NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1D H 4.7723 8.4449 117.8388 55.4139 30.5957 172.4198 1E H 4.8554 7.8623 115.4584 52.0631 32.6420 171.2708 1F H 4.5658 9.1599 117.4896 56.0627 29.9154 174.0947 1G F 4.7721 8.4153 119.7006 57.7044 39.8154 174.7321 2 N 4.6760 8.2740 117.8236 52.2189 39.1532 174.8418 3 L 4.7782 8.0214 123.3480 52.0049 44.0494 174.6832 4 P 4.5383 0.0000 0.0000 61.7298 32.1279 174.9727 5 P 4.2693 0.0000 0.0000 64.7371 31.6361 176.6992 6 G 3.7062 7.8053 108.0456 45.3689 0.0000 171.1317 7 N 4.5703 8.0630 115.8971 51.1851 40.0812 173.7218 8 Y 4.8436 7.9287 112.3027 57.8769 38.4733 177.4051 9 K 4.1543 9.1714 122.4204 58.8785 32.2238 177.5500 10 K 4.6899 7.5921 115.5685 53.3252 34.8056 173.9909 11 P 4.6802 0.0000 0.0000 63.2715 32.2601 174.9775 12 K 4.9147 9.4401 119.2053 55.0443 37.4849 174.9409 13 L 4.8600 9.0214 121.2119 53.2786 44.5298 176.4240 14 L 4.9497 8.5944 123.9133 53.6699 42.0753 173.8638 15 Y 4.8717 9.2767 125.8430 57.2439 40.4405 173.2396 16 C 4.4073 8.5162 128.1043 57.5323 32.5796 174.4647 17 S 3.9317 7.9184 121.5667 61.0013 62.7941 175.2581 18 N 4.1651 8.1721 119.0121 56.1876 38.6662 175.3436 19 G 3.9453 7.4700 102.7539 44.5975 0.0000 172.5892 20 G 3.3835 7.6910 106.5835 46.4459 0.0000 173.6303 21 H 4.7084 7.4504 115.3987 54.0080 31.4751 174.0648 22 F 5.3530 8.7133 120.2694 55.8538 40.8264 175.3014 23 L 4.5879 8.9436 125.7912 55.4046 43.2904 175.6239 24 R 4.9279 9.5378 126.0366 54.6615 33.5839 173.9106 25 I 4.7172 8.3037 127.1345 59.3239 38.4999 175.6536 26 L 4.0829 8.6210 127.6847 53.4869 42.3144 176.8792 27 P 4.1739 0.0000 0.0000 65.9597 31.2584 177.3002 28 D 4.5045 7.9408 114.0537 53.8020 39.6620 176.9703 29 G 4.0758 8.5583 110.4893 45.2010 0.0000 174.0196 30 T 4.4638 8.1515 110.3247 61.1820 69.7455 173.8187 31 V 4.9611 7.8274 121.8570 61.4078 34.9782 174.7865 32 D 4.5623 8.5102 124.3946 53.2275 43.2056 174.2197 33 G 5.0622 8.5644 104.6070 45.2661 0.0000 172.2348 34 T 4.9857 8.3786 114.5858 60.4411 71.0440 174.4908 35 R 4.0580 8.7968 124.4671 56.6459 30.8965 176.4378 36 D 4.6624 8.0926 119.1255 53.2322 40.0514 176.8426 37 R 3.8441 8.7412 126.6658 58.2571 30.2130 177.9514 38 S 4.4749 8.3647 111.4021 57.9903 63.6929 174.1339 39 D 4.4122 7.9436 121.6415 55.0752 41.3185 175.7625 40 Q 4.4623 8.5205 123.0041 56.4329 29.2156 175.6966 41 H 4.9230 9.6447 116.9955 55.5212 29.3703 174.9553 42 I 4.5648 7.1392 109.3298 59.7349 38.5192 175.2353 43 Q 4.2415 7.8418 121.8732 55.7000 29.6921 174.6476 44 L 5.1756 8.9576 124.8858 52.7840 45.3060 175.3347 45 Q 4.7688 9.3399 125.0690 54.5479 30.7617 174.4113 46 L 5.5249 8.8489 126.1360 52.8808 44.2160 176.0449 47 S 4.5298 8.0099 114.4984 56.5278 66.6685 172.7231 48 A 4.2444 8.2041 124.9166 50.7646 19.1308 175.3993 49 E 4.3333 8.7141 119.7825 55.9133 29.3694 180.3924 50 G 3.7910 8.7984 123.4424 45.5607 0.0000 171.9873 51 G 3.8136 8.4794 108.6180 47.0378 0.0000 174.3009 52 G 3.9381 9.1644 113.4899 45.3322 0.0000 171.9572 53 E 5.1744 7.8894 119.4522 55.0243 32.1964 175.4954 54 V 5.2810 8.7267 114.8605 59.7010 37.1583 173.4289 55 Y 5.5932 7.9452 116.9571 56.5885 41.2405 175.3907 56 I 4.6078 8.5582 122.2083 59.5590 40.4581 174.1547 57 K 4.7601 8.7698 129.0321 53.9661 35.3650 175.1660 58 S 4.5716 8.8712 123.1416 58.7566 62.6806 174.9016 59 T 3.9138 8.6146 118.0130 64.1517 68.8572 175.9335 60 E 4.0659 8.3333 122.9162 58.4166 29.8723 176.9692 61 T 4.3592 7.9840 105.8016 60.6204 70.2378 175.3119 62 G 3.8415 8.2374 110.1150 45.2467 0.0000 173.8753 63 Q 4.3741 7.5397 119.5435 56.2646 30.1090 174.8291 64 Y 4.6393 9.1986 120.6273 56.1952 40.2927 175.0440 65 L 4.3937 9.3177 126.4681 55.3577 43.5382 175.5358 66 A 5.1191 8.6232 125.8361 50.9749 23.2508 174.4077 67 M 5.4285 8.5779 119.6092 53.8240 34.7148 175.7248 68 D 5.0935 9.6412 126.5221 52.5292 41.0359 176.9566 69 T 3.9876 8.5522 112.9204 64.7760 67.2516 174.0311 70 D 4.8033 8.6875 119.6287 53.9910 41.1318 177.1677 71 G 3.4053 8.6853 107.8962 45.1271 0.0000 173.0419 72 L 4.7712 7.7659 119.7471 53.3818 43.3907 176.0692 73 L 4.9990 8.5713 123.6311 55.0921 42.7129 175.6311 74 Y 4.9704 9.2285 120.1554 55.9198 42.1646 173.6292 75 G 4.1976 8.9039 108.5378 45.1538 0.0000 173.2646 76 S 4.9614 9.1069 121.5808 56.9023 63.8678 175.0824 77 Q 4.2249 8.9630 127.3686 58.2608 29.3150 175.9904 78 T 4.6899 7.4743 105.7558 58.4320 71.8233 171.5205 79 P 3.5229 0.0000 0.0000 62.3629 31.9122 175.1794 80 N 4.9744 7.9897 118.0080 50.9914 40.8112 174.5931 81 E 3.9372 8.6680 114.8767 58.9878 29.7230 178.2412 82 E 4.1929 8.7102 118.6842 57.7426 29.7883 177.3945 83 C 4.9672 7.9282 115.2381 59.0217 29.0311 173.3666 84 L 4.7080 7.2052 120.6557 53.7942 42.8168 175.8479 85 F 5.2226 8.9644 121.2967 55.6320 43.5930 174.2718 86 L 4.7820 9.2653 122.8402 53.7285 42.6974 175.5241 87 E 4.5317 8.9432 127.0382 55.3631 30.1400 175.7438 88 R 4.8167 8.5811 125.3689 54.0825 34.8093 174.6571 89 L 4.7874 8.6805 123.5219 55.1486 43.2506 175.7461 90 E 4.7068 8.9747 123.9894 55.3116 33.6274 174.8615 91 E 4.0074 9.7032 123.6413 57.8082 27.3210 174.1985 92 N 4.3282 8.5230 110.6241 54.0850 36.6074 174.0827 93 H 4.8314 8.4747 116.2049 57.5875 36.9718 173.3676 94 Y 4.7258 7.8284 116.0469 57.3356 40.2001 173.7975 95 N 5.5984 9.6256 118.3670 51.9695 41.2336 174.5502 96 T 5.2999 8.8358 112.5677 60.1795 73.0613 172.5053 97 Y 5.0964 8.7076 119.2116 56.6377 41.6548 174.1481 98 I 4.7198 8.5803 125.8465 59.1283 39.6884 175.3252 99 S 3.9698 9.0591 122.5323 58.5960 62.4280 173.9225 100 K 3.9692 8.8423 129.5493 59.3893 32.2222 178.6741 101 K 3.7876 7.9299 118.1124 59.0005 32.2871 176.5421 102 H 5.3565 8.3635 114.7015 54.1535 29.5946 175.7326 103 A 3.9469 7.7302 125.8864 55.1894 18.5414 180.8134 104 E 3.8977 8.1156 113.2708 58.6458 29.6094 178.3193 105 K 4.2548 7.6725 116.8496 55.1632 32.7822 175.8198 106 N 3.8467 7.8270 115.3240 53.9836 36.4831 175.0101 107 W 5.0166 7.6805 117.5986 56.1570 30.8320 177.7054 108 F 5.4139 9.2998 124.2899 55.7369 40.9766 175.5957 109 V 4.1085 8.9266 121.0020 62.7206 32.6690 175.1431 110 G 4.4610 8.6219 112.7184 45.2380 0.0000 171.4697 111 L 5.1478 8.5594 122.4215 52.5479 45.0644 177.0522 112 K 4.2519 8.8705 123.2004 55.1134 33.2311 178.2964 113 K 3.9449 8.3889 119.3967 59.4431 31.9276 178.0363 114 N 4.5178 8.0376 113.6534 52.8597 37.7519 175.8183 115 G 3.5178 8.1907 108.3634 45.3789 0.0000 173.2299 116 S 4.9014 7.9955 114.6725 56.4995 64.7211 173.6291 117 C 4.7733 8.3376 120.1430 60.0276 28.6354 173.4249 118 K 4.3671 8.8709 121.7973 55.7326 33.1271 176.6670 119 R 4.0861 8.5142 123.2508 55.8054 31.4105 177.2114 120 G 3.2140 8.7014 115.4245 48.2912 0.0000 174.2740 121 P 4.2060 0.0000 0.0000 64.2852 31.4325 177.6213 122 R 4.2483 7.8111 115.7223 56.6085 30.3735 176.4015 123 T 5.0794 7.5490 108.2691 59.9347 70.7311 173.5586 124 H 4.7250 7.9607 115.0415 55.0115 30.4413 173.1570 125 Y 3.9976 8.7941 118.6584 60.1617 38.0442 177.2445 126 G 4.0515 9.1101 111.6437 45.2758 0.0000 173.5216 127 Q 4.4038 7.5008 119.0816 54.6616 30.3084 176.9056 128 K 3.8690 8.2429 118.9346 58.3277 32.9426 179.2919 129 A 4.0437 8.0848 121.4523 54.0002 18.2929 178.5986 130 I 4.4346 7.1495 105.7646 60.5817 38.3046 175.3558 131 L 4.3443 7.3115 123.3135 54.1320 42.5954 175.8766 132 F 5.2213 9.6706 122.7392 55.6163 43.4481 174.3876 133 L 5.2942 9.3253 121.0742 52.3590 44.8107 174.1197 134 P 5.1921 0.0000 0.0000 62.6330 32.2370 175.7033 135 L 4.9268 9.2579 124.3001 51.9365 44.9464 174.4792 136 P 4.6757 0.0000 0.0000 62.8346 32.1798 176.3574 137 V 4.1095 8.1466 115.5082 59.9980 32.9245 176.5918 138 S 4.2359 8.6463 117.5820 58.9641 62.5463 174.2402 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 1D H 8.44 4.77 0.00 3.16 3.36 0.00 5.62 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E H 7.86 4.86 0.00 3.26 3.25 0.00 5.71 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F H 9.16 4.57 0.00 3.32 3.39 0.00 5.66 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 1G F 8.42 4.77 0.00 2.92 3.07 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 0.00 0.00 0.00 2 N 8.27 4.68 0.00 2.96 2.79 0.00 0.00 6.88 6.74 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 3 L 8.02 4.78 0.00 1.48 1.42 0.70 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.54 0.00 2.16 2.11 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 5 P 0.00 4.27 0.00 2.17 2.19 0.00 3.74 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 1.95 1.93 0.00 6 G 7.81 3.71 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 0.00 0.00 0.00 7 N 8.06 4.57 0.00 2.65 2.67 0.00 0.00 5.86 7.55 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 8 Y 7.93 4.84 0.00 3.03 3.21 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 9 K 9.17 4.15 0.00 1.79 1.89 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.52 7.81 10 K 7.59 4.69 0.00 1.72 1.69 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.39 7.81 11 P 0.00 4.68 0.00 2.05 2.04 0.00 3.71 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 12 K 9.44 4.91 0.00 1.62 1.74 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.61 7.81 13 L 9.02 4.86 0.00 1.60 1.53 0.48 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.59 4.95 0.00 1.59 1.60 0.37 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 9.28 4.87 0.00 3.43 3.21 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 16 C 8.52 4.41 0.00 2.45 2.46 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 17 S 7.92 3.93 0.00 3.89 4.11 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 0.00 0.00 0.00 18 N 8.17 4.17 0.00 2.52 2.67 0.00 0.00 6.72 7.98 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 19 G 7.47 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 7.69 3.38 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 0.00 21 H 7.45 4.71 0.00 3.01 3.23 0.00 5.80 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 22 F 8.71 5.35 0.00 3.06 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 23 L 8.94 4.59 0.00 1.86 1.54 0.96 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 24 R 9.54 4.93 0.00 1.90 2.05 0.00 3.20 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.82 0.00 25 I 8.30 4.72 1.85 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 1.18 0.74 0.89 0.00 0.00 26 L 8.62 4.08 0.00 1.90 1.52 0.91 0.68 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 27 P 0.00 4.17 0.00 1.99 2.12 0.00 3.52 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.97 0.00 28 D 7.94 4.50 0.00 2.79 2.77 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 29 G 8.56 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.15 4.46 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 1.33 0.00 0.00 31 V 7.83 4.96 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 0.92 0.00 0.00 0.95 0.00 0.00 32 D 8.51 4.56 0.00 2.89 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 33 G 8.56 5.06 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 34 T 8.38 4.99 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 1.37 0.00 0.00 35 R 8.80 4.06 0.00 1.83 1.92 0.00 3.17 0.00 0.00 3.04 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.36 0.00 36 D 8.09 4.66 0.00 2.86 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.74 3.84 0.00 1.88 1.92 0.00 3.36 0.00 0.00 3.59 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.89 0.00 38 S 8.36 4.47 0.00 3.95 3.97 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 39 D 7.94 4.41 0.00 2.79 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.52 4.46 0.00 1.89 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.23 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 41 H 9.64 4.92 0.00 3.25 3.43 0.00 5.76 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 42 I 7.14 4.56 1.87 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 1.40 0.92 1.03 0.00 0.00 43 Q 7.84 4.24 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.89 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 44 L 8.96 5.18 0.00 1.48 1.43 0.82 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 9.34 4.77 0.00 2.09 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 46 L 8.85 5.52 0.00 1.78 1.62 0.91 1.07 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 47 S 8.01 4.53 0.00 3.83 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 48 A 8.20 4.24 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 49 E 8.71 4.33 0.00 1.66 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 1.68 1.47 0.00 50 G 8.80 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.48 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 52 G 9.16 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 53 E 7.89 5.17 0.00 1.86 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 2.25 2.44 0.00 54 V 8.73 5.28 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 0.86 0.00 0.00 1.21 0.00 0.00 55 Y 7.95 5.59 0.00 3.04 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 56 I 8.56 4.61 1.71 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.90 0.67 0.00 0.00 57 K 8.77 4.76 0.00 1.22 1.46 0.00 1.14 0.00 0.00 0.61 0.00 0.00 2.55 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.98 1.00 7.81 58 S 8.87 4.57 0.00 3.86 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 59 T 8.61 3.91 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 1.20 0.00 0.00 60 E 8.33 4.07 0.00 1.94 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 2.14 2.33 0.00 61 T 7.98 4.36 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 1.27 0.00 0.00 62 G 8.24 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 63 Q 7.54 4.37 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 64 Y 9.20 4.64 0.00 2.76 2.77 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 65 L 9.32 4.39 0.00 1.61 1.49 0.82 0.30 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 66 A 8.62 5.12 0.63 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 0.00 0.00 67 M 8.58 5.43 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.72 0.00 68 D 9.64 5.09 0.00 2.87 2.77 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 69 T 8.55 3.99 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 1.26 0.00 0.00 70 D 8.69 4.80 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 71 G 8.69 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 7.77 4.77 0.00 1.88 1.63 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.57 5.00 0.00 1.58 1.63 0.92 0.97 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 74 Y 9.23 4.97 0.00 2.96 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 75 G 8.90 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 76 S 9.11 4.96 0.00 3.76 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 8.96 4.22 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.55 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 78 T 7.47 4.69 4.15 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 1.21 0.00 0.00 79 P 0.00 3.52 0.00 1.49 0.49 0.00 3.46 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.52 0.00 80 N 7.99 4.97 0.00 2.89 2.89 0.00 0.00 6.01 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 81 E 8.67 3.94 0.00 2.08 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 0.00 2.33 2.25 0.00 82 E 8.71 4.19 0.00 2.31 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 0.00 2.39 2.34 0.00 83 C 7.93 4.97 0.00 3.09 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 84 L 7.21 4.71 0.00 1.58 1.45 0.84 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.96 5.22 0.00 3.10 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 86 L 9.27 4.78 0.00 1.55 1.62 0.88 1.04 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 87 E 8.94 4.53 0.00 2.15 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 2.20 1.91 0.00 88 R 8.58 4.82 0.00 1.80 1.81 0.00 3.06 0.00 0.00 2.86 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.66 0.00 89 L 8.68 4.79 0.00 1.65 1.69 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.97 4.71 0.00 2.25 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 91 E 9.70 4.01 0.00 2.42 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 0.00 2.30 2.39 0.00 92 N 8.52 4.33 0.00 2.83 2.88 0.00 0.00 6.86 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 93 H 8.47 4.83 0.00 2.85 2.94 0.00 5.94 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 7.83 4.73 0.00 3.06 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 95 N 9.63 5.60 0.00 3.02 2.61 0.00 0.00 6.93 6.91 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 96 T 8.84 5.30 4.54 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 0.00 0.00 1.36 0.00 0.00 97 Y 8.71 5.10 0.00 2.74 2.77 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 98 I 8.58 4.72 1.72 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.25 0.63 0.65 0.00 0.00 99 S 9.06 3.97 0.00 4.03 4.08 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 0.00 0.00 0.00 100 K 8.84 3.97 0.00 1.74 1.69 0.00 1.73 0.00 0.00 1.49 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.33 7.81 101 K 7.93 3.79 0.00 1.75 1.68 0.00 1.48 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.29 1.01 7.81 102 H 8.36 5.36 0.00 2.94 2.01 0.00 5.69 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 0.00 103 A 7.73 3.95 1.35 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 0.00 104 E 8.12 3.90 0.00 2.03 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 0.00 2.21 2.16 0.00 105 K 7.67 4.25 0.00 1.05 1.84 0.00 1.32 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.30 1.13 7.81 106 N 7.83 3.85 0.00 2.95 2.84 0.00 0.00 6.88 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 0.00 107 W 7.68 5.02 0.00 3.31 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 F 9.30 5.41 0.00 2.85 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 0.00 109 V 8.93 4.11 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 0.63 0.00 0.00 0.50 0.00 0.00 110 G 8.62 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 0.00 0.00 0.00 0.00 111 L 8.56 5.15 0.00 1.46 1.44 1.02 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.87 4.25 0.00 1.94 1.67 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.34 7.81 113 K 8.39 3.94 0.00 1.70 1.84 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.45 7.81 114 N 8.04 4.52 0.00 2.78 2.89 0.00 0.00 6.16 7.00 0.00 0.00 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 G 8.19 3.52 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 0.00 116 S 8.00 4.90 0.00 3.99 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 C 8.34 4.77 0.00 2.88 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 0.00 118 K 8.87 4.37 0.00 1.57 1.68 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.33 7.81 119 R 8.51 4.09 0.00 1.78 1.61 0.00 3.23 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.48 0.00 120 G 8.70 3.21 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 0.00 0.00 0.00 121 P 0.00 4.21 0.00 1.89 2.17 0.00 3.02 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 122 R 7.81 4.25 0.00 1.84 1.91 0.00 3.29 0.00 0.00 3.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 123 T 7.55 5.08 4.38 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 1.27 0.00 0.00 124 H 7.96 4.72 0.00 3.37 3.52 0.00 5.47 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.79 4.00 0.00 3.12 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 0.00 126 G 9.11 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 0.00 127 Q 7.50 4.40 0.00 1.85 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.73 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 128 K 8.24 3.87 0.00 1.78 1.64 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.32 7.81 129 A 8.08 4.04 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 0.00 130 I 7.15 4.43 1.57 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.79 0.55 0.00 0.00 131 L 7.31 4.34 0.00 1.01 0.67 0.23 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 132 F 9.67 5.22 0.00 3.31 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 0.00 133 L 9.33 5.29 0.00 1.96 1.75 0.86 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 5.19 0.00 2.16 2.21 0.00 3.82 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 135 L 9.26 4.93 0.00 1.62 1.61 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.68 0.00 1.92 1.97 0.00 3.67 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 2.02 2.12 0.00 137 V 8.15 4.11 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 0.72 0.00 0.00 0.90 0.00 0.00 138 S 8.65 4.24 0.00 3.94 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