NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1C H 4.6231 8.4449 117.8207 56.2319 29.9955 172.8274 1D H 4.5786 8.6442 116.9829 55.8050 29.7379 172.9728 1E H 5.1013 7.6371 115.3912 53.6659 33.6523 171.8225 1F H 4.5897 8.9170 116.8183 56.0410 28.8397 174.4297 1G F 4.8282 8.4275 119.2764 57.8277 39.9242 174.0917 2 N 4.6185 8.5011 117.1407 52.2548 38.9928 174.5232 3 L 4.7789 8.0410 123.3460 52.0291 43.9431 174.6889 4 P 4.5386 0.0000 0.0000 61.7226 32.1648 174.9232 5 P 4.2513 0.0000 0.0000 65.3127 31.5932 176.8354 6 G 3.7775 7.8342 107.4189 45.2344 0.0000 170.7950 7 N 4.4948 8.0509 115.6327 51.3664 40.2679 173.6945 8 Y 4.8835 7.7671 112.6280 57.8156 38.3968 176.9485 9 K 3.9969 8.6232 124.8127 59.4688 32.2700 177.7090 10 K 4.7783 7.6098 116.9350 51.3854 35.6150 175.7706 11 P 4.8276 0.0000 0.0000 64.7167 32.4345 175.6560 12 K 4.8011 9.3990 123.1437 54.5288 37.1094 174.9678 13 L 4.9515 9.2646 117.8307 54.4978 44.5048 176.4536 14 L 5.0330 8.6797 123.1601 53.5884 42.8020 174.3857 15 Y 4.8376 9.2821 127.0809 56.5277 40.5054 173.6589 16 C 4.2267 8.7142 128.9014 57.7644 32.2386 174.6591 17 S 3.8298 7.9914 121.6334 61.0047 62.8023 174.9529 18 N 4.0343 7.6551 118.7258 56.1957 38.4216 175.1846 19 G 3.8656 7.6664 102.8074 44.6147 0.0000 173.2350 20 G 3.3360 7.7952 107.5664 43.6464 0.0000 173.2012 21 H 4.7608 7.2725 115.6653 54.2792 31.2096 174.0409 22 F 5.2560 8.9893 120.5330 55.9881 40.3845 175.2913 23 L 4.4684 9.1695 126.5165 55.5561 43.1926 175.6147 24 R 4.9403 10.1874 126.5445 54.6082 33.5321 174.0400 25 I 4.8415 8.1709 126.5763 59.3684 38.6238 175.6996 26 L 4.0867 9.3548 128.5994 53.5123 42.2323 177.1251 27 P 4.2024 0.0000 0.0000 65.6513 31.3297 177.3435 28 D 4.4890 7.9610 114.8201 53.6752 39.5905 177.0694 29 G 4.3309 8.5841 109.8408 45.4955 0.0000 173.8213 30 T 4.2946 8.5755 117.8357 63.1586 69.1350 173.6151 31 V 4.8619 7.8672 124.7707 61.2631 33.6457 174.5928 32 D 4.5674 8.8636 125.0778 53.2440 43.1676 174.2850 33 G 4.1553 8.5118 104.4812 45.4069 0.0000 172.2625 34 T 4.9958 9.0176 115.8171 60.3842 70.9082 174.7682 35 R 4.3580 8.8692 124.0896 57.2345 31.0703 176.3997 36 D 4.5312 8.2273 118.1765 53.7291 40.0697 176.5312 37 R 3.6369 8.5895 127.7428 58.1558 30.2811 177.3996 38 S 4.3007 8.6954 111.3849 59.4639 63.7045 174.1473 39 D 4.2971 7.7341 120.8755 55.3267 41.0535 176.3240 40 Q 4.2611 8.5453 123.4237 57.1114 29.5158 175.9093 41 H 4.8735 9.6162 116.7160 55.4841 28.9752 175.6109 42 I 4.5212 6.9652 111.2946 59.9986 38.3467 175.5244 43 Q 4.2500 7.7958 121.8350 55.7240 29.5593 174.6219 44 L 5.1340 8.9075 124.9312 52.7912 45.2248 175.5048 45 Q 4.7909 9.1537 124.4168 54.4941 30.8612 174.3941 46 L 5.1468 8.5868 126.6984 53.8767 43.5942 176.2322 47 S 4.6360 8.3981 114.6565 56.9105 66.6932 173.0889 48 A 4.8061 8.5579 123.1465 52.3631 20.7060 177.3680 49 E 4.2013 9.0683 119.7388 56.5508 29.9226 178.8433 50 S 4.5898 5.8100 115.2219 56.6841 64.9911 173.5014 51 V 3.7614 8.2153 121.3688 64.9336 31.5235 176.1787 52 G 3.9328 9.2466 114.6743 45.2589 0.0000 171.7062 53 E 5.2428 8.3787 120.1133 54.6301 31.9732 175.6481 54 V 4.9070 8.8657 116.4714 59.9889 36.9851 173.7629 55 Y 5.2527 8.9349 119.6887 56.4524 41.4113 175.2760 56 I 4.5556 8.6255 122.5454 59.6322 40.2781 174.0769 57 K 4.6396 8.6920 129.1045 54.1741 35.0346 175.0971 58 S 4.5077 8.6753 122.9226 58.1111 62.4970 174.7276 59 T 3.9121 8.6634 119.4568 64.9949 68.6445 175.8968 60 E 4.0188 8.3847 122.2864 59.0439 29.8906 177.4235 61 T 4.1431 8.0281 106.8926 61.4868 69.6757 175.9425 62 G 3.7884 8.3934 109.6614 44.9999 0.0000 173.4217 63 Q 4.4203 7.5503 118.6379 55.8526 30.3683 174.5204 64 Y 4.9615 8.8614 119.3776 55.9816 40.7891 175.2024 65 L 4.4062 9.1408 125.6800 55.3259 43.4210 175.6154 66 A 5.1065 8.7490 126.0258 50.6045 23.2191 174.3929 67 M 5.3578 8.5298 119.4051 53.8443 34.7482 175.6190 68 D 5.2595 9.7884 126.3996 51.7624 41.0858 177.0857 69 T 4.1492 8.5428 108.4424 63.9248 68.6456 174.4736 70 D 4.6302 8.4293 120.6936 53.9953 41.6068 177.0070 71 G 3.1578 8.4739 108.5917 45.0633 0.0000 172.8504 72 L 4.7631 8.0263 119.6868 53.3434 43.4907 176.0450 73 L 5.2234 8.4510 122.4914 54.7197 43.1503 175.4373 74 Y 4.9412 8.8230 119.2349 56.0886 41.8946 173.4694 75 G 4.2422 8.9389 108.8651 45.5789 0.0000 173.1818 76 S 5.0936 9.1374 121.0716 56.6627 64.2151 175.3164 77 Q 4.2926 9.0610 124.9847 58.2460 28.8976 176.6336 78 T 4.7035 7.8323 106.3560 59.0597 71.9796 172.7188 79 P 3.8570 0.0000 0.0000 61.1503 30.0049 174.4848 80 N 4.8043 7.3245 121.4042 51.7301 40.6423 176.0187 81 E 3.9927 8.7173 114.6717 59.7815 29.2646 178.4099 82 E 4.1991 8.8966 118.0247 57.8343 29.7070 177.4767 83 C 5.0043 7.9621 115.2899 58.8840 29.1440 173.3635 84 L 4.1814 7.1281 120.5567 53.7588 42.4871 175.9007 85 F 5.1753 8.9813 122.2898 55.5560 43.2761 174.7155 86 L 4.8161 9.3498 123.2815 53.6968 42.4558 175.4955 87 E 4.4179 8.7521 126.7817 55.4153 30.1032 175.8806 88 R 4.8294 8.5279 125.4410 53.9647 34.7454 174.5774 89 L 4.6481 8.7557 124.3200 55.1643 43.0029 175.8614 90 E 4.6929 9.0710 126.0369 55.1158 33.4320 175.0785 91 E 3.9897 9.7634 124.0468 57.6346 27.2543 174.2958 92 N 4.3244 8.5964 111.0509 54.1951 36.4507 173.7603 93 H 4.7853 8.5018 117.5860 57.5659 37.6150 173.4646 94 Y 4.5725 7.7089 116.1053 57.3347 40.3847 173.4723 95 N 5.6669 9.7756 117.4952 51.9897 41.5696 174.5171 96 T 5.2425 8.7270 112.5319 60.1356 72.7474 172.5781 97 Y 4.9977 8.7205 119.8257 56.6129 41.3324 174.1700 98 I 4.6716 8.4457 125.8983 59.0213 39.7759 175.4173 99 S 4.0419 8.8202 122.3368 58.5358 62.4494 173.9575 100 K 3.9842 8.7617 129.4063 59.3950 32.2692 178.7454 101 K 3.8101 7.9094 118.1715 59.0805 32.2616 176.7525 102 H 4.6049 8.3100 115.2158 55.0806 29.4429 176.4496 103 A 3.9564 7.7522 125.1018 55.3838 18.1657 180.9289 104 E 3.7022 7.9109 111.3963 58.4680 29.6338 177.7014 105 K 3.9835 7.6241 117.6176 55.7618 32.6072 175.9014 106 N 3.9666 7.7283 115.5064 53.9656 36.4345 174.5631 107 W 5.0354 7.8712 118.0265 56.0100 30.6802 176.7904 108 F 5.4423 9.1366 123.6827 55.4190 41.2891 175.5684 109 V 3.9830 8.9719 121.3238 62.9113 32.5171 175.1864 110 G 4.4506 8.6609 113.0533 45.1437 0.0000 171.3615 111 L 5.2902 8.6322 122.0713 52.4766 45.0883 176.9848 112 K 4.1106 9.7274 125.7848 56.0448 32.9348 179.1214 113 K 3.9509 8.4067 121.5278 57.2449 31.6136 177.3608 114 N 4.5908 8.0635 112.3806 53.3756 37.9971 175.9581 115 G 3.4065 8.2742 108.7423 45.1041 0.0000 173.1378 116 S 4.7037 8.6428 115.1897 56.9993 64.0357 173.7258 117 V 3.7555 8.2961 124.4224 63.0630 32.3812 175.6989 118 K 4.4429 9.0385 128.8712 54.9804 33.0511 177.1263 119 R 3.9497 8.6721 123.8841 56.2593 30.0632 174.5532 120 G 3.5424 8.7204 112.2890 47.6813 0.0000 174.2118 121 P 4.3450 0.0000 0.0000 64.9962 31.2232 177.5663 122 R 4.4130 7.9295 116.4687 56.0864 29.7658 181.3278 123 T 5.1352 7.8001 107.9811 60.7075 70.9228 173.4319 124 H 4.7057 7.7622 114.8592 55.0592 30.2640 173.3232 125 Y 4.0195 8.8279 118.6418 59.9502 38.1239 177.0873 126 G 4.0593 8.9946 111.5457 45.4850 0.0000 173.9671 127 Q 4.1358 7.6440 120.8926 56.0407 29.7973 177.5796 128 K 3.9285 8.2251 120.0914 56.3447 32.6141 180.0369 129 A 4.0708 8.0085 120.0831 54.3704 18.3754 178.7576 130 I 4.3826 7.1485 106.3487 61.0386 38.7307 175.5563 131 L 4.2699 7.2694 122.9391 54.2265 42.4800 175.9406 132 F 5.3824 9.4339 122.4324 55.5050 43.3981 173.9641 133 L 5.2631 9.3282 123.5350 52.5834 44.8570 173.9034 134 P 5.1072 0.0000 0.0000 63.0561 32.2511 175.6167 135 L 5.1108 9.3629 122.1008 52.0432 46.3736 174.1329 136 P 4.6610 0.0000 0.0000 62.6400 32.3113 176.8018 137 V 3.7220 8.2284 114.0694 61.8483 31.5124 176.1454 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 4.62 0.00 3.14 3.33 0.00 5.64 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 1D H 8.64 4.58 0.00 3.19 3.17 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 7.64 5.10 0.00 3.21 3.36 0.00 5.71 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 8.92 4.59 0.00 3.31 3.40 0.00 5.66 0.00 0.00 0.00 0.00 6.81 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 4.83 0.00 2.82 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 2 N 8.50 4.62 0.00 2.95 2.78 0.00 0.00 6.89 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 8.04 4.78 0.00 1.47 1.41 0.60 0.35 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 4.54 0.00 2.15 2.20 0.00 3.44 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 5 P 0.00 4.25 0.00 2.17 2.20 0.00 3.75 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 1.96 1.94 0.00 6 G 7.83 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 0.00 0.00 0.00 7 N 8.05 4.49 0.00 2.56 2.62 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 7.77 4.88 0.00 3.07 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 9 K 8.62 4.00 0.00 1.82 1.92 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.53 7.81 10 K 7.61 4.78 0.00 1.72 1.52 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.24 0.95 7.81 11 P 0.00 4.83 0.00 2.06 2.08 0.00 3.75 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 12 K 9.40 4.80 0.00 1.37 1.67 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.75 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.27 1.29 7.81 13 L 9.26 4.95 0.00 1.72 1.67 0.45 0.87 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 14 L 8.68 5.03 0.00 1.59 1.66 0.34 0.90 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 15 Y 9.28 4.84 0.00 3.23 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 16 C 8.71 4.23 0.00 2.34 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 7.99 3.83 0.00 3.90 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 18 N 7.66 4.03 0.00 2.55 2.78 0.00 0.00 6.70 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 7.67 3.87 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 0.00 0.00 0.00 20 G 7.80 3.34 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 0.00 21 H 7.27 4.76 0.00 3.04 3.20 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 8.99 5.26 0.00 3.11 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 23 L 9.17 4.47 0.00 1.84 1.54 0.99 0.58 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 10.19 4.94 0.00 1.96 2.06 0.00 3.22 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 25 I 8.17 4.84 1.83 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 0.73 0.88 0.00 0.00 26 L 9.35 4.09 0.00 1.84 1.52 0.92 0.24 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 27 P 0.00 4.20 0.00 2.00 2.08 0.00 3.50 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.90 0.00 28 D 7.96 4.49 0.00 2.78 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 29 G 8.58 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 0.00 0.00 0.00 0.00 30 T 8.58 4.29 4.36 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 1.22 0.00 0.00 31 V 7.87 4.86 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 0.83 0.00 0.00 0.94 0.00 0.00 32 D 8.86 4.57 0.00 2.77 2.74 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 0.00 0.00 0.00 0.00 33 G 8.51 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 0.00 0.00 0.00 0.00 34 T 9.02 5.00 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 1.36 0.00 0.00 35 R 8.87 4.36 0.00 1.90 2.02 0.00 3.24 0.00 0.00 3.11 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.53 0.00 36 D 8.23 4.53 0.00 2.83 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 37 R 8.59 3.64 0.00 1.88 1.90 0.00 3.30 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.02 0.00 38 S 8.70 4.30 0.00 3.94 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 39 D 7.73 4.30 0.00 2.77 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 40 Q 8.55 4.26 0.00 1.86 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.00 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 41 H 9.62 4.87 0.00 3.26 3.50 0.00 5.78 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 42 I 6.97 4.52 1.89 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.04 1.03 0.00 0.00 43 Q 7.80 4.25 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.89 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 44 L 8.91 5.13 0.00 1.51 1.45 0.82 0.91 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 9.15 4.79 0.00 2.09 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 46 L 8.59 5.15 0.00 1.64 1.16 0.88 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.40 4.64 0.00 3.95 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 48 A 8.56 4.81 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 49 E 9.07 4.20 0.00 1.67 1.56 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 2.16 2.34 0.00 50 S 5.81 4.59 0.00 4.27 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 8.22 3.76 2.32 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 0.92 0.00 0.00 1.03 0.00 0.00 52 G 9.25 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 0.00 0.00 0.00 53 E 8.38 5.24 0.00 2.13 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 2.30 0.00 54 V 8.87 4.91 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 0.55 0.00 0.00 1.13 0.00 0.00 55 Y 8.93 5.25 0.00 2.95 3.03 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 0.00 0.00 0.00 0.00 56 I 8.63 4.56 1.72 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 0.95 0.57 0.68 0.00 0.00 57 K 8.69 4.64 0.00 1.44 1.51 0.00 1.22 0.00 0.00 0.81 0.00 0.00 2.67 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.93 0.48 7.81 58 S 8.68 4.51 0.00 3.86 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 59 T 8.66 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 1.21 0.00 0.00 60 E 8.38 4.02 0.00 1.99 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 0.00 2.25 2.38 0.00 61 T 8.03 4.14 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 1.22 0.00 0.00 62 G 8.39 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 63 Q 7.55 4.42 0.00 1.94 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 64 Y 8.86 4.96 0.00 2.92 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 65 L 9.14 4.41 0.00 1.60 1.48 0.80 0.31 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 66 A 8.75 5.11 0.52 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 67 M 8.53 5.36 0.00 2.23 2.24 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.65 0.00 68 D 9.79 5.26 0.00 2.98 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 69 T 8.54 4.15 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 8.43 4.63 0.00 2.77 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 71 G 8.47 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 0.00 0.00 0.00 72 L 8.03 4.76 0.00 1.93 1.60 0.88 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.45 5.22 0.00 1.56 1.60 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 8.82 4.94 0.00 2.98 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 75 G 8.94 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 0.00 0.00 0.00 0.00 76 S 9.14 5.09 0.00 3.84 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 77 Q 9.06 4.29 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.55 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 78 T 7.83 4.70 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 1.22 0.00 0.00 79 P 0.00 3.86 0.00 0.92 0.49 0.00 3.48 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.17 0.00 80 N 7.32 4.80 0.00 2.96 2.99 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 8.72 3.99 0.00 2.11 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 2.36 2.34 0.00 82 E 8.90 4.20 0.00 2.22 2.24 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 2.38 2.44 0.00 83 C 7.96 5.00 0.00 3.23 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 84 L 7.13 4.18 0.00 1.40 1.30 0.80 -0.05 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 8.98 5.18 0.00 3.12 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 86 L 9.35 4.82 0.00 1.53 1.64 0.95 0.10 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 8.75 4.42 0.00 2.13 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 0.00 2.19 1.89 0.00 88 R 8.53 4.83 0.00 1.77 1.79 0.00 3.02 0.00 0.00 2.87 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.62 0.00 89 L 8.76 4.65 0.00 1.72 1.60 1.01 0.73 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 90 E 9.07 4.69 0.00 2.20 1.88 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 2.30 2.43 0.00 91 E 9.76 3.99 0.00 2.45 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 2.41 0.00 92 N 8.60 4.32 0.00 2.86 2.90 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 8.50 4.79 0.00 2.85 2.96 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 7.71 4.57 0.00 3.02 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 95 N 9.78 5.67 0.00 3.02 2.57 0.00 0.00 6.97 7.38 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 96 T 8.73 5.24 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 8.72 5.00 0.00 2.72 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 8.45 4.67 1.67 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 -0.21 0.64 0.62 0.00 0.00 99 S 8.82 4.04 0.00 4.06 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 0.00 100 K 8.76 3.98 0.00 1.71 1.66 0.00 1.61 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 1.32 7.81 101 K 7.91 3.81 0.00 1.61 1.65 0.00 1.83 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.99 1.30 7.81 102 H 8.31 4.60 0.00 3.21 2.52 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 3.96 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 0.00 104 E 7.91 3.70 0.00 1.77 1.65 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 2.08 2.12 0.00 105 K 7.62 3.98 0.00 0.79 1.09 0.00 0.61 0.00 0.00 0.69 0.00 0.00 2.56 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.98 0.81 7.81 106 N 7.73 3.97 0.00 3.02 3.11 0.00 0.00 6.92 7.24 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 0.00 107 W 7.87 5.04 0.00 3.32 3.08 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 0.00 108 F 9.14 5.44 0.00 2.85 3.03 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 0.00 0.00 0.00 0.00 109 V 8.97 3.98 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 0.63 0.00 0.00 0.48 0.00 0.00 110 G 8.66 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.63 5.29 0.00 1.46 1.46 1.01 0.81 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 K 9.73 4.11 0.00 1.85 1.68 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.58 7.81 113 K 8.41 3.95 0.00 1.77 1.73 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.00 7.81 114 N 8.06 4.59 0.00 2.77 2.93 0.00 0.00 6.22 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 8.27 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 0.00 116 S 8.64 4.70 0.00 3.84 4.02 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 0.00 117 V 8.30 3.76 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 0.82 0.00 0.00 0.96 0.00 0.00 118 K 9.04 4.44 0.00 1.66 1.71 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.33 1.38 7.81 119 R 8.67 3.95 0.00 1.73 1.84 0.00 3.29 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.23 0.00 120 G 8.72 3.54 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 0.00 121 P 0.00 4.35 0.00 2.13 2.29 0.00 3.05 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 1.69 1.47 0.00 122 R 7.93 4.41 0.00 1.81 1.85 0.00 3.25 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.42 0.00 123 T 7.80 5.14 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 7.76 4.71 0.00 3.47 3.55 0.00 5.67 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 8.83 4.02 0.00 3.14 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 8.99 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 7.64 4.14 0.00 1.89 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.66 0.00 0.00 0.00 0.00 0.00 2.16 1.96 0.00 128 K 8.23 3.93 0.00 1.68 1.80 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.00 7.81 129 A 8.01 4.07 1.21 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 0.00 130 I 7.15 4.38 1.65 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 1.27 0.83 0.47 0.00 0.00 131 L 7.27 4.27 0.00 0.98 0.61 0.38 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 132 F 9.43 5.38 0.00 3.40 3.13 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 0.00 133 L 9.33 5.26 0.00 2.05 1.78 0.79 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 5.11 0.00 2.22 2.19 0.00 3.86 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 2.06 2.13 0.00 135 L 9.36 5.11 0.00 1.66 1.60 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.66 0.00 2.07 2.05 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 137 V 8.23 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 0.65 0.00 0.00 0.91 0.00 0.00