NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1C H 4.7915 8.4449 117.8352 56.2523 29.9862 172.9041 1D H 4.5845 8.7087 118.5473 55.7329 29.6482 172.7660 1E H 5.0656 7.5331 115.5006 53.7515 33.6607 171.8616 1F H 4.6826 8.8641 116.8941 55.8369 29.0673 174.3720 1G F 4.8549 8.4136 119.4093 57.8484 39.8974 174.0829 2 N 4.6366 8.5312 117.1912 52.3721 39.0540 174.4544 3 L 4.7712 8.0797 123.3518 52.0111 43.9623 174.6898 4 P 4.4793 0.0000 0.0000 61.6115 32.2029 174.0820 5 P 4.4224 0.0000 0.0000 62.1056 32.4967 176.2604 6 G 3.9723 9.0017 104.6109 45.4676 0.0000 172.5678 7 N 4.5161 7.8708 115.6361 51.4080 40.0580 174.2956 8 Y 4.9240 7.9868 116.9701 58.2610 38.6475 177.0725 9 K 4.1581 8.8412 123.0471 58.7019 32.2316 177.3510 10 K 4.7312 7.6118 115.2782 53.3155 35.5836 173.6704 11 P 4.8525 0.0000 0.0000 63.1493 32.6087 174.8175 12 K 4.6999 9.1928 119.2204 56.2973 36.7580 174.1379 13 L 4.9417 9.2343 119.9567 53.1316 44.4495 176.3773 14 L 5.0489 8.6471 122.7091 53.5525 43.2315 174.4536 15 Y 4.7800 9.2219 127.0632 56.4543 40.4929 173.8863 16 C 3.9499 8.6059 128.9578 57.8721 31.9236 174.4364 17 S 3.8236 7.9149 121.8611 60.1746 62.4597 174.9866 18 N 4.0767 7.3158 119.9678 55.5070 38.9058 175.1798 19 G 3.7891 7.6757 105.9786 44.8997 0.0000 173.6374 20 G 3.5902 7.6833 107.6872 43.8260 0.0000 172.9841 21 H 4.9006 7.3498 115.4891 53.8700 31.4676 174.0088 22 F 5.1527 8.8833 120.9357 56.2367 40.8360 175.1899 23 L 4.5445 9.1041 126.1877 55.3243 43.3152 175.6115 24 R 4.8895 9.3238 126.1218 54.6198 33.6958 173.8602 25 I 4.7752 8.2950 126.9017 59.4332 38.7306 175.7613 26 L 4.1280 9.0114 128.1659 53.4190 42.2931 176.8592 27 P 4.1571 0.0000 0.0000 65.7389 31.2698 177.3053 28 D 4.4966 7.9668 114.6575 53.6635 39.8300 177.0256 29 G 4.0543 8.4486 109.9056 45.3074 0.0000 173.9007 30 T 4.3233 8.5772 117.5364 63.2078 69.1431 173.6644 31 V 4.9170 7.9634 123.7855 61.2592 34.6105 174.6122 32 D 4.5716 8.4989 125.1944 53.0600 42.8152 174.1413 33 G 4.5740 8.5950 104.6040 45.3638 0.0000 172.2774 34 T 4.9856 8.9325 115.1630 60.3688 70.9568 174.8022 35 R 4.2284 8.8807 124.2569 57.0754 30.9637 176.4037 36 D 4.5336 8.3984 118.7700 53.8046 40.0973 176.5014 37 R 3.7258 8.6123 127.4984 57.9683 30.2861 177.0450 38 S 4.4476 8.5921 111.1657 58.4616 63.6652 174.0152 39 D 4.3672 7.7302 121.7777 55.1587 41.2146 176.0355 40 Q 4.3187 8.5437 123.4211 56.9932 29.3264 175.8934 41 H 4.9124 9.4656 116.6463 55.4566 29.0947 175.3938 42 I 4.5889 7.0425 110.1465 59.8785 38.6412 175.3899 43 Q 4.2335 7.8639 122.0329 55.7842 29.7389 174.7610 44 L 5.1781 8.9026 124.3477 52.7900 45.5465 175.3954 45 Q 4.8407 9.2382 124.6958 54.4634 30.8206 174.5974 46 L 5.0978 8.5984 126.7404 54.2457 43.3941 176.3135 47 S 4.5431 8.4684 114.5201 56.9539 66.6788 173.0281 48 A 4.6923 8.3744 122.9707 52.3443 20.3793 176.7569 49 E 4.1704 8.8502 120.0241 56.5328 29.7872 179.0317 50 S 4.5561 5.8100 115.6520 56.9051 64.7534 173.4544 51 V 3.8910 8.1991 121.4400 64.7371 31.5715 176.2498 52 G 3.9358 9.1581 114.3266 45.4332 0.0000 171.9287 53 E 5.1714 8.1720 119.6749 54.6476 32.2135 175.5955 54 V 4.8790 8.8828 116.0523 60.0020 36.7511 173.9238 55 Y 5.1782 8.8076 120.3245 56.5567 41.0978 175.2124 56 I 4.4077 8.6017 122.2280 59.6539 40.3274 174.0603 57 K 4.6462 8.6853 129.1090 54.0097 35.0235 175.1039 58 S 4.4227 8.7994 123.0866 58.5078 62.5703 174.8948 59 T 3.7941 8.4999 118.8908 64.6314 68.7788 175.9636 60 E 4.0558 8.3609 122.5827 58.4581 29.9006 177.0851 61 T 4.2883 7.9415 106.6646 60.8633 70.2607 175.5978 62 G 3.8021 8.2050 109.7554 45.0932 0.0000 173.5709 63 Q 4.4419 7.6565 118.5998 55.9865 30.3324 174.5565 64 Y 4.7805 8.8377 119.2082 55.8994 40.9572 175.2872 65 L 4.5231 8.9996 125.7131 55.4282 43.5145 175.5827 66 A 5.0991 8.6790 125.7037 50.7483 23.1696 174.3900 67 M 5.3214 8.7318 119.7217 53.8769 34.8037 175.7406 68 D 5.2746 9.6204 126.0863 51.7291 41.2944 176.9088 69 T 4.2566 8.5276 108.0309 63.7115 68.7231 174.4557 70 D 4.7147 8.4816 120.8790 54.1960 41.6325 176.8523 71 G 3.0912 8.5849 108.6298 44.7221 0.0000 172.4925 72 L 4.8821 7.9978 119.6595 52.6694 43.7202 176.3377 73 L 5.0372 8.5599 123.2441 55.3751 42.7600 175.5421 74 Y 4.9075 8.7669 118.6886 56.2949 41.8992 173.2478 75 G 4.2798 8.9252 108.4815 45.2085 0.0000 173.2084 76 S 5.0792 9.0570 120.6851 56.7483 64.0116 175.3322 77 Q 4.2282 9.0524 125.2181 58.1889 28.9244 176.4145 78 T 4.6160 7.5254 106.6654 58.8098 71.6413 172.0405 79 P 3.9445 0.0000 0.0000 61.4352 31.0712 174.1751 80 N 5.1244 8.0010 122.5195 50.7785 40.1687 174.2648 81 E 3.8535 8.8980 114.6735 59.8458 29.6986 177.6561 82 E 4.1373 8.7761 117.7463 57.6036 29.7373 177.3317 83 C 5.0880 7.8458 115.1362 58.6804 29.3356 173.3952 84 L 4.3101 7.2083 121.0962 53.5743 42.8923 175.6712 85 F 5.1782 8.8829 121.3562 55.5982 43.5520 174.2438 86 L 4.8781 9.1557 122.2906 53.6843 42.7765 175.2900 87 E 4.4842 8.8271 126.6129 55.0041 30.4184 175.5735 88 R 4.8105 8.5078 125.1020 54.0135 34.8593 174.5368 89 L 4.6842 8.6894 123.9276 55.3288 43.1025 175.8174 90 E 4.7204 9.2827 124.9446 55.2508 33.7289 174.6520 91 E 4.0311 9.7982 122.6208 57.6280 27.3636 174.2483 92 N 4.2987 8.3959 110.6652 54.1124 36.5237 174.0581 93 H 4.7700 8.3235 117.3489 57.4629 37.9428 173.4627 94 Y 4.6732 7.6976 116.1558 57.4553 40.1273 173.4669 95 N 5.6153 9.6306 117.9982 51.9552 41.3264 174.6117 96 T 5.2799 8.7561 112.5200 60.1485 73.0156 172.5166 97 Y 4.9167 8.5702 118.8081 56.5451 41.6736 174.2272 98 I 4.5759 8.6374 126.0544 59.0708 39.6455 175.3816 99 S 4.0234 8.8555 122.1170 58.7959 62.2368 174.1594 100 K 3.9897 8.7345 129.1728 59.3102 32.2753 178.7545 101 K 3.8385 7.9026 118.4063 58.9269 32.3230 176.5190 102 H 4.8510 8.2152 115.2279 54.0479 29.6163 176.1257 103 A 3.9657 7.7472 125.2352 55.1489 18.2615 180.5616 104 E 3.7490 7.9464 112.8668 58.1867 29.8208 178.1297 105 K 4.1104 7.5708 117.7372 55.5654 32.7845 175.7633 106 N 3.9451 7.5207 115.6444 53.9432 36.5266 174.6202 107 W 5.0303 7.7768 117.5787 55.8740 30.8943 177.0974 108 F 5.3634 9.1215 123.8570 55.4619 41.3775 175.7049 109 V 3.9197 8.9026 121.6911 63.0477 32.4463 175.2518 110 G 4.4904 8.5219 112.7697 45.4124 0.0000 171.5297 111 L 5.4281 8.4414 120.8606 52.4970 45.7058 176.9835 112 N 4.5872 9.0783 121.6194 51.7542 38.5512 176.0838 113 K 3.8554 8.4394 116.7501 59.3918 32.0264 178.2601 114 A 4.0957 7.9772 119.1949 52.7165 18.8714 177.8738 115 G 3.4272 8.3452 104.7177 45.2482 0.0000 172.7860 116 S 5.0569 8.3534 115.8703 56.2836 65.2100 173.7383 117 C 4.7042 8.6219 121.4528 60.1577 28.4842 173.7031 118 K 4.4020 8.7999 122.8126 55.6453 33.2408 176.8953 119 R 4.3111 8.3327 120.9307 55.1690 31.6357 177.7928 120 G 3.2723 8.6324 109.3027 47.7460 0.0000 174.4797 121 P 4.5001 0.0000 0.0000 64.2855 31.4056 177.8111 122 R 4.4355 7.7276 115.4183 55.3630 30.5790 176.0246 123 T 5.0306 7.1020 109.0108 59.7689 71.0995 173.3572 124 H 4.7946 7.9255 115.0404 54.9010 30.6032 173.0434 125 Y 3.9380 8.8072 118.4874 59.9857 38.1295 177.1208 126 G 4.0516 9.0120 111.2280 45.5056 0.0000 174.0276 127 Q 4.1832 7.3556 118.7159 55.3723 29.6679 177.0243 128 K 3.8517 8.2409 118.4053 58.3559 32.9323 179.3226 129 A 3.9793 8.0662 121.2852 53.9747 18.2641 178.4911 130 I 4.3972 7.1685 105.7022 60.4650 38.6233 175.2841 131 L 4.3760 7.3538 123.2864 53.9174 42.5802 175.7159 132 F 5.3893 9.3779 123.0052 55.5927 42.8616 174.6419 133 L 5.3518 9.1655 120.9188 52.3310 45.1026 174.1112 134 P 5.0560 0.0000 0.0000 62.7394 32.2113 175.6191 135 L 5.0998 9.3673 124.2773 51.6969 45.5929 174.3387 136 P 4.6432 0.0000 0.0000 62.6831 32.3506 176.8044 137 V 3.7216 8.1770 113.4378 61.8543 31.5380 176.2564 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 1C H 8.44 4.79 0.00 3.10 3.44 0.00 5.66 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 1D H 8.71 4.58 0.00 3.14 3.16 0.00 5.64 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 1E H 7.53 5.07 0.00 3.15 3.33 0.00 5.70 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F H 8.86 4.68 0.00 3.34 3.41 0.00 5.66 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1G F 8.41 4.85 0.00 2.93 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 2 N 8.53 4.64 0.00 2.98 2.79 0.00 0.00 6.87 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 8.08 4.77 0.00 1.48 1.41 0.60 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.48 0.00 2.17 2.12 0.00 3.69 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 5 P 0.00 4.42 0.00 2.17 2.08 0.00 3.70 0.00 0.00 3.64 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 9.00 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 0.00 0.00 0.00 7 N 7.87 4.52 0.00 2.59 2.64 0.00 0.00 5.90 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 7.99 4.92 0.00 3.03 3.19 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 0.00 9 K 8.84 4.16 0.00 1.82 1.90 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.55 7.81 10 K 7.61 4.73 0.00 1.71 1.69 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.39 7.81 11 P 0.00 4.85 0.00 2.06 2.05 0.00 3.78 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 12 K 9.19 4.70 0.00 1.99 1.97 0.00 1.37 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.65 7.81 13 L 9.23 4.94 0.00 1.71 1.70 0.43 0.59 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 14 L 8.65 5.05 0.00 1.57 1.62 0.35 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 9.22 4.78 0.00 3.26 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 16 C 8.61 3.95 0.00 2.43 2.42 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 17 S 7.91 3.82 0.00 4.08 4.10 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 18 N 7.32 4.08 0.00 2.50 2.56 0.00 0.00 6.84 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 7.68 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 20 G 7.68 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 0.00 0.00 0.00 21 H 7.35 4.90 0.00 3.03 3.16 0.00 5.81 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 8.88 5.15 0.00 3.06 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 23 L 9.10 4.54 0.00 1.85 1.54 0.96 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 24 R 9.32 4.89 0.00 1.92 2.04 0.00 3.28 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.82 0.00 25 I 8.30 4.78 1.84 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 1.18 0.73 0.89 0.00 0.00 26 L 9.01 4.13 0.00 1.84 1.52 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.16 0.00 1.99 2.10 0.00 3.54 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.87 0.00 28 D 7.97 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 8.45 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 30 T 8.58 4.32 4.34 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 1.22 0.00 0.00 31 V 7.96 4.92 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 0.84 0.00 0.00 0.94 0.00 0.00 32 D 8.50 4.57 0.00 2.86 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 33 G 8.60 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.93 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 1.38 0.00 0.00 35 R 8.88 4.23 0.00 1.90 2.00 0.00 3.23 0.00 0.00 3.09 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 36 D 8.40 4.53 0.00 2.81 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 8.61 3.73 0.00 1.88 1.89 0.00 3.26 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.99 0.00 38 S 8.59 4.45 0.00 3.94 3.93 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 39 D 7.73 4.37 0.00 2.82 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 40 Q 8.54 4.32 0.00 1.88 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.19 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 41 H 9.47 4.91 0.00 3.33 3.46 0.00 5.77 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.04 4.59 1.91 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.94 1.06 0.00 0.00 43 Q 7.86 4.23 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.88 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 44 L 8.90 5.18 0.00 1.60 1.44 0.82 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 9.24 4.84 0.00 2.08 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.86 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 46 L 8.60 5.10 0.00 1.73 1.39 0.91 1.08 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 47 S 8.47 4.54 0.00 3.91 3.93 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 48 A 8.37 4.69 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 49 E 8.85 4.17 0.00 1.75 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 2.16 2.33 0.00 50 S 5.81 4.56 0.00 4.26 3.83 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 51 V 8.20 3.89 2.34 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 0.93 0.00 0.00 1.04 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 8.17 5.17 0.00 2.07 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 2.22 2.29 0.00 54 V 8.88 4.88 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 0.62 0.00 0.00 1.18 0.00 0.00 55 Y 8.81 5.18 0.00 3.01 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 56 I 8.60 4.41 1.77 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.71 0.69 0.00 0.00 57 K 8.69 4.65 0.00 1.39 1.48 0.00 1.20 0.00 0.00 1.09 0.00 0.00 2.66 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.86 0.21 7.81 58 S 8.80 4.42 0.00 3.83 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 59 T 8.50 3.79 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 1.17 0.00 0.00 60 E 8.36 4.06 0.00 1.97 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 2.15 2.37 0.00 61 T 7.94 4.29 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 1.24 0.00 0.00 62 G 8.21 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 7.66 4.44 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.71 0.00 0.00 0.00 0.00 0.00 2.52 2.33 0.00 64 Y 8.84 4.78 0.00 2.90 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 65 L 9.00 4.52 0.00 1.64 1.52 0.81 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.68 5.10 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 M 8.73 5.32 0.00 2.22 2.26 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 2.56 2.64 0.00 68 D 9.62 5.27 0.00 2.96 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 69 T 8.53 4.26 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 1.34 0.00 0.00 70 D 8.48 4.71 0.00 2.65 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 71 G 8.58 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 0.00 0.00 0.00 72 L 8.00 4.88 0.00 1.93 1.60 0.87 0.35 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 73 L 8.56 5.04 0.00 1.56 1.61 0.88 0.86 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 8.77 4.91 0.00 3.01 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 75 G 8.93 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 0.00 0.00 0.00 0.00 76 S 9.06 5.08 0.00 3.71 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 77 Q 9.05 4.23 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.56 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 78 T 7.53 4.62 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 1.22 0.00 0.00 79 P 0.00 3.94 0.00 0.83 0.49 0.00 3.45 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.27 0.00 80 N 8.00 5.12 0.00 2.90 2.92 0.00 0.00 5.91 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 8.90 3.85 0.00 2.04 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 0.00 2.28 2.33 0.00 82 E 8.78 4.14 0.00 2.21 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 83 C 7.85 5.09 0.00 3.24 3.24 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 84 L 7.21 4.31 0.00 1.31 1.28 0.77 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.88 5.18 0.00 3.12 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 86 L 9.16 4.88 0.00 1.51 1.59 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.83 4.48 0.00 2.13 1.92 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 2.18 1.93 0.00 88 R 8.51 4.81 0.00 1.75 1.78 0.00 3.17 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 1.45 1.60 0.00 89 L 8.69 4.68 0.00 1.73 1.60 1.01 1.02 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 90 E 9.28 4.72 0.00 2.20 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 2.29 2.44 0.00 91 E 9.80 4.03 0.00 2.42 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 2.30 2.40 0.00 92 N 8.40 4.30 0.00 2.84 2.89 0.00 0.00 6.88 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 8.32 4.77 0.00 2.85 2.88 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 7.70 4.67 0.00 2.99 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 95 N 9.63 5.62 0.00 3.02 2.60 0.00 0.00 6.96 7.01 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 96 T 8.76 5.28 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 1.35 0.00 0.00 97 Y 8.57 4.92 0.00 2.74 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 98 I 8.64 4.58 1.66 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.28 0.40 0.64 0.00 0.00 99 S 8.86 4.02 0.00 4.09 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 0.00 100 K 8.73 3.99 0.00 1.69 1.66 0.00 1.60 0.00 0.00 1.46 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.31 7.81 101 K 7.90 3.84 0.00 1.76 1.65 0.00 1.80 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.99 1.30 7.81 102 H 8.22 4.85 0.00 3.13 2.43 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 7.75 3.97 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 0.00 104 E 7.95 3.75 0.00 1.79 1.92 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 2.15 2.12 0.00 105 K 7.57 4.11 0.00 0.79 1.07 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.44 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.96 0.83 7.81 106 N 7.52 3.95 0.00 3.01 3.07 0.00 0.00 6.90 7.82 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 0.00 107 W 7.78 5.03 0.00 3.31 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 0.00 108 F 9.12 5.36 0.00 2.89 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 0.00 109 V 8.90 3.92 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.43 0.00 0.00 110 G 8.52 4.49 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 0.00 111 L 8.44 5.43 0.00 1.47 1.44 1.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 112 N 9.08 4.59 0.00 2.85 2.92 0.00 0.00 6.69 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 K 8.44 3.86 0.00 1.73 1.89 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.34 7.81 114 A 7.98 4.10 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 0.00 115 G 8.35 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 0.00 0.00 0.00 116 S 8.35 5.06 0.00 3.82 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 0.00 117 C 8.62 4.70 0.00 2.85 2.87 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 0.00 0.00 0.00 118 K 8.80 4.40 0.00 1.57 1.69 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.37 7.81 119 R 8.33 4.31 0.00 1.72 1.59 0.00 3.05 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 120 G 8.63 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 4.50 0.00 1.95 2.21 0.00 3.13 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.86 0.00 122 R 7.73 4.44 0.00 1.85 1.93 0.00 3.29 0.00 0.00 3.27 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 123 T 7.10 5.03 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 1.39 0.00 0.00 124 H 7.93 4.79 0.00 3.44 3.52 0.00 5.67 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.81 3.94 0.00 3.17 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 G 9.01 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 7.36 4.18 0.00 1.79 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.70 0.00 0.00 0.00 0.00 0.00 2.14 1.95 0.00 128 K 8.24 3.85 0.00 1.73 1.63 0.00 1.56 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.26 7.81 129 A 8.07 3.98 1.19 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 0.00 0.00 0.00 130 I 7.17 4.40 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 1.26 0.82 0.45 0.00 0.00 131 L 7.35 4.38 0.00 0.94 0.56 0.35 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 132 F 9.38 5.39 0.00 3.39 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 L 9.17 5.35 0.00 1.91 1.73 1.03 1.21 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 0.00 134 P 0.00 5.06 0.00 2.17 2.21 0.00 3.81 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 9.37 5.10 0.00 1.67 1.62 0.95 0.83 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 0.00 136 P 0.00 4.64 0.00 2.06 2.05 0.00 3.78 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 1.98 2.00 0.00 137 V 8.18 3.72 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 0.64 0.00 0.00 0.91 0.00 0.00