NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.0293 8.0093 120.7653 60.3516 38.6940 175.2319 4 D 3.9221 8.2297 128.1974 52.8932 39.7876 175.7095 5 Y 4.2020 8.4279 119.4810 60.1059 38.8733 177.4444 6 Y 4.4549 7.8725 116.2584 58.3089 38.9853 175.7903 7 D 4.8032 7.6596 121.5684 52.1433 39.9854 175.3866 8 Y 4.0681 8.4875 123.5871 60.5195 39.1965 176.6775 9 E 4.1421 8.4828 118.5941 59.8145 29.6623 179.3291 10 K 3.8930 7.8212 117.6584 59.6665 31.9494 179.4789 11 L 3.9296 7.5462 117.9615 57.2267 41.6753 179.0409 12 L 3.6962 7.6150 120.8276 57.8264 42.0726 178.5047 13 E 4.1523 8.0058 118.8754 59.1059 29.5088 178.2997 14 K 3.9845 8.0017 118.4720 58.3653 32.3874 176.9350 15 A 4.3055 7.5678 119.8463 52.6232 19.2422 176.9954 16 Y 4.7103 7.7502 113.7325 58.4816 40.2893 177.8637 17 Q 4.1286 8.1762 119.3298 58.2309 29.3768 176.3380 18 E 4.2889 7.9964 115.4804 57.3748 30.1970 176.5510 19 L 4.0563 7.5244 119.7048 53.8927 42.1228 175.7706 20 P 4.3496 0.0000 0.0000 62.8576 33.5732 176.1164 21 E 4.0672 8.9316 118.0225 58.7501 29.4827 179.2649 22 N 4.2915 7.9840 118.6686 55.6371 37.2307 176.5475 23 V 4.1630 7.3861 119.2402 62.9257 32.9498 177.3864 24 K 3.9482 8.3029 119.6925 58.3968 32.2564 176.3065 25 H 4.9225 7.0666 113.2312 54.5144 31.3746 175.0297 26 H 3.5282 7.3705 114.3481 58.2476 29.4344 175.3755 27 K 4.0558 7.8381 126.3556 56.8501 32.3793 177.1481 28 S 4.9333 8.2164 120.8202 55.5373 63.4607 174.1185 29 R 3.4177 8.0049 126.4726 55.7508 30.3744 176.7485 30 F 4.9067 7.5670 116.6383 56.6177 39.4500 175.9579 31 E 4.3670 8.3545 119.3612 56.9216 29.0073 176.7622 32 V 3.9181 7.4053 114.1171 60.0241 31.3020 174.0879 33 P 4.6027 0.0000 0.0000 61.2668 32.4101 176.3143 34 G 3.8127 8.5158 110.0315 44.9761 0.0000 172.8173 35 A 4.0057 8.4340 122.4146 52.1982 19.0307 176.8992 36 L 4.6800 8.5089 123.5816 53.3651 44.6599 175.0458 37 V 4.8370 8.4256 125.9337 61.3614 34.4739 174.9456 38 T 4.4459 9.1196 123.2470 62.0832 71.9042 173.3655 39 I 4.5675 8.4781 128.8401 59.9365 37.6396 174.5547 40 E 4.4927 9.3612 129.3490 55.3456 32.0243 175.7930 41 G 3.9210 8.2793 114.9346 47.3039 0.0000 173.8717 42 N 5.1931 8.8783 117.1505 52.2116 38.8533 173.1204 43 K 4.9523 8.5426 116.8956 54.4666 36.5685 175.1739 44 T 4.9986 8.5200 118.8943 62.3192 71.1719 173.6826 45 I 5.5900 8.9518 125.2386 58.5728 41.9536 173.5816 46 I 5.1256 8.6788 123.4140 58.5416 39.0105 175.3627 47 E 4.4383 8.8056 124.3198 55.9987 29.9922 175.8892 48 N 4.7743 7.8408 116.5771 53.7362 39.7559 175.9161 49 F 4.0755 7.9679 118.7754 62.2925 39.4733 176.7376 50 K 3.7129 8.3302 117.5765 60.4486 32.0914 178.3388 51 D 4.3018 8.1638 119.5868 57.2103 40.7859 178.5988 52 I 3.5793 7.6174 119.3600 64.3585 37.1922 177.9740 53 A 3.8116 7.6670 121.1414 55.4346 18.0809 179.2203 54 D 4.4280 8.3930 114.7287 56.1502 40.9547 177.8425 55 A 4.3613 7.5765 120.6310 53.5477 19.4696 178.4701 56 L 4.2089 7.8270 115.2995 54.1582 42.2626 176.1331 57 N 4.1089 7.9769 115.8621 54.7272 37.3263 173.1840 58 R 4.6374 7.4936 113.4590 53.5546 33.1629 175.4871 59 D 4.6523 8.2357 118.9325 53.7380 41.7032 175.5962 60 P 4.2405 0.0000 0.0000 65.9267 31.5184 178.8072 61 Q 4.3268 7.9849 114.8802 57.3272 29.3572 177.0148 62 H 4.4493 8.1465 117.7580 57.6151 30.7225 176.2324 63 L 3.9431 7.6880 120.4970 57.1537 42.4261 177.6259 64 L 3.9267 8.2560 119.7971 58.3369 41.8467 179.1738 65 K 3.8952 7.7609 116.6925 59.5652 32.1912 178.9713 66 F 4.2123 7.7479 119.4505 61.9432 39.0174 176.5847 67 L 3.8671 8.0335 119.0356 56.8240 41.3354 178.7054 68 L 3.9025 7.8773 120.6419 56.9157 41.9350 179.3010 69 R 4.0908 7.2836 118.0473 58.9654 30.4943 177.3901 70 E 3.9340 7.4822 116.0739 58.0787 29.6617 176.9667 71 I 4.4584 7.9290 118.2106 59.2606 40.2118 175.4969 72 A 4.5849 8.0991 124.3737 50.2225 18.5529 174.9097 73 T 4.8349 7.5959 116.4857 62.3068 73.3768 172.2622 74 A 4.7271 8.5948 122.5141 50.5360 22.1715 175.5833 75 G 4.5896 8.5942 107.5796 44.7770 0.0000 171.3420 76 T 4.9203 8.2976 113.9538 59.8674 71.1456 172.5048 77 L 5.0313 8.1352 125.4798 54.6600 42.6775 175.1310 78 E 4.4287 9.2406 117.7720 56.6847 33.4453 177.2383 79 G 3.7576 8.5337 112.4607 47.4965 0.0000 175.2208 80 R 3.9870 7.9607 111.3758 56.9926 28.2295 176.4665 81 R 4.8928 9.0612 114.8261 54.8626 33.0401 173.4864 82 V 4.6357 8.1564 116.0604 61.6083 35.3544 173.1806 83 V 4.6264 8.2996 127.5697 61.5190 33.2491 174.2884 84 L 5.0158 9.3002 129.1648 53.2577 43.7070 177.5561 85 Q 4.1988 8.6747 120.9213 57.5795 28.6771 176.4189 86 G 4.1212 8.1284 107.9100 45.2242 0.0000 171.3097 87 R 4.6723 7.7956 120.4244 54.2070 32.1788 175.6399 88 F 4.7846 8.5060 121.4120 55.7673 42.7969 174.8751 89 T 4.0526 8.5597 116.0035 60.8506 69.4902 173.4021 90 P 4.2105 0.0000 0.0000 66.1050 31.2107 178.4863 91 Y 4.6867 7.1970 115.7627 60.3387 37.6873 177.8234 92 L 4.0413 7.9499 121.7417 58.3147 42.2794 179.1182 93 I 3.8039 7.7849 119.0867 64.3091 37.3283 178.0329 94 A 4.1172 8.6064 121.9648 55.2417 17.7389 179.0900 95 N 4.5229 8.3579 115.4393 56.2522 39.0268 177.3121 96 K 4.0628 7.7247 118.7414 59.1472 32.3815 179.1370 97 L 4.2025 8.1092 119.3421 57.6903 41.4591 179.4460 98 K 4.0258 7.8722 118.5389 59.4535 32.0214 179.0938 99 K 4.1699 7.8081 118.5612 59.3795 32.0493 178.4942 100 Y 3.3310 8.2070 119.8379 60.8511 38.1386 178.4273 101 I 3.7774 7.8430 120.3903 64.2640 36.8988 178.4157 102 K 3.9691 7.4633 118.6473 58.4855 32.2214 177.7971 103 E 4.3027 7.8909 114.3747 56.2394 30.2448 175.6498 104 Y 4.5394 7.9540 115.0435 57.4343 39.8246 175.6483 105 V 4.3340 7.5346 116.5413 61.7874 33.2357 174.6032 106 I 4.6099 7.3235 118.3077 60.0536 40.5600 174.3060 107 C 4.3228 8.4268 123.9624 57.7194 31.5652 172.4242 108 P 4.4458 0.0000 0.0000 64.3561 31.4219 177.4131 109 V 3.9193 7.6985 112.1661 62.8475 32.3922 175.9477 110 C 4.5737 7.7072 117.4052 55.5902 30.5340 173.6947 111 G 4.1300 8.5530 114.0150 46.7321 0.0000 172.0776 112 S 4.4139 8.3599 119.7786 57.0484 66.6032 173.8970 113 P 4.5860 0.0000 0.0000 64.2200 31.1923 176.6985 114 D 4.6167 7.8524 117.6298 54.7946 40.7242 175.8772 115 T 4.1881 7.3555 114.3341 62.2547 67.7470 173.3372 116 K 4.6243 8.2268 125.1617 54.8579 36.3937 174.5335 117 I 4.2167 8.2712 125.6935 60.7006 38.5058 174.6930 118 I 4.5913 8.1465 127.8553 59.2435 41.6740 174.8656 119 K 4.5938 8.4762 124.0039 55.2075 33.9944 176.3824 120 R 4.4321 8.4976 119.6597 55.9819 31.0019 174.7970 121 D 4.4785 7.5228 116.9842 53.3089 44.3253 175.4043 122 R 4.0017 8.0520 118.6404 58.1102 30.2010 177.2021 123 F 4.8517 7.5498 118.3519 57.4930 38.9162 174.0375 124 H 5.0614 9.1522 123.1743 55.4626 30.3546 174.3678 125 F 5.1159 8.9735 120.0378 55.9087 43.1067 173.8568 126 L 5.1747 8.6992 121.6611 52.6371 45.7906 175.7387 127 K 4.0921 9.7611 120.4537 56.0234 36.0461 173.7548 128 C 3.7143 7.1819 119.6685 60.6527 31.3846 174.1340 129 E 4.1196 8.4246 125.2269 56.7290 29.9905 176.7752 130 A 4.4298 7.9709 121.1742 53.4926 20.2959 177.5720 131 C 4.3108 7.9219 108.5248 60.2492 30.7700 174.8464 132 G 4.0116 7.5268 105.1740 44.2186 0.0000 173.5920 133 A 4.0575 7.9647 122.3957 51.9398 19.5009 176.8814 134 E 4.9223 8.3531 120.2060 54.4788 29.1681 175.8534 135 T 3.8445 7.7681 119.0382 62.9003 70.5357 172.5754 136 P 3.2796 0.0000 0.0000 61.5519 31.5579 175.2250 137 I 4.1734 7.4078 116.6578 58.8955 38.8853 176.0988 138 Q 4.6780 7.8671 127.3267 55.4833 29.9239 173.5076 139 H 4.0291 7.8458 121.5659 56.5536 30.1468 173.8441 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 I 8.01 4.03 1.80 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 1.33 1.25 0.81 0.00 0.00 4 D 8.23 3.92 0.00 3.03 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 5 Y 8.43 4.20 0.00 2.54 2.88 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 0.00 0.00 0.00 6 Y 7.87 4.45 0.00 3.09 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 7 D 7.66 4.80 0.00 2.86 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 8 Y 8.49 4.07 0.00 3.04 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 9 E 8.48 4.14 0.00 2.10 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 2.57 2.45 0.00 10 K 7.82 3.89 0.00 1.76 1.83 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.64 7.81 11 L 7.55 3.93 0.00 1.53 1.52 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.62 3.70 0.00 1.33 1.66 0.55 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.01 4.15 0.00 2.12 1.94 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 2.43 2.42 0.00 14 K 8.00 3.98 0.00 1.80 1.74 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.35 7.81 15 A 7.57 4.31 1.03 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 16 Y 7.75 4.71 0.00 3.13 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 17 Q 8.18 4.13 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.00 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 18 E 8.00 4.29 0.00 1.96 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 0.00 2.26 2.30 0.00 19 L 7.52 4.06 0.00 2.02 1.70 1.01 0.95 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 20 P 0.00 4.35 0.00 2.19 2.07 0.00 3.64 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.27 0.00 21 E 8.93 4.07 0.00 1.97 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 0.00 2.41 2.30 0.00 22 N 7.98 4.29 0.00 3.21 3.07 0.00 0.00 6.33 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 23 V 7.39 4.16 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 0.83 0.00 0.00 1.00 0.00 0.00 24 K 8.30 3.95 0.00 2.14 1.93 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.23 1.69 7.81 25 H 7.07 4.92 0.00 3.21 3.37 0.00 5.78 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 26 H 7.37 3.53 0.00 3.11 3.25 0.00 5.89 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 27 K 7.84 4.06 0.00 1.82 1.84 0.00 1.56 0.00 0.00 1.69 0.00 0.00 3.21 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.38 7.81 28 S 8.22 4.93 0.00 4.14 4.17 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 29 R 8.00 3.42 0.00 1.65 1.64 0.00 3.08 0.00 0.00 3.56 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.48 0.00 30 F 7.57 4.91 0.00 3.21 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 31 E 8.35 4.37 0.00 2.04 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 0.00 2.59 2.38 0.00 32 V 7.41 3.92 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 0.69 0.00 0.00 1.04 0.00 0.00 33 P 0.00 4.60 0.00 2.20 2.06 0.00 3.79 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 34 G 8.52 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 35 A 8.43 4.01 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 36 L 8.51 4.68 0.00 1.71 1.54 0.94 0.89 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 37 V 8.43 4.84 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 0.89 0.00 0.00 0.92 0.00 0.00 38 T 9.12 4.45 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 39 I 8.48 4.57 1.84 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 1.23 0.51 0.91 0.00 0.00 40 E 9.36 4.49 0.00 1.94 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 41 G 8.28 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 0.00 0.00 0.00 42 N 8.88 5.19 0.00 2.55 2.75 0.00 0.00 6.52 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 43 K 8.54 4.95 0.00 1.85 1.83 0.00 1.55 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.23 7.81 44 T 8.52 5.00 4.46 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 1.38 0.00 0.00 45 I 8.95 5.59 1.85 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 0.89 1.85 0.97 0.00 0.00 46 I 8.68 5.13 1.89 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 1.05 1.78 0.83 0.00 0.00 47 E 8.81 4.44 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 48 N 7.84 4.77 0.00 2.83 2.85 0.00 0.00 6.72 7.71 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 49 F 7.97 4.08 0.00 3.22 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 50 K 8.33 3.71 0.00 2.01 2.12 0.00 1.58 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.56 7.81 51 D 8.16 4.30 0.00 3.16 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 52 I 7.62 3.58 1.86 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 1.59 0.66 0.81 0.00 0.00 53 A 7.67 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.39 4.43 0.00 2.77 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 55 A 7.58 4.36 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 56 L 7.83 4.21 0.00 1.78 1.78 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 57 N 7.98 4.11 0.00 2.78 2.83 0.00 0.00 6.87 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 R 7.49 4.64 0.00 1.92 1.93 0.00 3.25 0.00 0.00 3.40 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 59 D 8.24 4.65 0.00 2.69 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 60 P 0.00 4.24 0.00 2.23 2.10 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.07 0.00 61 Q 7.98 4.33 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.94 0.00 0.00 0.00 0.00 0.00 2.50 2.40 0.00 62 H 8.15 4.45 0.00 3.18 3.33 0.00 5.65 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.69 3.94 0.00 1.35 1.59 0.25 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.26 3.93 0.00 1.83 1.72 0.83 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 65 K 7.76 3.90 0.00 1.93 1.83 0.00 1.77 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.72 7.81 66 F 7.75 4.21 0.00 3.15 3.16 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 0.00 67 L 8.03 3.87 0.00 1.97 1.46 0.93 0.58 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 68 L 7.88 3.90 0.00 1.56 1.79 0.87 0.87 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 69 R 7.28 4.09 0.00 1.78 2.05 0.00 3.32 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 70 E 7.48 3.93 0.00 1.57 1.77 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 1.74 1.47 0.00 71 I 7.93 4.46 1.74 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.38 0.43 0.00 0.00 72 A 8.10 4.58 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 73 T 7.60 4.83 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 74 A 8.59 4.73 1.18 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 75 G 8.59 4.59 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 0.00 0.00 0.00 76 T 8.30 4.92 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 1.18 0.00 0.00 77 L 8.14 5.03 0.00 1.72 1.64 0.94 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 78 E 9.24 4.43 0.00 2.01 1.76 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 2.15 2.24 0.00 79 G 8.53 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 80 R 7.96 3.99 0.00 2.02 2.09 0.00 3.35 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 81 R 9.06 4.89 0.00 1.74 2.02 0.00 2.77 0.00 0.00 3.09 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.51 0.00 82 V 8.16 4.64 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 0.50 0.00 0.00 -0.06 0.00 0.00 83 V 8.30 4.63 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 0.92 0.00 0.00 0.91 0.00 0.00 84 L 9.30 5.02 0.00 1.84 1.74 0.76 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 8.67 4.20 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 86 G 8.13 4.12 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 0.00 0.00 0.00 87 R 7.80 4.67 0.00 1.49 1.63 0.00 3.25 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.41 0.00 88 F 8.51 4.78 0.00 3.02 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 89 T 8.56 4.05 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 1.24 0.00 0.00 90 P 0.00 4.21 0.00 1.62 1.97 0.00 3.29 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.07 0.00 91 Y 7.20 4.69 0.00 3.24 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 92 L 7.95 4.04 0.00 1.86 1.93 1.19 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 93 I 7.78 3.80 1.89 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 1.47 0.39 0.93 0.00 0.00 94 A 8.61 4.12 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 95 N 8.36 4.52 0.00 2.98 3.15 0.00 0.00 7.11 6.09 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 96 K 7.72 4.06 0.00 1.92 1.87 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.69 1.53 7.81 97 L 8.11 4.20 0.00 1.80 1.80 0.99 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.87 4.03 0.00 1.98 2.12 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.53 7.81 99 K 7.81 4.17 0.00 2.45 2.10 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.57 1.84 7.81 100 Y 8.21 3.33 0.00 2.65 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 0.00 101 I 7.84 3.78 2.04 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 1.52 1.35 0.90 0.00 0.00 102 K 7.46 3.97 0.00 1.78 2.02 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.39 7.81 103 E 7.89 4.30 0.00 1.76 1.66 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 2.22 1.93 0.00 104 Y 7.95 4.54 0.00 1.64 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 0.00 0.00 0.00 0.00 105 V 7.53 4.33 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 0.97 0.00 0.00 0.88 0.00 0.00 106 I 7.32 4.61 1.80 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 1.24 0.90 0.88 0.00 0.00 107 C 8.43 4.32 0.00 2.90 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 0.00 108 P 0.00 4.45 0.00 2.15 2.08 0.00 3.73 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 1.91 1.89 0.00 109 V 7.70 3.92 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 0.73 0.00 0.00 0.89 0.00 0.00 110 C 7.71 4.57 0.00 2.99 2.88 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 0.00 0.00 0.00 111 G 8.55 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 S 8.36 4.41 0.00 3.81 3.69 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 0.00 113 P 0.00 4.59 0.00 1.92 2.00 0.00 3.63 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.94 0.00 114 D 7.85 4.62 0.00 2.67 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 T 7.36 4.19 4.19 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 1.25 0.00 0.00 116 K 8.23 4.62 0.00 1.75 1.55 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.75 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.32 1.37 7.81 117 I 8.27 4.22 1.80 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 1.16 0.86 0.83 0.00 0.00 118 I 8.15 4.59 1.90 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 1.24 1.33 1.06 0.00 0.00 119 K 8.48 4.59 0.00 1.71 1.70 0.00 2.03 0.00 0.00 2.02 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.23 1.31 7.81 120 R 8.50 4.43 0.00 1.84 2.00 0.00 3.02 0.00 0.00 3.02 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.40 0.00 121 D 7.52 4.48 0.00 2.81 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 0.00 122 R 8.05 4.00 0.00 1.46 1.87 0.00 3.16 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.45 0.00 123 F 7.55 4.85 0.00 3.13 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 0.00 124 H 9.15 5.06 0.00 3.25 3.48 0.00 5.58 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 8.97 5.12 0.00 2.96 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 0.00 126 L 8.70 5.17 0.00 1.46 1.72 1.08 1.15 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 0.00 127 K 9.76 4.09 0.00 1.84 1.90 0.00 1.65 0.00 0.00 1.53 0.00 0.00 2.83 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.34 1.35 7.81 128 C 7.18 3.71 0.00 3.05 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 0.00 129 E 8.42 4.12 0.00 2.14 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 2.38 0.00 130 A 7.97 4.43 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 0.00 131 C 7.92 4.31 0.00 3.07 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 0.00 132 G 7.53 4.01 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 0.00 0.00 0.00 133 A 7.96 4.06 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 0.00 134 E 8.35 4.92 0.00 2.02 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 0.00 2.25 2.48 0.00 135 T 7.77 3.84 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 1.07 0.00 0.00 136 P 0.00 3.28 0.00 1.57 0.61 0.00 3.39 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 137 I 7.41 4.17 1.69 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 1.11 0.83 0.72 0.00 0.00 138 Q 7.87 4.68 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.12 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 139 H 7.85 4.03 0.00 3.13 3.04 0.00 5.81 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