NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.1955 8.1693 122.4863 55.0889 42.2191 175.8821 2 S 4.5877 7.8761 120.8362 55.2369 67.1978 172.8040 3 A 3.9814 8.3149 123.1931 55.2013 18.3297 180.7370 4 D 4.2305 7.9262 117.2111 56.9792 39.6246 178.8242 5 Q 3.9464 7.9139 119.4320 58.3055 28.7570 178.5907 6 I 3.6049 7.6285 121.3515 64.1491 37.1355 178.6138 7 S 4.0902 8.1546 115.3033 61.5443 62.8588 176.5902 8 T 3.7778 7.6866 119.1678 66.5291 68.2512 176.7416 9 V 2.9217 7.4514 119.9310 65.6776 31.4700 177.9926 10 Q 4.1961 7.8044 117.1398 58.3986 28.4274 178.1917 11 A 4.0526 7.8597 121.3236 55.0766 18.1640 179.3786 12 S 4.3623 8.1216 111.7379 61.7016 62.6345 176.2279 13 F 4.6432 9.1942 123.7620 61.3624 38.8952 176.4652 14 D 4.3403 8.0253 116.7349 57.2236 41.0085 178.1938 15 K 4.1892 7.7980 117.2940 58.2723 32.3613 178.4938 16 V 4.4085 7.4736 110.5368 60.6642 32.7278 177.4316 17 K 3.6818 7.6833 117.6759 58.9297 32.5653 177.8934 18 G 3.7916 7.9067 106.8457 46.2140 0.0000 172.9992 19 D 4.9992 7.9831 119.1841 51.6242 41.4045 174.5919 20 P 4.2074 0.0000 0.0000 66.3725 31.4237 178.4045 21 V 3.7504 7.8112 117.4037 65.7341 31.6749 178.0111 22 G 3.8509 8.1896 106.7480 47.2725 0.0000 175.7542 23 I 3.0619 7.0501 121.3412 63.8125 37.0893 178.2523 24 L 3.5916 7.7228 121.2064 57.8623 41.7447 178.2748 25 Y 4.0840 8.2884 119.5379 60.7532 38.7539 178.0292 26 A 3.9020 8.0688 121.4330 54.9774 18.3150 179.9069 27 V 3.3427 7.4759 116.5717 66.2465 31.4264 178.3313 28 F 4.4930 7.9822 116.3901 60.5823 38.7445 177.3271 29 K 3.9546 7.9140 118.3696 59.1587 31.9780 178.5307 30 A 4.3836 7.6315 120.2013 53.8224 19.0275 176.9208 31 D 4.4806 8.0524 117.3521 51.0958 42.3617 173.4741 32 P 4.2889 0.0000 0.0000 65.4716 30.7970 178.0420 33 S 4.2772 8.1697 113.0153 60.7135 63.1695 176.3034 34 I 3.9955 7.8445 124.2417 64.7084 37.0365 177.7171 35 M 2.9332 7.8406 118.2792 58.2958 31.7044 177.6284 36 A 4.2105 7.7918 119.0590 53.9864 18.6443 178.9066 37 K 4.2245 7.8575 115.7336 56.6086 32.6123 176.7175 38 F 4.5607 7.9536 120.0099 55.7954 39.7580 176.9325 39 T 3.8860 8.5079 116.8076 64.6308 68.7040 175.4037 40 Q 4.0065 7.8335 121.4552 57.5259 29.3333 175.9466 41 F 5.1323 7.6092 114.0574 57.3284 41.1644 175.2254 42 A 4.0932 7.9815 124.1673 53.3601 18.5282 177.5755 43 G 3.9049 8.8861 108.8826 45.9482 0.0000 173.0782 44 K 4.5510 7.6505 118.0772 54.1707 35.2691 174.8133 45 D 4.7137 8.2450 119.0983 52.8074 42.1832 176.3983 46 L 3.9759 8.7182 128.5536 58.6510 41.7581 178.7874 47 E 4.0696 8.2806 116.9215 59.3817 29.5174 178.9490 48 S 4.2718 8.0110 114.3319 60.6550 63.2753 175.8273 49 I 4.0465 7.5133 114.5255 61.8077 37.7260 177.3893 50 K 2.4800 7.2118 121.7228 58.9551 31.8541 177.1464 51 G 3.9363 7.7414 104.6990 45.6470 0.0000 173.6227 52 T 4.5624 7.6190 110.9163 59.7154 72.1768 175.3501 53 A 4.0828 8.4396 123.2803 54.9003 18.4246 178.1563 54 P 4.3963 0.0000 0.0000 65.7374 31.3791 178.4861 55 F 4.2197 8.1362 119.2242 61.4273 39.2639 176.8532 56 E 4.0354 8.2893 119.0836 59.4739 29.4156 178.7563 57 T 3.8980 8.1587 115.8305 67.1187 68.5729 176.2800 58 H 4.2034 8.3808 117.7341 58.8450 28.7326 177.7739 59 A 3.8803 8.3066 122.9771 55.1940 18.1848 179.4715 60 N 4.3533 8.4513 115.1665 56.4107 38.5899 177.9119 61 R 4.0186 7.9115 119.0980 59.3227 30.1805 179.2786 62 I 3.9096 7.8887 119.5191 64.5927 37.2632 178.7522 63 V 3.9750 8.2249 119.1843 65.5127 31.3637 178.0085 64 G 3.9134 8.3294 105.9614 48.1122 0.0000 175.3504 65 F 4.2737 8.3561 122.4737 60.6743 39.3658 177.2009 66 F 3.9268 8.2899 120.1087 61.2435 39.1494 176.8295 67 S 3.9926 8.6909 113.2385 61.4378 61.9704 176.0519 68 K 3.7631 7.6728 121.6072 59.4930 31.5931 178.9003 69 I 3.7743 6.4675 120.4558 63.6464 37.2788 178.1182 70 I 3.4597 7.2092 120.8776 64.0726 36.5756 178.7738 71 G 3.5925 7.9316 105.9052 46.6422 0.0000 174.5049 72 E 4.4402 7.4326 117.9784 54.9256 30.0671 175.6475 73 L 3.9001 6.7172 119.3654 55.3867 42.0650 175.2009 74 P 4.6913 0.0000 0.0000 62.7654 31.8634 176.1713 75 N 4.6256 8.1331 120.2223 52.9300 37.1567 174.9436 76 I 4.2525 7.2750 112.4911 60.1549 38.9196 176.8240 77 E 3.9046 8.1492 121.8961 59.7742 29.4082 178.3635 78 A 4.0381 7.9279 120.0986 55.3008 18.4801 179.2250 79 D 4.5548 8.0569 117.0328 57.3413 40.9144 178.9250 80 V 3.7314 7.9797 118.9848 66.0317 31.5247 177.6789 81 N 4.3666 8.4134 116.2633 56.8349 38.5690 177.4204 82 T 3.9035 8.0323 116.9116 66.6240 68.5811 176.3105 83 F 4.1369 8.6435 122.6667 61.4584 39.3932 177.4211 84 V 3.3963 8.2427 117.6528 65.7739 31.1245 177.7394 85 A 4.0215 7.9264 119.9142 55.0797 18.2593 179.2212 86 S 4.2004 7.7289 110.8451 60.5331 63.7538 175.4851 87 H 4.3379 7.7755 118.7820 56.2924 29.1151 176.9599 88 K 3.8068 8.2477 122.6605 59.0134 32.0390 176.6348 89 P 4.4111 0.0000 0.0000 64.1649 31.4737 176.8990 90 R 4.1263 7.5300 116.2869 55.6191 30.1136 176.7794 91 G 3.8418 7.8474 105.6763 46.1050 0.0000 174.3077 92 V 3.6160 7.8517 119.3694 62.9924 32.0754 176.3092 93 T 4.5200 8.2374 117.3731 60.6525 71.9531 175.4456 94 H 3.9866 8.5068 118.3204 58.9325 28.6108 177.6381 95 D 4.4108 8.1134 120.2007 57.7249 40.6588 178.8638 96 Q 4.2767 8.1234 118.2566 58.9482 28.6946 178.8116 97 L 4.2627 8.2621 120.0542 58.1612 41.7926 179.4362 98 N 4.2680 8.6642 116.4693 56.1383 38.3475 177.2717 99 N 4.4618 8.4940 118.2186 55.7901 38.5742 177.1504 100 F 3.9434 8.6365 122.5983 61.2686 39.5354 177.0718 101 R 4.1184 8.2395 118.0342 59.6039 29.8559 178.3132 102 A 4.1146 8.1943 120.6385 55.0391 18.2504 179.9192 103 G 3.4107 8.2847 104.4600 47.7451 0.0000 175.7114 104 F 3.9231 8.1123 123.3676 61.0245 39.2925 177.4556 105 V 2.9655 7.8153 117.7997 65.5862 31.2544 177.8477 106 S 3.8741 7.9897 113.0202 61.3934 62.1997 175.4027 107 Y 3.8764 7.9543 122.2805 61.1331 38.5270 178.1959 108 M 3.8313 7.6943 119.5819 58.1749 31.6455 178.9876 109 K 3.7843 7.4560 117.8879 58.9563 32.2695 178.7039 110 A 4.0916 7.6034 119.1484 53.4697 18.7123 177.4427 111 H 4.5387 7.5556 112.0499 55.4182 30.6562 173.5968 112 T 4.6511 7.4676 107.9353 59.5085 71.7255 173.8303 113 D 4.5899 8.4235 121.4460 53.5698 39.8337 175.8712 114 F 4.6358 8.5495 126.4470 59.2470 39.5388 176.2989 115 A 4.1673 7.6732 120.9401 55.4532 18.0747 179.6575 116 G 3.7117 8.1766 102.4369 46.5880 0.0000 174.4741 117 A 4.6108 7.4098 121.1897 51.6785 19.5277 177.6786 118 E 3.2308 7.5479 119.0333 59.2588 29.6838 178.7995 119 A 3.9791 7.8898 120.1719 55.0363 18.4944 179.2955 120 A 3.8886 7.8745 118.8202 55.1192 18.4424 179.7189 121 W 4.4398 8.4404 117.7146 59.7617 29.0407 178.8674 122 G 3.7943 8.6610 105.7578 47.9025 0.0000 175.4209 123 A 4.0512 8.1788 123.7365 55.1280 18.3226 179.8318 124 T 3.7967 8.0852 114.1230 66.9253 68.4884 176.9373 125 L 4.4075 8.5543 121.0184 57.7791 41.7804 179.1447 126 D 4.4637 8.5417 119.1200 57.6071 40.7171 179.0216 127 T 3.8541 8.0616 116.2250 66.5311 68.4941 176.5638 128 F 4.1608 8.4681 122.7345 61.5590 39.3977 177.2541 129 F 3.7649 8.6682 117.8252 59.8396 38.3796 177.9390 130 G 3.6363 7.7695 105.0121 48.0846 0.0000 175.0905 131 M 4.2007 8.0005 120.5298 58.3425 32.3021 178.3603 132 I 3.7797 7.4788 119.9858 64.5479 37.1042 178.4118 133 F 4.5526 8.3515 117.1611 59.8079 38.8166 177.3543 134 S 4.4299 7.8275 111.7409 59.9061 63.1753 174.8282 135 K 4.5435 7.9349 120.3907 56.8052 33.9185 175.9907 136 M 4.3293 7.8982 120.2248 55.6250 30.7832 174.3501 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 1 L 8.17 4.20 0.00 1.57 1.66 0.85 0.48 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 2 S 7.88 4.59 0.00 4.12 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 3 A 8.31 3.98 1.30 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 0.00 0.00 4 D 7.93 4.23 0.00 2.88 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 5 Q 7.91 3.95 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.95 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 6 I 7.63 3.60 1.90 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 1.44 1.00 0.79 0.00 0.00 7 S 8.15 4.09 0.00 4.00 4.14 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 8 T 7.69 3.78 4.31 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 1.13 0.00 0.00 9 V 7.45 2.92 1.10 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 -0.18 0.00 0.00 0.17 0.00 0.00 10 Q 7.80 4.20 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 11 A 7.86 4.05 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.12 4.36 0.00 4.16 4.39 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.19 4.64 0.00 3.53 3.22 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 14 D 8.03 4.34 0.00 3.01 2.82 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 15 K 7.80 4.19 0.00 1.99 1.90 0.00 1.81 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.68 7.81 16 V 7.47 4.41 2.17 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 1.05 0.00 0.00 1.04 0.00 0.00 17 K 7.68 3.68 0.00 1.61 1.18 0.00 1.57 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.35 7.81 18 G 7.91 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 19 D 7.98 5.00 0.00 2.77 2.69 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 20 P 0.00 4.21 0.00 2.29 2.33 0.00 3.83 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 21 V 7.81 3.75 2.22 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 1.27 0.00 0.00 1.07 0.00 0.00 22 G 8.19 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 0.00 0.00 0.00 23 I 7.05 3.06 1.74 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 -0.01 0.70 0.00 0.00 24 L 7.72 3.59 0.00 1.41 1.21 0.35 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.29 4.08 0.00 3.27 3.25 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 26 A 8.07 3.90 1.54 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 0.00 0.00 0.00 27 V 7.48 3.34 1.49 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 1.04 0.00 0.00 0.21 0.00 0.00 28 F 7.98 4.49 0.00 2.96 2.94 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 29 K 7.91 3.95 0.00 1.47 1.62 0.00 1.72 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.29 1.02 7.81 30 A 7.63 4.38 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 31 D 8.05 4.48 0.00 2.74 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 32 P 0.00 4.29 0.00 2.27 2.28 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 33 S 8.17 4.28 0.00 4.08 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 34 I 7.84 4.00 2.19 0.00 0.00 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 1.61 1.53 1.37 0.00 0.00 35 M 7.84 2.93 0.00 1.94 1.20 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 1.93 2.41 0.00 36 A 7.79 4.21 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.86 4.22 0.00 1.87 1.76 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.63 1.66 7.81 38 F 7.95 4.56 0.00 3.27 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 39 T 8.51 3.89 4.21 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 1.16 0.00 0.00 40 Q 7.83 4.01 0.00 1.78 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.87 0.00 0.00 0.00 0.00 0.00 2.09 2.02 0.00 41 F 7.61 5.13 0.00 3.09 2.86 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 42 A 7.98 4.09 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.89 3.90 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 44 K 7.65 4.55 0.00 1.88 1.79 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.56 7.81 45 D 8.24 4.71 0.00 2.71 2.54 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 0.00 46 L 8.72 3.98 0.00 1.80 1.68 1.11 0.71 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 47 E 8.28 4.07 0.00 2.28 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 0.00 2.37 2.38 0.00 48 S 8.01 4.27 0.00 4.01 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 49 I 7.51 4.05 1.88 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.38 0.99 0.00 0.00 50 K 7.21 2.48 0.00 1.56 1.59 0.00 0.83 0.00 0.00 1.24 0.00 0.00 2.71 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.14 1.04 7.81 51 G 7.74 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 52 T 7.62 4.56 4.32 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 1.29 0.00 0.00 53 A 8.44 4.08 1.40 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 0.00 0.00 54 P 0.00 4.40 0.00 2.51 2.28 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 55 F 8.14 4.22 0.00 2.99 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 56 E 8.29 4.04 0.00 2.14 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 0.00 2.36 2.56 0.00 57 T 8.16 3.90 4.50 0.00 0.00 0.00 0.00 0.00 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 58 H 8.38 4.20 0.00 3.68 3.49 0.00 5.82 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 59 A 8.31 3.88 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 60 N 8.45 4.35 0.00 3.05 2.93 0.00 0.00 7.03 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 R 7.91 4.02 0.00 2.08 2.05 0.00 3.12 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.88 0.00 62 I 7.89 3.91 1.97 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.39 1.11 0.00 0.00 63 V 8.22 3.98 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 1.25 0.00 0.00 0.97 0.00 0.00 64 G 8.33 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 65 F 8.36 4.27 0.00 3.26 3.18 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 66 F 8.29 3.93 0.00 3.17 3.17 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 67 S 8.69 3.99 0.00 4.32 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 68 K 7.67 3.76 0.00 1.73 1.57 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.31 1.34 7.81 69 I 6.47 3.77 1.26 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.03 0.19 0.00 0.00 70 I 7.21 3.46 1.30 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 -0.04 0.61 0.00 0.00 71 G 7.93 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 72 E 7.43 4.44 0.00 2.04 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 0.00 2.22 2.39 0.00 73 L 6.72 3.90 0.00 1.63 1.51 0.67 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.69 0.00 2.11 2.05 0.00 3.69 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.87 0.00 75 N 8.13 4.63 0.00 2.62 2.85 0.00 0.00 6.91 7.56 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 76 I 7.28 4.25 1.79 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 1.49 0.65 0.73 0.00 0.00 77 E 8.15 3.90 0.00 2.05 2.00 0.00 0.00 0.00 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 2.41 0.00 78 A 7.93 4.04 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 79 D 8.06 4.55 0.00 2.76 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 3.73 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 1.04 0.00 0.00 1.09 0.00 0.00 81 N 8.41 4.37 0.00 3.06 2.91 0.00 0.00 7.05 6.61 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 82 T 8.03 3.90 4.67 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 1.20 0.00 0.00 83 F 8.64 4.14 0.00 3.30 3.33 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 0.00 84 V 8.24 3.40 2.17 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 0.81 0.00 0.00 1.13 0.00 0.00 85 A 7.93 4.02 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 86 S 7.73 4.20 0.00 3.90 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 87 H 7.78 4.34 0.00 2.45 2.96 0.00 5.83 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 K 8.25 3.81 0.00 1.81 1.74 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.39 7.81 89 P 0.00 4.41 0.00 2.00 2.02 0.00 3.60 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 90 R 7.53 4.13 0.00 1.77 1.83 0.00 2.91 0.00 0.00 2.96 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.49 0.00 91 G 7.85 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 92 V 7.85 3.62 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 0.99 0.00 0.00 0.96 0.00 0.00 93 T 8.24 4.52 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 1.28 0.00 0.00 94 H 8.51 3.99 0.00 2.98 3.07 0.00 5.65 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 D 8.11 4.41 0.00 2.74 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 96 Q 8.12 4.28 0.00 2.40 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.80 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 97 L 8.26 4.26 0.00 2.26 2.12 1.16 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 98 N 8.66 4.27 0.00 3.04 2.88 0.00 0.00 7.08 7.76 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 99 N 8.49 4.46 0.00 3.03 2.92 0.00 0.00 6.51 7.70 0.00 0.00 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 F 8.64 3.94 0.00 3.35 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 0.00 101 R 8.24 4.12 0.00 1.41 1.90 0.00 2.77 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 102 A 8.19 4.11 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.28 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 0.00 104 F 8.11 3.92 0.00 2.76 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 0.00 105 V 7.82 2.97 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 0.90 0.00 0.00 1.05 0.00 0.00 106 S 7.99 3.87 0.00 4.02 3.90 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 0.00 107 Y 7.95 3.88 0.00 2.93 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 0.00 108 M 7.69 3.83 0.00 1.41 1.12 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.61 0.00 109 K 7.46 3.78 0.00 1.64 1.71 0.00 1.54 0.00 0.00 1.63 0.00 0.00 3.09 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.43 0.83 7.81 110 A 7.60 4.09 1.10 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 0.00 111 H 7.56 4.54 0.00 2.65 3.07 0.00 5.60 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 0.00 112 T 7.47 4.65 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 0.00 113 D 8.42 4.59 0.00 2.69 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.55 4.64 0.00 3.03 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 0.00 115 A 7.67 4.17 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.18 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 0.00 117 A 7.41 4.61 1.40 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 0.00 0.00 118 E 7.55 3.23 0.00 1.82 1.80 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 2.32 2.38 0.00 119 A 7.89 3.98 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 0.00 120 A 7.87 3.89 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 0.00 121 W 8.44 4.44 0.00 3.60 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.66 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 0.00 123 A 8.18 4.05 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 0.00 124 T 8.09 3.80 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 125 L 8.55 4.41 0.00 2.04 2.16 1.32 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 126 D 8.54 4.46 0.00 2.88 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 0.00 127 T 8.06 3.85 4.52 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 1.21 0.00 0.00 128 F 8.47 4.16 0.00 2.89 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 0.00 129 F 8.67 3.76 0.00 3.17 2.29 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 0.00 130 G 7.77 3.64 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 0.00 0.00 0.00 131 M 8.00 4.20 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.58 0.00 132 I 7.48 3.78 1.85 0.00 0.00 -0.50 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 0.22 1.14 0.00 0.00 133 F 8.35 4.55 0.00 2.87 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 0.00 134 S 7.83 4.43 0.00 4.12 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 0.00 135 K 7.93 4.54 0.00 1.93 1.92 0.00 1.77 0.00 0.00 1.92 0.00 0.00 3.14 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.47 7.81 136 M 7.90 4.33 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.85 0.00