NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4126 8.1927 115.2912 57.9916 63.8806 174.3814 4 S 3.9211 8.6224 121.8249 60.9317 62.2098 174.9489 5 I 3.6823 8.4591 123.3671 64.5507 37.3388 177.9952 6 R 3.8836 7.8778 118.5781 59.3287 29.8587 179.0052 7 E 3.9922 8.4674 118.6037 59.3887 29.3719 179.0101 8 E 4.0131 8.2260 119.4306 58.7824 29.6299 178.9989 9 V 3.5251 7.8786 118.6663 66.4533 31.7938 177.8530 10 H 4.2219 8.3270 116.1080 58.7305 28.3893 177.8489 11 R 3.9212 8.0713 120.7340 59.4686 29.9157 178.0410 12 H 4.0872 8.4448 118.1745 59.4352 29.7221 177.2907 13 L 4.1135 7.9916 119.3970 57.6053 41.1148 179.4435 14 G 3.7538 7.9430 105.4252 47.7470 0.0000 176.1742 15 T 3.9236 8.1623 118.3281 66.4889 68.5027 177.2401 16 V 3.5954 7.8515 113.7853 63.9591 31.4753 178.3772 17 A 4.0452 7.6793 119.9867 54.9439 17.9226 179.5490 18 L 4.0655 7.9216 116.8612 57.2987 41.6788 178.4292 19 M 4.5569 7.4033 116.4952 53.6476 32.2645 175.5777 20 Q 3.9313 7.2822 121.1114 55.6563 29.3480 174.7599 21 P 4.3449 0.0000 0.0000 63.2290 31.9758 175.2168 22 A 4.3944 8.0058 121.6409 51.7211 21.7165 176.3193 23 L 4.3610 8.3344 120.0294 53.6216 41.4529 176.1762 24 H 4.5257 8.6172 124.4973 54.5029 29.9231 174.2887 25 Q 4.4484 8.2109 129.1463 53.9724 29.4432 175.0857 26 Q 4.1086 8.5281 125.1155 55.9437 29.4666 175.9419 27 T 4.4564 8.3240 111.8564 60.2312 70.7005 174.6428 28 H 4.6990 7.8338 121.0492 54.4745 28.5843 172.9442 29 A 3.6526 7.9871 128.8841 53.1779 15.8540 175.3389 30 P 4.4103 0.0000 0.0000 61.4493 32.8572 177.2185 31 A 4.2639 8.2353 121.8812 51.2701 19.2730 176.9405 32 P 4.2771 0.0000 0.0000 65.9164 31.4632 178.9046 33 T 4.0949 7.9003 106.0381 63.3437 68.7871 174.4310 34 E 4.3781 8.1569 120.9656 56.2444 30.0129 175.6769 35 I 4.3255 7.4716 121.3889 59.8825 37.5181 176.3266 36 T 4.3798 8.1762 116.8674 60.9002 71.3076 174.8447 37 H 4.1579 8.6671 119.7374 59.6239 29.8117 177.0507 38 T 3.8621 7.9526 117.0994 66.7851 68.3463 176.4324 39 L 3.9199 7.9289 120.5493 57.4833 41.6237 179.2319 40 F 4.1062 8.5815 121.0094 61.3995 39.1176 177.2358 41 R 3.8948 8.1506 117.0385 59.2466 29.7502 178.0281 42 A 4.0253 7.9622 120.6670 55.4206 18.1514 179.3076 43 Y 4.2467 8.0791 114.7915 60.5806 37.9773 177.5211 44 T 4.2864 7.3200 108.4707 60.5133 69.4328 175.1156 45 R 4.0356 6.7699 117.2070 56.3679 30.4535 176.3040 46 V 3.9768 7.9974 112.2702 59.5497 32.4080 175.3928 47 P 4.0655 0.0000 0.0000 65.8807 31.1744 177.3935 48 H 4.5117 6.9794 111.3502 57.0376 28.6641 175.7698 49 D 4.5512 7.6528 120.5789 53.2510 39.3342 175.6409 50 V 4.8500 7.2425 114.1217 59.4713 33.2943 176.2477 51 G 3.9147 8.0107 109.5860 47.4260 0.0000 173.8201 52 G 4.0001 8.9515 113.2745 45.1185 0.0000 173.5600 53 E 4.0519 8.0925 120.2069 55.7960 30.0378 176.3947 54 A 4.3288 8.3652 126.2828 52.5047 19.0783 176.0667 55 D 4.6375 8.1476 119.6271 53.2627 44.3426 174.8104 56 V 4.1664 7.9050 115.8782 59.3297 33.0938 174.2254 57 P 4.4734 0.0000 0.0000 62.1528 31.8970 176.2702 58 I 4.3817 7.3736 114.5507 58.6408 40.4228 175.1147 59 E 3.9555 8.4348 123.3989 55.4693 28.5217 175.8231 60 Y 4.3722 7.9667 124.2281 58.3922 38.5509 175.7840 61 H 5.0368 8.2955 117.6972 53.7818 31.8378 172.6209 62 E 4.4738 8.4771 119.6893 55.2094 30.9698 175.7453 63 K 4.5929 7.9783 120.0652 54.5743 35.2432 175.8589 64 E 4.0787 8.6321 125.3044 56.2284 29.8936 175.9918 65 E 4.2645 8.4080 122.6397 55.5860 30.8118 175.9302 66 E 4.1519 9.2250 126.1014 55.8010 31.7055 178.1728 67 I 3.7507 8.3499 123.0567 64.3467 37.2014 178.8522 68 W 5.0221 8.1982 118.3843 59.0085 27.9664 178.2468 69 E 2.9183 6.9604 119.2495 58.6372 28.8140 178.7408 70 L 3.9408 7.4003 121.6703 57.6669 42.1621 178.8065 71 N 4.4497 8.2977 116.4779 56.5072 38.3905 177.6286 72 T 4.0405 8.2656 117.5022 66.5566 68.5834 176.4333 73 F 4.2217 8.2259 122.5252 61.3906 39.3269 176.9447 74 A 3.9144 8.1609 120.2759 55.4754 18.0905 179.7486 75 T 3.8803 8.1740 114.1843 67.0425 68.5206 176.7357 76 C 4.6063 8.5529 118.7783 63.1442 28.2724 176.1097 77 E 4.1152 8.3865 120.2451 59.5163 28.9025 179.1929 78 C 4.6575 8.6345 117.3234 62.7950 28.1278 176.0843 79 L 3.9037 8.4420 120.7189 57.4907 41.0518 179.4929 80 A 5.1688 8.2000 121.8542 54.5564 18.2347 179.1736 81 W 4.4753 8.6132 126.0319 60.8874 30.7336 177.5132 82 R 4.3137 8.1019 115.3280 55.7277 29.6287 177.0644 83 G 3.9878 8.0846 105.7819 46.3559 0.0000 175.7706 84 V 3.6715 8.2582 122.3183 65.0013 31.7964 175.7011 85 W 5.0946 7.9124 114.7269 55.0098 30.5156 172.8899 86 T 4.8445 8.6411 109.5164 59.8962 71.6482 175.3573 87 A 3.5999 8.2604 123.1697 55.2982 18.3279 179.9064 88 E 3.8297 7.9626 116.6137 59.5153 29.5757 179.2075 89 E 3.9312 7.8141 118.8181 59.1707 29.4345 179.3257 90 R 3.0287 7.1360 118.6150 59.1451 29.9391 178.6569 91 R 3.5921 7.7947 118.1263 59.1755 29.9659 178.9751 92 R 3.7433 7.7903 118.2305 59.4608 29.8881 178.7880 93 K 4.1327 7.9649 118.2423 59.3887 31.5803 179.2543 94 Q 4.1138 8.6508 121.6542 57.8879 28.8344 176.8210 95 N 5.0020 8.5399 115.3927 53.3328 39.2736 175.2011 96 C 4.1422 7.4820 115.8240 61.3300 30.6208 175.9670 97 D 4.4130 8.2081 118.2770 57.3728 40.5031 178.7936 98 V 3.6534 7.1447 111.2660 62.4407 31.8611 177.3049 99 G 4.1354 8.1433 105.6319 45.8309 0.0000 173.9773 100 Q 4.0389 8.8517 121.3807 59.6625 28.8430 179.5381 101 T 3.8784 7.9273 115.6782 66.9276 68.6598 176.7550 102 V 3.6705 7.8148 119.5063 65.9183 31.6460 177.0363 103 Y 4.1810 8.4600 119.8530 60.2534 38.4182 177.4971 104 L 4.5347 7.7715 116.5495 55.0027 42.9339 178.3332 105 G 3.8235 8.1886 105.3336 45.8009 0.0000 173.9149 106 M 4.5743 7.3340 119.3352 52.8958 34.1168 174.0464 107 P 4.5787 0.0000 0.0000 62.2954 32.1647 176.4894 108 Y 4.1687 8.7142 120.6238 62.1342 38.5170 178.3681 109 Y 4.5724 8.2642 116.2263 59.9685 38.0930 178.3382 110 G 3.9398 8.5527 107.8919 47.9490 0.0000 176.1682 111 R 4.0828 8.1362 120.6774 58.6750 30.1847 179.1286 112 W 4.4021 8.4068 119.7650 59.2020 29.2612 178.1491 113 L 4.2353 8.5623 120.2185 58.3368 41.6419 178.8741 114 L 4.0859 8.3811 119.1508 58.3296 41.5088 179.7171 115 T 4.1248 8.3069 115.2795 66.1950 67.8543 176.9033 116 A 3.9213 8.2082 122.6944 54.9791 17.8973 179.5253 117 A 3.9736 8.0798 119.2966 55.0700 18.4120 179.7893 118 R 3.8453 8.0631 117.2792 59.7441 30.2503 178.6055 119 I 3.7508 7.8713 118.3830 63.9856 37.8353 177.7096 120 L 4.0865 7.4706 118.9389 57.7221 41.4057 179.7357 121 V 4.0216 7.3700 118.4843 65.5398 31.3854 177.8173 122 D 4.3842 8.3070 117.6673 56.8147 40.6464 177.9962 123 K 4.2176 7.7564 116.2677 55.0269 32.3135 176.3324 124 Q 3.4061 7.6781 116.4952 56.9233 26.8094 175.2211 125 F 4.4449 7.8349 117.9818 59.4096 39.4911 176.4790 126 V 4.6253 7.3731 119.2515 60.2720 34.7557 174.4164 127 T 4.3972 8.8832 117.1218 60.9489 71.1589 175.8581 128 L 3.8988 8.2805 123.0836 58.3859 42.0216 179.3643 129 T 3.8291 7.7723 115.4266 66.7089 68.4513 176.1642 130 E 3.9822 8.2672 120.4381 59.2013 29.4486 179.2975 131 L 3.9353 7.7728 120.2852 58.4586 42.2394 178.6684 132 H 4.2631 8.4878 116.5473 59.1123 28.6552 177.5372 133 N 4.3518 8.5845 118.6181 56.1880 38.2739 177.3911 134 K 3.9582 8.2864 121.1012 59.5305 32.2727 178.9420 135 I 3.6810 7.8968 120.1524 64.2746 36.9113 178.5214 136 V 3.5729 7.7621 119.0270 65.9681 31.3040 177.7966 137 E 3.9514 8.2836 118.2512 59.9240 29.3726 179.3226 138 M 4.1129 8.2544 118.6495 58.5228 31.9126 179.1519 139 R 3.9461 8.0538 118.2504 59.2855 30.1704 178.9756 140 E 3.9810 8.5478 118.7332 59.1134 29.4024 179.3606 141 R 3.8696 8.3303 119.5353 59.2246 29.9133 178.8170 142 V 3.5589 7.5941 116.8335 66.0042 31.9196 177.4543 143 A 4.1260 8.1663 120.8464 55.2080 18.1295 179.4326 144 S 4.2290 8.1438 110.8810 58.9282 63.1722 174.3489 145 G 3.8460 7.8588 110.1788 47.3084 0.0000 173.8478 146 Q 4.3095 8.2712 117.6050 55.1567 29.1327 176.4200 147 G 3.9850 8.6918 106.4734 44.8839 0.0000 174.8935 148 L 4.5264 9.0919 116.2346 55.4658 44.6795 175.4356 149 G 3.7690 7.9843 115.4438 46.5989 0.0000 171.3932 150 E 4.4266 8.2949 122.6966 56.5735 30.0876 176.9331 151 Y 4.5899 7.8483 119.3075 59.5567 38.8765 175.2370 152 L 4.4661 7.3666 117.0163 53.3866 44.8302 171.6457 153 P 4.6341 0.0000 0.0000 61.8211 32.0475 174.4743 154 P 4.4658 0.0000 0.0000 63.2396 31.2540 176.1239 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 3 S 8.19 4.41 0.00 3.87 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 4 S 8.62 3.92 0.00 4.01 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 5 I 8.46 3.68 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.70 0.89 0.00 0.00 6 R 7.88 3.88 0.00 2.01 2.02 0.00 3.27 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 7 E 8.47 3.99 0.00 2.25 2.01 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 2.35 2.44 0.00 8 E 8.23 4.01 0.00 2.15 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 2.30 2.31 0.00 9 V 7.88 3.53 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 0.84 0.00 0.00 0.95 0.00 0.00 10 H 8.33 4.22 0.00 3.22 3.33 0.00 5.67 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.07 3.92 0.00 2.02 2.10 0.00 3.11 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 12 H 8.44 4.09 0.00 3.38 3.52 0.00 5.84 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 13 L 7.99 4.11 0.00 1.83 1.73 0.94 0.82 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 14 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 15 T 8.16 3.92 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 1.19 0.00 0.00 16 V 7.85 3.60 2.03 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 0.59 0.00 0.00 0.94 0.00 0.00 17 A 7.68 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 18 L 7.92 4.07 0.00 1.70 1.74 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 19 M 7.40 4.56 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 20 Q 7.28 3.93 0.00 1.99 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.66 6.86 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 21 P 0.00 4.34 0.00 2.08 1.98 0.00 3.77 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 2.03 2.09 0.00 22 A 8.01 4.39 1.22 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 0.00 0.00 23 L 8.33 4.36 0.00 1.64 1.66 0.93 1.03 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 24 H 8.62 4.53 0.00 3.07 3.25 0.00 5.88 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 8.21 4.45 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.73 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 26 Q 8.53 4.11 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.48 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 27 T 8.32 4.46 4.22 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 1.26 0.00 0.00 28 H 7.83 4.70 0.00 3.18 3.34 0.00 5.87 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 29 A 7.99 3.65 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 30 P 0.00 4.41 0.00 2.20 2.06 0.00 3.69 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 31 A 8.24 4.26 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 32 P 0.00 4.28 0.00 2.20 2.14 0.00 3.61 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 33 T 7.90 4.09 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 34 E 8.16 4.38 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 35 I 7.47 4.33 2.10 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.90 1.15 0.00 0.00 36 T 8.18 4.38 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 1.24 0.00 0.00 37 H 8.67 4.16 0.00 3.22 3.37 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.95 3.86 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 39 L 7.93 3.92 0.00 1.98 1.87 1.01 0.71 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 40 F 8.58 4.11 0.00 3.27 3.20 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 41 R 8.15 3.89 0.00 1.81 2.06 0.00 3.36 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 42 A 7.96 4.03 1.14 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 0.00 0.00 43 Y 8.08 4.25 0.00 2.87 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 44 T 7.32 4.29 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 0.53 0.00 0.00 45 R 6.77 4.04 0.00 1.94 2.06 0.00 2.99 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.54 0.00 46 V 8.00 3.98 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 0.81 0.00 0.00 0.94 0.00 0.00 47 P 0.00 4.07 0.00 1.49 1.79 0.00 3.43 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 48 H 6.98 4.51 0.00 3.17 3.38 0.00 5.57 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.65 4.55 0.00 2.69 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 50 V 7.24 4.85 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 1.29 0.00 0.00 1.00 0.00 0.00 51 G 8.01 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.95 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 53 E 8.09 4.05 0.00 2.19 1.90 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 2.34 2.32 0.00 54 A 8.37 4.33 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 55 D 8.15 4.64 0.00 2.62 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 56 V 7.90 4.17 2.06 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 0.77 0.00 0.00 0.90 0.00 0.00 57 P 0.00 4.47 0.00 1.97 1.91 0.00 3.58 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 58 I 7.37 4.38 1.72 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 0.90 -0.08 0.83 0.00 0.00 59 E 8.43 3.96 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 2.28 2.30 0.00 60 Y 7.97 4.37 0.00 3.02 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 61 H 8.30 5.04 0.00 3.20 3.24 0.00 5.51 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.48 4.47 0.00 1.97 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 2.26 2.21 0.00 63 K 7.98 4.59 0.00 1.68 1.58 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.45 7.81 64 E 8.63 4.08 0.00 1.97 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 2.29 2.28 0.00 65 E 8.41 4.26 0.00 1.89 1.71 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 2.14 2.11 0.00 66 E 9.22 4.15 0.00 1.16 1.54 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 0.00 2.18 2.30 0.00 67 I 8.35 3.75 2.15 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.98 0.99 0.00 0.00 68 W 8.20 5.02 0.00 3.50 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 69 E 6.96 2.92 0.00 1.49 1.12 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 1.47 1.47 0.00 70 L 7.40 3.94 0.00 1.82 1.76 0.97 0.54 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 71 N 8.30 4.45 0.00 3.17 3.00 0.00 0.00 7.05 6.35 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 72 T 8.27 4.04 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 1.62 0.00 0.00 73 F 8.23 4.22 0.00 2.76 3.10 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 74 A 8.16 3.91 1.43 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 0.00 0.00 75 T 8.17 3.88 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 1.28 0.00 0.00 76 C 8.55 4.61 0.00 3.55 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 77 E 8.39 4.12 0.00 1.77 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 1.76 1.81 0.00 78 C 8.63 4.66 0.00 3.22 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 79 L 8.44 3.90 0.00 1.98 1.30 0.63 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 80 A 8.20 5.17 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 81 W 8.61 4.48 0.00 3.27 3.45 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 82 R 8.10 4.31 0.00 1.69 1.71 0.00 3.03 0.00 0.00 2.41 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.39 0.00 83 G 8.08 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 84 V 8.26 3.67 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 0.52 0.00 0.00 0.45 0.00 0.00 85 W 7.91 5.09 0.00 3.62 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 86 T 8.64 4.84 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 1.26 0.00 0.00 87 A 8.26 3.60 1.23 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 0.00 0.00 0.00 88 E 7.96 3.83 0.00 1.93 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 2.35 2.31 0.00 89 E 7.81 3.93 0.00 2.15 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 0.00 2.36 2.34 0.00 90 R 7.14 3.03 0.00 0.67 1.22 0.00 2.58 0.00 0.00 2.51 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.65 0.00 91 R 7.79 3.59 0.00 1.84 1.85 0.00 3.29 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.66 0.00 92 R 7.79 3.74 0.00 1.78 2.01 0.00 3.30 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.77 0.00 93 K 7.96 4.13 0.00 1.92 1.91 0.00 1.89 0.00 0.00 1.91 0.00 0.00 3.08 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.66 7.81 94 Q 8.65 4.11 0.00 1.88 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.66 0.00 0.00 0.00 0.00 0.00 2.11 2.22 0.00 95 N 8.54 5.00 0.00 2.74 2.89 0.00 0.00 6.80 7.68 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 96 C 7.48 4.14 0.00 3.00 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 97 D 8.21 4.41 0.00 2.75 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 98 V 7.14 3.65 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 0.79 0.00 0.00 1.11 0.00 0.00 99 G 8.14 4.14 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 0.00 0.00 0.00 100 Q 8.85 4.04 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.85 0.00 0.00 0.00 0.00 0.00 2.49 2.62 0.00 101 T 7.93 3.88 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 1.25 0.00 0.00 102 V 7.81 3.67 2.33 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 1.11 0.00 0.00 0.98 0.00 0.00 103 Y 8.46 4.18 0.00 3.25 3.20 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 0.00 104 L 7.77 4.53 0.00 1.66 1.70 1.02 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.19 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 0.00 106 M 7.33 4.57 0.00 2.12 2.21 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 2.62 2.68 0.00 107 P 0.00 4.58 0.00 2.47 2.15 0.00 3.78 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 2.30 2.19 0.00 108 Y 8.71 4.17 0.00 2.97 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 0.00 109 Y 8.26 4.57 0.00 2.99 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 0.00 110 G 8.55 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 0.00 111 R 8.14 4.08 0.00 2.07 2.05 0.00 3.28 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.92 0.00 112 W 8.41 4.40 0.00 3.86 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 8.56 4.24 0.00 2.18 2.08 1.06 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.38 4.09 0.00 1.83 1.78 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 115 T 8.31 4.12 4.55 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 1.50 0.00 0.00 116 A 8.21 3.92 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 0.00 117 A 8.08 3.97 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 8.06 3.85 0.00 2.16 2.15 0.00 3.18 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.95 0.00 119 I 7.87 3.75 1.53 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.93 0.10 0.00 0.00 120 L 7.47 4.09 0.00 1.90 1.72 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 121 V 7.37 4.02 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 1.34 0.00 0.00 0.96 0.00 0.00 122 D 8.31 4.38 0.00 2.72 2.72 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 0.00 123 K 7.76 4.22 0.00 1.79 1.30 0.00 2.14 0.00 0.00 1.83 0.00 0.00 3.10 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.37 1.47 7.81 124 Q 7.68 3.41 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.41 7.03 0.00 0.00 0.00 0.00 0.00 2.21 2.19 0.00 125 F 7.83 4.44 0.00 3.16 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 0.00 126 V 7.37 4.63 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 1.05 0.00 0.00 0.96 0.00 0.00 127 T 8.88 4.40 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 0.00 128 L 8.28 3.90 0.00 1.70 1.61 0.82 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 129 T 7.77 3.83 4.22 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 1.21 0.00 0.00 130 E 8.27 3.98 0.00 2.17 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 2.33 2.31 0.00 131 L 7.77 3.94 0.00 1.76 1.79 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 132 H 8.49 4.26 0.00 3.34 3.30 0.00 5.69 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 0.00 133 N 8.58 4.35 0.00 2.86 2.87 0.00 0.00 6.70 7.20 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 0.00 134 K 8.29 3.96 0.00 2.00 1.97 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.53 7.81 135 I 7.90 3.68 2.04 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 1.40 0.59 0.89 0.00 0.00 136 V 7.76 3.57 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 1.12 0.00 0.00 1.00 0.00 0.00 137 E 8.28 3.95 0.00 2.30 1.99 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 2.34 2.52 0.00 138 M 8.25 4.11 0.00 2.02 2.22 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.98 0.00 139 R 8.05 3.95 0.00 2.03 1.96 0.00 3.10 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 140 E 8.55 3.98 0.00 2.13 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 2.33 2.55 0.00 141 R 8.33 3.87 0.00 1.98 2.12 0.00 3.12 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.65 0.00 142 V 7.59 3.56 2.23 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 0.88 0.00 0.00 0.98 0.00 0.00 143 A 8.17 4.13 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 0.00 144 S 8.14 4.23 0.00 4.03 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 0.00 145 G 7.86 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.27 4.31 0.00 2.03 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.79 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 147 G 8.69 3.98 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 0.00 0.00 0.00 148 L 9.09 4.53 0.00 1.71 1.64 1.01 1.27 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 0.00 149 G 7.98 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 0.00 150 E 8.29 4.43 0.00 2.00 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 1.94 2.00 0.00 151 Y 7.85 4.59 0.00 3.27 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 0.00 152 L 7.37 4.47 0.00 1.73 1.53 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 153 P 0.00 4.63 0.00 2.22 2.05 0.00 3.85 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 154 P 0.00 4.47 0.00 2.20 2.16 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00