NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1C H 4.7654 8.4449 117.8341 56.2432 29.9816 172.8549 1D H 4.6595 8.7132 118.4406 55.5011 29.7227 172.3905 1E H 5.0992 7.5540 115.7924 53.6923 33.5581 172.0107 1F H 4.6876 8.8708 116.9882 55.7877 29.1646 174.3705 1G F 4.8825 8.4300 119.5144 57.8471 39.8401 174.1498 2 N 4.6841 8.2649 117.2637 52.1897 39.1947 174.4820 3 L 4.8033 8.0736 123.3378 51.9502 44.0575 174.7186 4 P 4.4734 0.0000 0.0000 61.6608 32.2339 174.6356 5 P 4.3620 0.0000 0.0000 62.4179 33.0181 176.1114 6 G 3.9122 9.1002 105.7886 45.5349 0.0000 171.1489 7 N 4.3219 7.8683 113.4616 52.1046 40.0181 174.2302 8 Y 4.8835 7.9912 116.6602 58.2681 38.4313 177.7494 9 K 4.2037 8.5974 121.9281 58.6997 32.3114 177.2306 10 K 4.7137 7.4852 115.6133 53.4621 35.9566 174.1126 11 P 4.8649 0.0000 0.0000 63.3358 32.4281 174.7292 12 K 4.6616 9.2624 118.6672 56.4695 36.4096 174.2609 13 L 5.3375 9.2373 120.8060 52.7651 44.3914 176.0429 14 L 5.2242 8.8819 121.1942 53.5283 43.8197 174.6725 15 Y 4.8920 9.3239 126.7976 56.1637 40.6789 173.8224 16 C 3.9589 8.4087 128.6561 57.9983 32.2314 174.3836 17 S 3.9880 8.0257 121.4422 60.6609 62.7402 175.3564 18 N 4.1886 7.9201 119.1730 56.1208 38.6246 175.4134 19 G 3.9440 7.3909 101.5023 44.2300 0.0000 172.4878 20 G 3.1421 7.6359 107.3792 44.2927 0.0000 173.2475 21 H 4.8507 7.3336 115.2345 53.9010 31.5767 174.1487 22 F 5.3086 9.1389 120.7563 56.1428 40.6005 175.3262 23 L 4.6004 9.4269 126.3179 55.6964 43.2378 175.7369 24 R 5.1473 9.5099 125.2554 54.9539 34.1684 173.7712 25 I 4.9825 8.4171 125.4566 59.3872 39.6003 175.6803 26 L 4.0757 8.8124 127.8217 53.5178 42.2046 176.8435 27 P 4.2224 0.0000 0.0000 65.7111 31.2669 177.2129 28 D 4.5534 8.0126 114.8703 53.4308 39.7663 177.1384 29 G 4.0838 8.6049 110.7122 45.2036 0.0000 173.9363 30 T 4.2586 8.2164 111.1260 61.4103 69.4634 173.5174 31 V 4.8364 8.0049 124.0944 61.3283 33.9621 174.3885 32 D 4.6352 8.6158 124.9105 53.0752 42.7949 174.0675 33 G 4.6510 8.5857 104.7468 45.3087 0.0000 172.4404 34 T 5.0138 9.0410 116.0896 60.3966 70.9067 174.6891 35 R 4.4574 8.8884 124.4080 56.8678 31.0977 176.3447 36 D 4.5488 8.2176 118.7979 53.5065 40.1281 176.5113 37 R 3.6945 8.5418 127.3690 57.8302 30.2587 176.9719 38 S 4.4437 8.2729 111.0185 58.6241 63.6365 174.0529 39 D 4.3775 7.6603 121.5458 55.0692 41.3117 175.7761 40 Q 4.3353 8.4481 123.0586 56.3798 29.2964 175.6003 41 H 4.8291 9.2846 116.9251 55.6719 29.3822 174.4371 42 I 4.7213 7.2425 109.8243 59.7111 39.3397 174.4560 43 Q 4.5056 7.4450 123.4035 55.1238 30.1177 174.5817 44 F 5.2320 9.2026 123.1206 55.5530 43.2163 174.1073 45 Q 4.8927 9.3188 124.0177 54.5288 30.6182 174.4590 46 L 5.0562 8.6249 126.8883 54.0540 43.3552 176.3502 47 S 4.6357 8.5670 115.0589 56.7568 66.7965 172.6909 48 A 5.2882 8.4843 122.2803 51.5514 21.0769 175.8106 49 E 4.1365 9.0297 120.3035 56.5695 29.6761 178.0018 50 S 4.6348 5.8100 112.8601 56.5566 65.3209 173.7311 51 V 3.7053 8.2961 121.1426 65.1978 31.3423 176.4014 52 G 3.9529 9.2573 114.6875 45.2028 0.0000 171.7999 53 E 5.1632 8.2851 119.8529 54.6673 32.2401 175.6011 54 V 4.8163 8.8886 116.1385 60.0140 36.8834 173.8185 55 Y 5.0586 8.9523 120.5239 56.5028 41.0511 175.1858 56 I 4.3958 8.5495 122.5455 59.5703 40.3099 174.0963 57 K 4.8235 8.5503 129.1107 53.9482 34.8993 175.2209 58 S 4.3101 9.0645 123.6407 58.8677 62.6179 175.0562 59 T 3.8310 8.4947 118.4742 64.6833 68.8620 176.0775 60 E 3.9650 8.2101 122.5708 58.9890 29.8897 177.3460 61 T 4.1576 7.8109 106.6549 61.3887 69.7250 175.9314 62 G 3.8065 8.1478 109.4096 45.0496 0.0000 173.4850 63 Q 4.4689 7.7444 118.9117 55.9345 30.3377 174.5985 64 Y 4.9821 9.0225 119.5178 56.0984 40.6708 175.2084 65 L 4.4260 8.9929 125.5002 55.3579 43.5059 175.6156 66 A 5.1104 8.6003 125.6886 50.6227 23.1793 174.4130 67 M 5.3917 8.6181 119.6139 53.8702 34.9038 175.6160 68 D 5.1626 9.5057 126.8221 52.3309 41.1915 177.0315 69 T 4.2482 8.5721 108.2134 63.7090 68.5680 174.3533 70 D 4.6988 8.6078 121.3514 54.0333 41.5085 177.2370 71 G 3.3087 8.6940 108.9514 45.0355 0.0000 173.5414 72 L 4.6354 7.6629 119.3161 53.7632 43.0084 175.4576 73 L 5.4279 8.1416 121.0207 54.1735 43.6360 175.2746 74 Y 4.9528 8.6163 118.7567 56.1535 41.8478 173.3996 75 G 4.2726 8.9099 108.4422 45.3531 0.0000 173.1983 76 S 5.1451 9.0324 119.5307 56.5613 64.8590 175.0177 77 Q 4.4773 9.0521 124.2515 57.5579 29.1085 176.1950 78 T 4.6454 7.6515 107.5431 59.0408 71.7757 172.8844 79 P 3.9538 0.0000 0.0000 60.5868 30.1196 174.4013 80 N 4.7166 7.2953 119.6177 52.0188 39.9246 176.1068 81 E 3.8859 8.6582 115.1484 59.4615 29.5809 177.5922 82 E 4.1477 8.8935 118.3398 57.2703 29.8785 177.4766 83 T 4.7591 7.8961 108.8000 60.5479 69.8725 173.7257 84 L 4.2098 7.2114 123.8286 53.9068 43.1265 175.5942 85 F 5.2223 8.7524 122.0724 55.5093 43.3294 174.4111 86 L 4.8678 9.2545 122.7332 53.8314 42.7642 175.4548 87 E 4.6215 9.0065 127.0156 55.2095 30.3670 175.6439 88 R 4.8338 8.5287 125.3415 54.0217 34.7254 174.6667 89 L 4.6629 8.6920 124.1685 55.2558 43.1998 175.8567 90 E 4.6776 9.1149 125.1450 55.2715 33.5872 174.9002 91 E 3.8928 9.6402 124.1014 57.8135 27.2516 174.1839 92 N 4.3117 8.5249 110.7838 54.1417 36.5993 174.0024 93 H 4.8443 8.3706 116.3389 57.7340 37.1744 173.5730 94 Y 4.6765 7.7295 116.0468 57.6760 39.9329 173.5153 95 N 5.5686 9.7696 118.1014 51.8727 41.4535 174.4872 96 T 5.2337 8.9610 112.8056 60.1284 72.7685 172.6769 97 Y 5.0328 8.6170 119.3579 56.6068 41.3842 174.2011 98 I 4.6696 8.5346 125.9392 59.0733 39.7287 175.4878 99 S 4.1101 8.8009 122.2419 58.5888 62.4627 174.0357 100 K 3.9797 8.7502 129.2549 59.3821 32.2955 178.7057 101 K 3.7816 7.9100 118.2190 59.0995 32.2000 176.7892 102 H 5.2752 8.3150 114.2401 54.3741 29.4771 176.3083 103 A 3.9389 7.7194 125.5629 55.3340 18.4871 180.7510 104 E 3.8633 8.0079 112.6321 58.2765 29.7773 178.2193 105 K 4.0477 7.6462 117.9139 55.7636 32.8093 175.7940 106 N 3.9298 7.5691 115.3307 53.9347 36.2835 174.7041 107 W 5.0012 7.7871 118.0333 55.8927 30.8023 176.9978 108 F 5.3724 9.1868 124.0549 55.6021 41.2435 175.6922 109 V 4.0298 8.8221 122.0386 62.8044 31.9480 175.5813 110 G 4.6893 8.6542 112.9162 45.1509 0.0000 171.5544 111 L 5.3073 8.1505 120.1071 52.5462 45.4362 176.7110 112 K 4.2803 9.0953 121.7831 55.1281 33.2817 178.4850 113 K 3.9248 8.3583 118.9666 59.2756 31.8990 177.9995 114 N 4.5379 8.0371 113.9161 52.7286 37.8287 175.9411 115 G 3.5552 8.1077 109.0433 45.1857 0.0000 173.8250 116 S 4.6084 8.3258 115.3357 57.1669 64.1529 173.7993 117 V 4.0112 8.1987 122.4871 63.2705 32.0960 174.9977 118 K 4.4072 8.8587 129.6697 54.5917 33.0941 176.1469 119 R 3.8930 8.7534 126.9194 56.7541 30.8512 177.7615 120 G 3.4428 8.7466 113.5888 48.3089 0.0000 174.1935 121 P 4.2398 0.0000 0.0000 64.3807 31.3516 177.4731 122 R 4.3153 7.9718 115.8033 56.4255 30.5779 176.3968 123 T 5.1145 7.6525 108.2493 59.8410 70.7080 173.3306 124 H 4.7165 7.8161 115.2194 55.0586 30.3433 173.2144 125 Y 3.9491 8.7509 118.2981 59.9339 38.1207 176.8919 126 G 4.0563 8.9826 111.2577 45.6147 0.0000 174.0563 127 Q 4.1600 7.4060 118.5562 55.5302 29.6199 176.8530 128 K 3.9085 8.1656 117.7475 57.9014 33.1120 179.2717 129 A 3.8197 7.7381 121.7294 54.4025 18.3359 178.4340 130 I 4.3546 7.2139 106.6744 61.0767 38.5337 175.2970 131 L 4.2955 7.2358 123.3822 53.7848 42.6037 175.7690 132 W 5.3799 9.2045 123.8846 54.7084 33.1915 174.5067 133 L 5.2742 9.3771 124.8320 52.6270 44.5567 173.6945 134 P 5.1694 0.0000 0.0000 62.8648 32.2154 175.6474 135 L 5.1251 9.2668 123.7463 51.8267 45.6140 174.3304 136 P 4.6906 0.0000 0.0000 62.7544 32.3013 176.7510 137 V 3.7659 8.2355 113.7614 61.8646 31.5532 176.1999 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 4.77 0.00 3.09 3.43 0.00 5.65 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 4.66 0.00 3.13 3.18 0.00 5.64 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E H 7.55 5.10 0.00 3.14 3.29 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 8.87 4.69 0.00 3.33 3.41 0.00 5.66 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 1G F 8.43 4.88 0.00 2.92 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 8.26 4.68 0.00 2.96 2.78 0.00 0.00 6.86 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 8.07 4.80 0.00 1.47 1.41 0.57 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.47 0.00 2.17 2.13 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 5 P 0.00 4.36 0.00 2.17 2.11 0.00 3.79 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 1.96 1.94 0.00 6 G 9.10 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 7 N 7.87 4.32 0.00 2.59 2.63 0.00 0.00 5.83 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 4.88 0.00 3.08 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 9 K 8.60 4.20 0.00 1.84 1.92 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.54 7.81 10 K 7.49 4.71 0.00 1.79 1.67 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.38 7.81 11 P 0.00 4.86 0.00 2.07 2.17 0.00 3.83 0.00 0.00 3.86 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 12 K 9.26 4.66 0.00 2.07 2.00 0.00 1.41 0.00 0.00 1.97 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.54 7.81 13 L 9.24 5.34 0.00 1.90 1.89 0.56 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.88 5.22 0.00 1.49 1.46 0.05 0.72 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 9.32 4.89 0.00 3.15 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 16 C 8.41 3.96 0.00 1.23 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 0.00 0.00 0.00 17 S 8.03 3.99 0.00 3.76 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 18 N 7.92 4.19 0.00 2.49 2.60 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 7.39 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 20 G 7.64 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 0.00 0.00 0.00 21 H 7.33 4.85 0.00 3.02 3.21 0.00 5.80 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 22 F 9.14 5.31 0.00 3.22 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 23 L 9.43 4.60 0.00 1.52 1.50 0.87 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 24 R 9.51 5.15 0.00 2.00 2.11 0.00 3.25 0.00 0.00 3.36 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.80 0.00 25 I 8.42 4.98 2.03 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.13 0.97 0.00 0.00 26 L 8.81 4.08 0.00 1.85 1.52 0.93 0.81 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 27 P 0.00 4.22 0.00 2.00 2.12 0.00 3.53 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 28 D 8.01 4.55 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 8.60 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 8.22 4.26 4.27 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 1.31 0.00 0.00 31 V 8.00 4.84 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 0.87 0.00 0.00 0.97 0.00 0.00 32 D 8.62 4.64 0.00 2.73 2.78 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 0.00 0.00 0.00 0.00 33 G 8.59 4.65 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 0.00 0.00 0.00 34 T 9.04 5.01 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 35 R 8.89 4.46 0.00 1.90 2.04 0.00 3.23 0.00 0.00 3.09 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.56 0.00 36 D 8.22 4.55 0.00 2.83 2.65 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 37 R 8.54 3.69 0.00 1.82 1.87 0.00 3.27 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.02 0.00 38 S 8.27 4.44 0.00 3.97 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 7.66 4.38 0.00 2.82 2.59 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 40 Q 8.45 4.34 0.00 1.83 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.29 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 41 H 9.28 4.83 0.00 3.24 3.38 0.00 5.75 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 42 I 7.24 4.72 1.97 0.00 0.00 0.51 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 1.61 1.05 0.00 0.00 43 Q 7.45 4.51 0.00 1.85 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.87 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 44 F 9.20 5.23 0.00 2.89 2.81 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 45 Q 9.32 4.89 0.00 2.11 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.88 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 46 L 8.62 5.06 0.00 1.65 1.22 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.57 4.64 0.00 3.94 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 48 A 8.48 5.29 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 49 E 9.03 4.14 0.00 1.78 1.73 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 2.20 2.42 0.00 50 S 5.81 4.63 0.00 4.32 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 51 V 8.30 3.71 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 0.94 0.00 0.00 1.04 0.00 0.00 52 G 9.26 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 53 E 8.29 5.16 0.00 2.03 1.69 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 2.21 2.29 0.00 54 V 8.89 4.82 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 0.80 0.00 0.00 1.11 0.00 0.00 55 Y 8.95 5.06 0.00 2.96 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 56 I 8.55 4.40 1.55 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.46 0.20 0.00 0.00 57 K 8.55 4.82 0.00 1.40 1.61 0.00 1.22 0.00 0.00 1.36 0.00 0.00 2.59 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.97 0.39 7.81 58 S 9.06 4.31 0.00 3.95 3.78 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 0.00 0.00 0.00 0.00 59 T 8.49 3.83 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 60 E 8.21 3.96 0.00 1.84 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 2.16 2.32 0.00 61 T 7.81 4.16 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 1.23 0.00 0.00 62 G 8.15 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 63 Q 7.74 4.47 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.72 0.00 0.00 0.00 0.00 0.00 2.56 2.34 0.00 64 Y 9.02 4.98 0.00 2.89 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 65 L 8.99 4.43 0.00 1.42 1.34 0.71 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.60 5.11 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 8.62 5.39 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.70 0.00 68 D 9.51 5.16 0.00 2.99 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 69 T 8.57 4.25 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 1.35 0.00 0.00 70 D 8.61 4.70 0.00 2.81 2.66 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 0.00 0.00 0.00 71 G 8.69 3.31 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 0.00 72 L 7.66 4.64 0.00 2.05 1.64 0.89 0.58 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 73 L 8.14 5.43 0.00 1.56 1.59 0.88 0.88 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 74 Y 8.62 4.95 0.00 3.02 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 8.91 4.27 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 76 S 9.03 5.15 0.00 3.84 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 77 Q 9.05 4.48 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.52 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 78 T 7.65 4.65 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 3.95 0.00 0.96 0.49 0.00 3.11 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 1.53 1.36 0.00 80 N 7.30 4.72 0.00 2.95 3.00 0.00 0.00 5.84 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 8.66 3.89 0.00 2.03 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 2.26 2.32 0.00 82 E 8.89 4.15 0.00 2.19 2.25 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 2.35 2.41 0.00 83 T 7.90 4.76 4.47 0.00 0.00 0.00 0.00 0.00 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 84 L 7.21 4.21 0.00 1.35 1.33 0.79 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.75 5.22 0.00 3.05 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 86 L 9.25 4.87 0.00 1.53 1.60 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 87 E 9.01 4.62 0.00 2.17 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 2.21 2.02 0.00 88 R 8.53 4.83 0.00 1.77 1.78 0.00 3.15 0.00 0.00 2.89 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.61 0.00 89 L 8.69 4.66 0.00 1.61 1.69 1.01 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 90 E 9.11 4.68 0.00 2.20 1.85 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 2.30 2.43 0.00 91 E 9.64 3.89 0.00 2.37 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 2.29 2.38 0.00 92 N 8.52 4.31 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 8.37 4.84 0.00 2.86 2.92 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 7.73 4.68 0.00 3.12 2.98 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 95 N 9.77 5.57 0.00 3.00 2.49 0.00 0.00 6.96 7.34 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 96 T 8.96 5.23 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 8.62 5.03 0.00 2.74 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 98 I 8.53 4.67 1.69 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 -0.19 0.71 0.65 0.00 0.00 99 S 8.80 4.11 0.00 4.09 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 0.00 100 K 8.75 3.98 0.00 1.71 1.63 0.00 1.60 0.00 0.00 1.46 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.30 7.81 101 K 7.91 3.78 0.00 1.58 1.60 0.00 1.71 0.00 0.00 1.63 0.00 0.00 3.14 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.98 1.30 7.81 102 H 8.32 5.28 0.00 3.15 2.42 0.00 5.70 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 7.72 3.94 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 0.00 104 E 8.01 3.86 0.00 1.82 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 2.16 2.13 0.00 105 K 7.65 4.05 0.00 0.79 1.08 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.47 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.99 0.87 7.81 106 N 7.57 3.93 0.00 3.02 3.07 0.00 0.00 6.92 7.43 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 0.00 107 W 7.79 5.00 0.00 3.30 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 0.00 108 F 9.19 5.37 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 8.82 4.03 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 0.43 0.00 0.00 0.49 0.00 0.00 110 G 8.65 4.69 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 0.00 0.00 0.00 111 L 8.15 5.31 0.00 1.28 1.43 1.09 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 112 K 9.10 4.28 0.00 1.90 1.67 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.37 1.49 7.81 113 K 8.36 3.92 0.00 1.69 1.83 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.35 7.81 114 N 8.04 4.54 0.00 2.78 2.89 0.00 0.00 6.20 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 8.11 3.56 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 0.00 116 S 8.33 4.61 0.00 3.97 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 0.00 117 V 8.20 4.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.99 0.00 0.00 118 K 8.86 4.41 0.00 1.69 1.78 0.00 1.80 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.34 7.81 119 R 8.75 3.89 0.00 1.65 1.60 0.00 3.10 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 120 G 8.75 3.44 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 0.00 121 P 0.00 4.24 0.00 1.89 2.16 0.00 2.99 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 1.58 1.29 0.00 122 R 7.97 4.32 0.00 1.81 1.93 0.00 3.28 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 123 T 7.65 5.11 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 1.39 0.00 0.00 124 H 7.82 4.72 0.00 3.45 3.54 0.00 5.67 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 0.00 125 Y 8.75 3.95 0.00 3.15 2.95 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 0.00 126 G 8.98 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 7.41 4.16 0.00 1.79 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.63 0.00 0.00 0.00 0.00 0.00 2.14 2.00 0.00 128 K 8.17 3.91 0.00 1.74 1.60 0.00 1.52 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.25 7.81 129 A 7.74 3.82 1.20 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 0.00 130 I 7.21 4.35 1.61 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.40 0.48 0.00 0.00 131 L 7.24 4.30 0.00 1.06 0.63 0.48 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 132 W 9.20 5.38 0.00 3.63 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 L 9.38 5.27 0.00 2.08 1.80 0.84 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 5.17 0.00 2.24 2.22 0.00 3.88 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 135 L 9.27 5.13 0.00 1.76 1.67 0.98 0.77 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 0.00 136 P 0.00 4.69 0.00 2.08 2.08 0.00 3.81 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 2.01 2.02 0.00 137 V 8.24 3.77 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 0.66 0.00 0.00 0.92 0.00 0.00