.1234 7.4930 117.6777 59.3091 28.6710 179.6897 103 I 3.7946 7.7508 119.5445 64.2067 37.0115 178.0799 104 A 4.0706 8.0163 120.1166 55.3128 18.2433 179.3444 105 V 3.7177 8.6346 117.8908 64.1466 30.9985 176.5316 106 K 4.4221 7.4000 118.7781 56.6216 33.0575 175.9724 107 G 4.3489 8.8222 111.8316 46.4659 0.0000 175.1541 108 M 4.4819 7.4385 116.0131 55.2849 31.6176 175.9185 109 L 4.6781 7.4103 120.5049 53.0768 42.6662 175.5582 110 P 3.9968 0.0000 0.0000 63.6865 31.3004 173.1326 111 K 3.7057 8.0831 124.5217 57.8732 31.5673 174.8121 112 G 3.7671 8.7317 111.2313 43.4237 0.0000 170.4247 113 P 4.1006 0.0000 0.0000 65.9962 31.3868 177.3571 114 L 3.9919 7.8896 118.9623 58.3641 42.1578 179.4627 115 G 3.7290 8.0865 107.1055 48.2234 0.0000 175.1827 116 R 3.8938 7.8714 119.3494 58.4641 30.1765 176.5189 117 A 4.7577 8.0308 120.1614 52.2700 19.3514 177.1071 118 M 4.4423 7.5507 120.8930 58.0991 34.3177 177.0925 119 F 4.1921 8.3709 120.6154 61.1399 39.6830 176.6973 120 R 4.0006 8.3136 118.7864 58.8753 29.9673 175.8423 121 K 4.5754 7.6746 117.0148 57.3816 32.9381 178.0849 122 L 4.1138 7.5946 117.1999 56.0566 43.6027 173.4223 123 K 3.6589 7.8034 128.6973 55.3524 30.2837 176.7629 124 V 3.8891 8.2062 116.4570 60.8039 30.8408 173.1461 125 Y 3.6916 8.5965 130.5121 58.1781 37.9580 169.8595 126 A 5.2987 8.3986 130.2566 51.1962 20.0694 176.5630 127 G 4.0577 8.3680 103.6709 47.8630 0.0000 174.3947 128 N 4.2652 8.0848 117.0662 52.4723 38.8273 176.2258 129 E 4.0984 7.9233 111.7347 57.1075 27.4443 175.4782 130 H 4.6916 7.7143 117.2873 55.1164 33.4300 173.3934 131 N 4.1028 8.5797 117.3327 54.7440 36.0892 175.4392 132 H 4.2342 8.0189 115.8284 57.0674 29.9397 176.0961 133 A 3.9473 8.0885 122.4496 55.3580 18.2295 179.1880 134 A 4.1230 7.2018 117.6918 55.2107 18.7442 177.0369 135 Q 4.8676 7.7057 114.0003 55.3317 31.9378 174.1535 136 Q 4.0614 8.5454 120.7301 58.7830 28.7687 175.1205 137 P 3.8418 0.0000 0.0000 64.9315 31.8391 175.4552 138 Q 4.4554 7.3551 119.4110 54.5518 32.1514 176.3262 139 V 4.9391 7.0765 111.4789 62.6662 34.6925 174.6823 140 L 4.0035 8.3665 123.6086 56.8787 41.8300 175.0465 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 4.57 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.67 0.00 2 K 7.95 4.41 0.00 1.78 1.24 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.50 7.81 3 T 8.00 4.22 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 0.08 0.00 0.00 4 F 7.33 4.50 0.00 3.15 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 0.00 0.00 0.00 0.00 5 T 9.17 4.17 4.31 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 1.30 0.00 0.00 6 A 8.76 4.56 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 7 K 7.91 4.55 0.00 1.64 1.78 0.00 1.63 0.00 0.00 1.79 0.00 0.00 3.13 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.27 1.35 7.81 8 P 0.00 3.78 0.00 2.11 1.97 0.00 3.58 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.91 0.00 9 E 7.63 4.35 0.00 1.83 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 10 T 7.94 3.72 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 1.05 0.00 0.00 11 V 7.05 5.07 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 0.65 0.00 0.00 0.95 0.00 0.00 12 K 7.89 4.40 0.00 1.84 1.89 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.50 1.47 7.81 13 R 7.62 4.35 0.00 1.51 1.65 0.00 3.02 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.89 0.00 14 D 8.45 4.64 0.00 3.03 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 15 W 8.22 5.26 0.00 3.29 3.30 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 16 Y 8.18 4.40 0.00 3.02 2.99 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 17 V 8.17 4.77 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.11 0.00 0.00 18 V 8.43 3.53 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 0.78 0.00 0.00 0.96 0.00 0.00 19 D 9.26 4.25 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 20 A 8.37 4.13 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 21 T 8.07 4.20 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 1.35 0.00 0.00 22 G 7.91 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 23 K 8.87 4.04 0.00 1.76 1.89 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.45 7.81 24 T 7.81 4.27 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 25 L 7.42 5.25 0.00 1.74 1.70 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.58 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 27 R 9.17 4.01 0.00 2.01 2.24 0.00 3.16 0.00 0.00 3.27 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 28 L 8.17 3.91 0.00 1.70 1.75 0.94 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.39 4.06 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 30 T 7.87 3.79 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 1.25 0.00 0.00 31 E 7.78 3.95 0.00 2.19 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 2.28 2.35 0.00 32 L 7.86 3.94 0.00 1.82 1.69 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.09 4.09 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 34 R 8.93 3.76 0.00 1.77 1.93 0.00 3.25 0.00 0.00 3.05 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 35 R 8.09 3.88 0.00 1.78 1.77 0.00 3.14 0.00 0.00 2.99 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.31 0.00 36 L 7.79 4.91 0.00 1.92 1.59 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.68 3.89 0.00 1.68 1.89 0.00 3.37 0.00 0.00 3.24 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 38 G 7.63 3.30 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 0.00 39 K 7.32 4.03 0.00 1.67 1.70 0.00 1.79 0.00 0.00 1.60 0.00 0.00 2.71 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.40 7.81 40 H 8.20 3.98 0.00 3.08 3.32 0.00 5.95 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 41 K 8.00 3.59 0.00 2.08 1.81 0.00 2.02 0.00 0.00 2.06 0.00 0.00 3.19 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.69 7.81 42 A 8.48 4.15 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 43 E 7.96 5.25 0.00 2.16 2.19 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 2.15 2.12 0.00 44 Y 8.02 4.42 0.00 2.93 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 45 T 8.43 4.30 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 1.30 0.00 0.00 46 P 0.00 4.37 0.00 2.09 2.21 0.00 3.74 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 2.09 2.17 0.00 47 H 8.08 4.57 0.00 3.06 3.33 0.00 5.92 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.22 3.56 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 0.55 0.00 0.00 0.65 0.00 0.00 49 D 7.94 4.47 0.00 2.81 2.68 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 50 T 8.68 3.30 4.61 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 1.19 0.00 0.00 51 G 8.31 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 D 6.89 4.01 0.00 2.79 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 5.59 4.14 0.00 3.05 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 54 I 8.56 4.92 1.95 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.76 0.93 0.00 0.00 55 I 8.14 5.14 2.08 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 1.21 1.96 1.03 0.00 0.00 56 V 7.97 5.03 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 0.88 0.00 0.00 0.95 0.00 0.00 57 L 8.22 4.01 0.00 1.72 1.56 0.82 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 58 N 10.22 4.26 0.00 3.05 2.70 0.00 0.00 7.52 7.97 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 59 A 8.65 3.99 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 D 9.22 4.70 0.00 2.85 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 61 K 8.26 4.73 0.00 1.67 1.69 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.56 7.81 62 V 8.05 4.45 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 0.70 0.00 0.00 0.96 0.00 0.00 63 A 8.70 3.94 1.29 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 0.00 0.00 64 V 7.72 3.42 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 0.92 0.00 0.00 1.10 0.00 0.00 65 T 8.19 4.26 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 66 G 8.66 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 67 N 7.72 4.71 0.00 2.76 2.72 0.00 0.00 7.24 7.06 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 68 K 8.61 4.26 0.00 1.75 1.87 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.73 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.52 7.81 69 R 7.87 4.89 0.00 1.82 1.93 0.00 3.36 0.00 0.00 3.32 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.57 0.00 70 T 8.05 4.52 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 1.12 0.00 0.00 71 D 7.90 4.96 0.00 2.61 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 72 K 7.92 4.60 0.00 1.87 1.85 0.00 1.70 0.00 0.00 1.92 0.00 0.00 2.84 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.32 1.29 7.81 73 V 8.00 4.70 1.91 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 0.53 0.00 0.00 -0.36 0.00 0.00 74 Y 7.78 4.10 0.00 2.64 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 75 Y 7.88 4.69 0.00 3.15 2.89 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 76 H 8.58 4.55 0.00 3.13 3.27 0.00 5.85 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 77 H 8.61 3.95 0.00 3.27 3.35 0.00 5.93 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 78 T 8.21 4.41 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 1.19 0.00 0.00 79 G 8.93 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 H 8.35 4.36 0.00 3.09 3.32 0.00 5.94 0.00 0.00 0.00 0.00 6.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 8.38 2.89 1.91 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 1.46 1.39 0.93 0.00 0.00 82 G 9.65 4.20 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 0.00 83 G 8.27 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 0.00 0.00 0.00 84 I 7.78 3.64 1.84 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.58 0.99 0.00 0.00 85 K 7.76 3.67 0.00 1.90 1.86 0.00 1.61 0.00 0.00 1.54 0.00 0.00 3.22 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.31 1.52 7.81 86 Q 8.14 4.41 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.64 0.00 0.00 0.00 0.00 0.00 2.54 2.46 0.00 87 A 8.46 5.04 1.25 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 0.00 0.00 88 T 7.74 4.02 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 1.06 0.00 0.00 89 F 7.63 5.06 0.00 3.19 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 90 E 8.59 4.01 0.00 2.07 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 2.36 2.39 0.00 91 E 7.95 4.15 0.00 2.05 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 2.41 2.51 0.00 92 M 7.50 4.61 0.00 2.02 2.31 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.11 2.68 0.00 93 I 7.49 4.34 1.91 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.65 0.86 0.00 0.00 94 A 7.69 4.63 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 95 R 7.94 4.19 0.00 1.77 1.97 0.00 3.28 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 96 R 7.39 4.94 0.00 1.77 1.71 0.00 3.16 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.99 0.00 97 P 0.00 4.30 0.00 2.22 2.10 0.00 3.66 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 2.11 2.37 0.00 98 E 8.49 3.81 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 99 R 7.83 3.82 0.00 1.85 1.96 0.00 3.01 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 100 V 6.77 3.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.03 0.00 0.00 101 I 8.71 3.75 1.92 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 1.46 0.99 0.95 0.00 0.00 102 E 7.49 4.12 0.00 2.41 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 3.00 2.56 0.00 103 I 7.75 3.79 2.06 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 1.74 1.27 1.17 0.00 0.00 104 A 8.02 4.07 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 0.00 105 V 8.63 3.72 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.97 0.00 0.00 106 K 7.40 4.42 0.00 1.94 1.97 0.00 1.47 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.36 7.81 107 G 8.82 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 0.00 0.00 0.00 0.00 108 M 7.44 4.48 0.00 1.86 2.32 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.48 0.00 109 L 7.41 4.68 0.00 1.83 1.81 0.96 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 0.00 110 P 0.00 4.00 0.00 2.08 2.21 0.00 3.82 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 2.06 2.16 0.00 111 K 8.08 3.71 0.00 1.91 1.88 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.65 7.81 112 G 8.73 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 0.00 113 P 0.00 4.10 0.00 2.06 2.13 0.00 3.71 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 2.04 2.10 0.00 114 L 7.89 3.99 0.00 1.74 1.66 0.99 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.09 3.73 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 0.00 0.00 0.00 116 R 7.87 3.89 0.00 2.09 2.05 0.00 3.27 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 117 A 8.03 4.76 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 0.00 118 M 7.55 4.44 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 119 F 8.37 4.19 0.00 3.10 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 0.00 120 R 8.31 4.00 0.00 1.91 2.04 0.00 3.37 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 121 K 7.67 4.58 0.00 1.88 1.63 0.00 1.56 0.00 0.00 1.49 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.77 1.17 7.81 122 L 7.59 4.11 0.00 1.26 1.34 0.69 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 123 K 7.80 3.66 0.00 2.17 2.12 0.00 1.65 0.00 0.00 1.88 0.00 0.00 3.20 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.55 7.81 124 V 8.21 3.89 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 1.09 0.00 0.00 0.70 0.00 0.00 125 Y 8.60 3.69 0.00 3.40 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 0.00 126 A 8.40 5.30 1.28 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 0.00 0.00 127 G 8.37 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 0.00 0.00 0.00 128 N 8.08 4.27 0.00 2.88 2.93 0.00 0.00 6.42 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 0.00 129 E 7.92 4.10 0.00 1.87 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 0.00 2.24 2.35 0.00 130 H 7.71 4.69 0.00 3.23 3.19 0.00 5.96 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 N 8.58 4.10 0.00 3.12 3.20 0.00 0.00 6.62 8.16 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 0.00 132 H 8.02 4.23 0.00 3.06 3.57 0.00 5.88 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 A 8.09 3.95 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 0.00 134 A 7.20 4.12 1.58 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 0.00 0.00 135 Q 7.71 4.87 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.69 0.00 136 Q 8.55 4.06 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 137 P 0.00 3.84 0.00 2.02 1.87 0.00 3.82 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 138 Q 7.36 4.46 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.66 0.00 0.00 0.00 0.00 0.00 1.33 1.16 0.00 139 V 7.08 4.94 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 0.80 0.00 0.00 0.90 0.00 0.00 140 L 8.37 4.00 0.00 1.33 1.19 0.88 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00