NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 S 4.5853 8.1776 115.5592 58.2947 63.7388 172.9594 13 S 4.8510 8.6425 122.4103 56.2864 64.7742 172.9856 14 C 4.3621 8.5572 121.5951 57.7144 38.6507 174.1927 15 K 4.5108 8.8681 123.9536 56.0114 36.2733 174.3234 16 R 4.5884 8.3161 120.5673 56.0933 30.9924 174.9715 17 H 5.0792 8.9388 122.2066 52.7953 32.8881 171.3714 18 P 4.5930 0.0000 0.0000 63.2768 32.4276 175.9799 19 L 4.2744 7.8908 122.7596 54.7780 44.8549 172.6389 20 Y 4.5557 8.5189 128.1417 55.7303 41.4597 174.2261 21 V 4.0146 7.1558 126.8799 61.0700 33.6868 173.8121 22 D 4.6189 8.1231 128.9895 52.7290 41.9565 177.0915 23 F 4.4969 8.2651 126.1805 60.7310 39.6125 177.9065 24 S 4.1568 8.4495 115.0857 61.3640 61.8755 175.8415 25 D 4.3598 8.2061 120.2051 57.0404 40.6611 178.0659 26 V 3.9747 7.1362 109.4856 60.5949 31.6071 176.8824 27 G 3.9538 7.5051 105.7627 46.0019 0.0000 174.7417 28 W 4.9778 8.1155 118.6176 56.5935 29.3497 177.6524 29 N 4.5091 8.2988 116.2028 54.4872 36.6167 174.9205 30 D 5.0119 8.0653 117.3208 52.8518 40.2372 176.2777 31 W 5.0346 8.1420 115.2478 55.7364 29.5983 174.4424 32 I 4.0565 6.9785 120.2155 59.6323 37.1751 175.4890 33 V 3.8593 8.9419 126.3778 62.7863 32.0964 175.9099 34 A 4.6384 7.0804 124.7408 51.6685 20.0708 174.2687 35 P 4.8942 0.0000 0.0000 61.6177 32.6575 175.6103 36 P 4.5396 0.0000 0.0000 64.3327 31.5113 176.4580 37 G 2.9048 7.2098 101.6114 45.6817 0.0000 171.1860 38 Y 4.6557 6.0794 115.6249 55.8764 41.7780 174.1427 39 H 4.5226 8.8995 117.5616 55.7353 28.4957 174.8201 40 A 4.4438 8.6102 127.0637 51.5561 20.5006 177.1245 41 F 4.2566 8.0056 115.6956 57.2269 38.6015 172.9050 42 Y 5.1025 8.4745 118.7026 56.5159 41.8806 172.6913 43 C 5.4985 8.5257 115.9891 55.7140 42.7434 173.3275 44 H 4.5535 8.6974 118.9180 56.5097 33.6906 172.4454 45 G 4.1710 8.5870 108.9249 43.1874 0.0000 173.3847 46 E 4.2208 8.9917 119.6850 56.4990 29.9834 176.1343 47 C 4.6505 8.3293 119.5568 54.7161 40.0071 172.3006 48 P 4.5999 0.0000 0.0000 61.3637 33.5922 175.4925 49 F 4.7194 8.5293 119.5247 55.9303 41.4612 173.6108 50 P 2.9700 0.0000 0.0000 61.0364 32.2518 176.0023 51 L 3.9556 7.8681 119.4083 53.9958 41.1284 177.1191 52 A 4.1009 8.1420 127.0168 51.6094 19.3036 177.5686 53 D 4.3058 8.5947 118.9588 57.6183 41.3362 177.5346 54 H 4.5156 8.0074 111.3511 56.0804 28.7642 175.2838 55 L 4.3224 7.8260 119.4570 54.4044 42.3695 176.0822 56 N 4.4302 7.6873 115.3524 54.3662 36.2207 174.1160 57 S 4.9968 7.6390 113.8523 57.1425 65.0869 175.5386 58 T 4.2870 8.1745 113.2548 61.0721 70.9769 175.4012 59 N 4.1631 8.7187 120.7065 57.0593 38.6434 176.7953 60 H 4.0146 8.3013 118.3734 59.4579 30.0418 176.7464 61 A 4.2111 8.2577 122.4869 55.3846 18.0367 179.8121 62 I 3.7219 7.6654 118.1316 64.5351 37.2476 178.6811 63 V 3.6033 8.0034 119.3779 66.0976 31.2586 177.8853 64 Q 3.9257 8.5501 119.7134 59.2251 28.6200 178.2755 65 T 3.9050 7.6405 116.2696 66.5945 68.9534 176.3062 66 L 4.0280 8.0152 120.9443 57.7412 41.6454 179.7271 67 V 3.5639 7.9846 118.2957 65.9640 31.5887 177.3463 68 N 4.5776 8.3884 117.1783 56.9148 38.5342 176.6180 69 S 4.3029 7.7505 113.1394 60.0844 63.2465 174.7810 70 V 4.1041 7.2398 119.5380 62.5759 33.4437 174.4754 71 N 4.8215 8.6962 117.9167 51.2648 40.0245 174.6845 72 S 4.2416 8.6679 121.3039 60.8323 63.2092 175.7515 73 K 4.0729 8.4689 119.6098 57.7117 31.8790 176.6117 74 I 4.3233 7.3800 121.0227 58.3832 37.7871 173.9080 75 P 4.3878 0.0000 0.0000 62.3669 31.5935 176.3896 76 K 4.1045 8.3952 118.8591 56.0548 32.6654 176.5567 77 A 4.2122 7.5032 122.0148 53.2041 18.9809 176.8835 78 C 4.5463 8.7741 120.5925 58.2181 34.0881 171.9480 79 C 5.1050 8.6560 124.6406 55.8990 40.2559 172.8299 80 V 4.7812 8.4770 118.9153 58.5492 36.1485 173.4538 81 P 4.7793 0.0000 0.0000 63.8500 31.3021 176.3295 82 T 4.6628 9.3936 115.6010 61.5170 69.3132 173.2833 83 E 4.8279 7.9428 121.0859 55.2361 33.2626 173.5606 84 L 5.4174 8.5151 125.0191 53.1541 46.0588 175.5525 85 S 4.9664 9.2655 116.5079 56.3519 66.4756 173.3221 86 A 4.9851 8.5310 122.7162 51.7824 19.8294 176.3403 87 I 4.7334 8.6520 111.5694 59.7212 41.5574 174.3218 88 S 5.3188 8.5800 118.4358 57.8975 64.7802 173.5308 89 M 4.9999 9.0275 120.7454 53.9772 37.1003 173.8585 90 L 5.1323 8.9741 121.8641 53.5061 44.0414 175.4374 91 Y 5.7015 8.7588 121.8732 54.4931 42.3187 173.3849 92 L 5.2875 9.0002 118.8171 52.8007 43.4574 176.8439 93 D 4.6970 8.9962 124.0152 53.7969 39.9775 177.9688 94 E 3.6419 8.3032 121.1411 58.8971 30.3260 177.3120 95 N 4.5967 8.1004 115.1330 52.1909 38.9313 172.6260 96 E 3.6417 10.3281 119.0203 56.4642 27.9415 173.3115 97 K 4.3845 8.8429 124.2458 56.8029 36.8147 175.2516 98 V 3.4692 7.5417 122.0977 57.7558 31.0660 175.1237 99 V 4.2756 8.9665 124.5690 60.8354 35.3036 173.4337 100 L 4.9396 8.3514 129.4854 53.5241 43.0381 175.1546 101 K 4.5856 8.7928 127.7797 54.4470 35.8744 174.4392 102 N 5.0258 8.7586 125.3934 53.1239 39.7684 173.6423 103 Y 4.4895 9.3239 125.9213 56.5525 39.3873 175.9838 104 Q 4.4333 8.8216 123.4828 55.2638 30.0817 175.3515 105 D 4.4474 8.3488 117.4371 56.1226 38.4771 174.4675 106 M 4.6200 8.1020 117.2715 55.6637 34.2682 177.9300 107 V 4.7058 7.6947 118.6307 60.7070 34.8506 174.6897 108 V 4.0533 8.6994 128.7354 63.3267 31.1540 175.3978 109 E 4.1858 9.1472 128.4985 58.3229 30.5859 176.7718 110 G 4.2226 7.6572 103.8664 45.3660 0.0000 172.8811 111 C 5.6776 8.6582 117.6272 55.3433 40.2558 173.3530 112 G 4.0964 8.6522 107.2849 45.9888 0.0000 170.4463 113 C 5.4268 8.8557 117.1711 55.3990 42.5306 174.9977 114 R 4.3058 8.7058 121.8839 56.3822 30.8584 175.2047 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 12 S 8.18 4.59 0.00 3.96 3.88 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 13 S 8.64 4.85 0.00 4.01 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 C 8.56 4.36 0.00 3.09 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 15 K 8.87 4.51 0.00 1.78 1.85 0.00 1.30 0.00 0.00 1.70 0.00 0.00 2.68 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.22 1.17 7.81 16 R 8.32 4.59 0.00 1.76 1.76 0.00 2.82 0.00 0.00 2.97 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 17 H 8.94 5.08 0.00 1.73 2.89 0.00 5.67 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.59 0.00 2.07 2.06 0.00 3.83 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 2.04 1.99 0.00 19 L 7.89 4.27 0.00 1.99 1.58 0.87 0.64 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 20 Y 8.52 4.56 0.00 2.79 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.16 4.01 1.28 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 0.71 0.00 0.00 0.59 0.00 0.00 22 D 8.12 4.62 0.00 2.95 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.27 4.50 0.00 3.28 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 24 S 8.45 4.16 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 25 D 8.21 4.36 0.00 2.72 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 26 V 7.14 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 0.36 0.00 0.00 -0.40 0.00 0.00 27 G 7.51 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 28 W 8.12 4.98 0.00 3.30 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.30 4.51 0.00 2.87 3.02 0.00 0.00 5.94 8.06 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 30 D 8.07 5.01 0.00 2.87 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 W 8.14 5.03 0.00 3.54 3.26 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 0.00 32 I 6.98 4.06 1.18 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 -0.14 -0.36 0.38 0.00 0.00 33 V 8.94 3.86 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.96 0.00 0.00 34 A 7.08 4.64 1.28 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 35 P 0.00 4.89 0.00 2.51 2.28 0.00 3.76 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 2.39 2.07 0.00 36 P 0.00 4.54 0.00 2.27 2.20 0.00 3.75 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 2.16 2.13 0.00 37 G 7.21 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 0.00 0.00 0.00 38 Y 6.08 4.66 0.00 3.00 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 39 H 8.90 4.52 0.00 3.13 2.86 0.00 5.69 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.61 4.44 0.97 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 41 F 8.01 4.26 0.00 3.27 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 42 Y 8.47 5.10 0.00 3.14 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 43 C 8.53 5.50 0.00 2.95 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 44 H 8.70 4.55 0.00 3.39 3.05 0.00 5.57 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.59 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 0.00 0.00 0.00 46 E 8.99 4.22 0.00 2.12 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 2.34 2.44 0.00 47 C 8.33 4.65 0.00 3.07 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.60 0.00 2.22 2.12 0.00 3.70 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 1.96 1.95 0.00 49 F 8.53 4.72 0.00 3.03 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 50 P 0.00 2.97 0.00 1.69 0.79 0.00 3.64 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 51 L 7.87 3.96 0.00 1.58 1.62 0.93 0.90 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 52 A 8.14 4.10 1.13 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 53 D 8.59 4.31 0.00 2.66 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 54 H 8.01 4.52 0.00 3.25 3.38 0.00 5.75 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.83 4.32 0.00 1.73 1.66 0.87 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.69 4.43 0.00 2.80 2.85 0.00 0.00 6.91 7.59 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 57 S 7.64 5.00 0.00 3.83 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 58 T 8.17 4.29 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 1.23 0.00 0.00 59 N 8.72 4.16 0.00 2.77 2.97 0.00 0.00 6.56 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 60 H 8.30 4.01 0.00 3.21 3.30 0.00 5.69 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 A 8.26 4.21 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 7.67 3.72 2.05 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.59 0.96 0.00 0.00 63 V 8.00 3.60 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.93 0.00 0.00 64 Q 8.55 3.93 0.00 2.01 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 65 T 7.64 3.91 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 1.46 0.00 0.00 66 L 8.02 4.03 0.00 1.85 1.66 1.05 0.54 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 67 V 7.98 3.56 2.19 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 0.81 0.00 0.00 0.96 0.00 0.00 68 N 8.39 4.58 0.00 2.96 3.02 0.00 0.00 6.99 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 69 S 7.75 4.30 0.00 3.99 3.88 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 70 V 7.24 4.10 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 0.76 0.00 0.00 0.87 0.00 0.00 71 N 8.70 4.82 0.00 2.71 2.62 0.00 0.00 6.78 7.59 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 72 S 8.67 4.24 0.00 4.01 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.47 4.07 0.00 1.96 1.91 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.41 7.81 74 I 7.38 4.32 1.96 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.83 0.92 0.00 0.00 75 P 0.00 4.39 0.00 2.19 2.08 0.00 3.79 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 2.01 2.01 0.00 76 K 8.40 4.10 0.00 1.79 1.82 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.54 1.46 7.81 77 A 7.50 4.21 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 78 C 8.77 4.55 0.00 3.06 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 79 C 8.66 5.11 0.00 3.12 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 80 V 8.48 4.78 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 0.74 0.00 0.00 0.96 0.00 0.00 81 P 0.00 4.78 0.00 1.99 2.06 0.00 3.68 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 2.12 2.19 0.00 82 T 9.39 4.66 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 83 E 7.94 4.83 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 2.27 2.34 0.00 84 L 8.52 5.42 0.00 1.66 1.55 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 85 S 9.27 4.97 0.00 3.85 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 8.53 4.99 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 87 I 8.65 4.73 1.83 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.85 0.89 0.00 0.00 88 S 8.58 5.32 0.00 3.80 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 M 9.03 5.00 0.00 1.84 1.85 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.36 0.00 90 L 8.97 5.13 0.00 1.58 1.56 0.88 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.76 5.70 0.00 3.22 3.11 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 92 L 9.00 5.29 0.00 1.75 1.75 1.02 1.12 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 93 D 9.00 4.70 0.00 2.82 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 94 E 8.30 3.64 0.00 1.88 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 2.25 2.24 0.00 95 N 8.10 4.60 0.00 2.71 2.89 0.00 0.00 6.97 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 96 E 10.33 3.64 0.00 2.15 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 2.27 2.30 0.00 97 K 8.84 4.38 0.00 2.11 1.71 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.23 1.32 7.81 98 V 7.54 3.47 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 0.67 0.00 0.00 0.90 0.00 0.00 99 V 8.97 4.28 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 0.19 0.00 0.00 0.92 0.00 0.00 100 L 8.35 4.94 0.00 1.59 1.49 0.95 0.50 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 0.00 101 K 8.79 4.59 0.00 1.77 1.74 0.00 0.61 0.00 0.00 0.83 0.00 0.00 2.69 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.03 1.19 7.81 102 N 8.76 5.03 0.00 2.78 2.72 0.00 0.00 7.01 7.54 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 0.00 103 Y 9.32 4.49 0.00 2.94 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 0.00 104 Q 8.82 4.43 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 105 D 8.35 4.45 0.00 2.83 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 0.00 106 M 8.10 4.62 0.00 1.80 2.12 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.98 0.00 107 V 7.69 4.71 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 1.34 0.00 0.00 1.19 0.00 0.00 108 V 8.70 4.05 2.19 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 0.82 0.00 0.00 1.13 0.00 0.00 109 E 9.15 4.19 0.00 1.97 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 2.29 2.39 0.00 110 G 7.66 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 0.00 0.00 0.00 0.00 111 C 8.66 5.68 0.00 2.82 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.65 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 0.00 0.00 0.00 113 C 8.86 5.43 0.00 2.90 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 0.00 114 R 8.71 4.31 0.00 1.71 1.76 0.00 3.33 0.00 0.00 3.37 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00