NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3345 8.2601 123.5852 52.2703 19.8465 174.7449 3 A 4.4560 7.9645 119.6209 51.2081 23.1460 170.6961 4 V 4.2439 9.0491 125.7551 60.5808 35.8539 172.8673 5 T 4.6163 8.5662 125.8578 62.0268 69.6368 174.3376 6 Q 5.0350 8.7251 126.8777 55.6339 29.6882 176.0075 7 S 4.9223 8.9692 118.3542 55.8853 66.5239 172.2987 8 P 4.9353 0.0000 0.0000 62.1471 32.6823 176.3029 9 R 4.2408 8.5109 117.5628 58.6001 31.1474 176.6116 10 N 5.5135 8.0232 114.0494 51.3683 41.9745 174.1203 11 K 4.6741 9.3097 123.0331 55.1536 36.5147 175.1481 12 V 4.7996 8.3570 118.0065 59.6755 34.6041 174.7841 13 A 5.4346 9.7637 127.7028 49.7828 23.1079 174.6713 14 V 4.5157 8.4797 120.5964 61.0689 33.6715 175.5226 15 T 4.0934 8.4998 117.1773 63.6027 68.7166 174.5251 16 G 3.8903 9.1133 112.4832 45.3047 0.0000 173.4418 17 E 4.0490 8.0758 121.2008 56.0901 31.1877 175.8316 18 K 4.6404 8.4706 125.9541 55.1789 32.8443 175.2049 19 V 4.2602 7.9735 128.0974 61.5849 33.8255 174.8472 20 T 4.6628 8.1380 122.3338 61.8152 71.5182 173.1529 21 L 4.5441 8.0122 126.9762 53.7993 43.4136 176.4169 22 S 5.3491 9.0475 119.4574 57.2076 66.5346 172.5479 23 C 5.3500 9.1056 121.9060 55.4776 42.0084 172.2711 24 Q 5.3549 8.9681 127.4097 54.3143 31.3310 174.1774 25 Q 5.3094 9.0246 123.5433 53.9308 31.3360 175.0867 26 T 4.6154 8.1771 111.8984 63.5943 71.3262 176.0081 27 N 3.9566 8.2916 116.8230 53.5624 38.8460 174.2408 28 N 4.0590 7.1858 115.3798 54.7804 37.6989 173.3142 29 H 4.8773 7.7649 112.5571 54.1360 30.1316 175.7949 30 N 4.4693 8.9642 121.0716 55.7417 38.8101 174.9990 31 N 5.6609 7.7373 114.3411 51.1959 41.4559 174.2820 32 M 5.1554 7.3963 119.5641 54.2678 37.2739 173.4080 33 Y 5.1645 9.2450 117.0983 56.4294 43.3412 174.2838 34 W 5.4721 9.1494 121.2177 55.3131 32.5794 174.1619 35 Y 6.1720 11.0975 122.1401 55.3258 42.0715 174.4630 36 R 4.8110 8.7427 118.3384 54.5797 32.1142 174.6602 37 Q 4.9622 9.0304 125.9054 53.9557 29.4896 173.8671 38 D 4.5121 9.1281 126.5694 54.9577 40.9494 179.6313 39 T 3.0542 7.1608 118.0300 63.7278 70.1618 174.6528 40 G 3.9663 7.9837 113.0960 49.9095 0.0000 176.1634 41 H 4.8400 7.6302 117.7684 54.3083 29.9954 175.1191 42 G 4.2492 8.7312 115.6318 47.2755 0.0000 173.4884 43 L 4.6486 9.1610 131.0922 53.0652 43.4385 173.8460 44 R 4.8132 8.7180 124.7215 54.3690 32.8961 175.1392 45 L 4.5435 8.5901 124.5492 54.7925 43.3182 176.0141 46 I 4.4334 9.1113 127.4677 62.3307 38.4533 175.2465 47 H 5.5810 8.0162 117.1649 54.4675 33.7654 171.1131 48 Y 5.1565 8.9256 118.0020 55.7790 42.3460 173.7391 49 S 4.2780 8.0990 113.1520 56.7883 65.8904 173.6140 50 Y 5.0822 8.5482 123.2181 55.7709 38.0455 175.5824 51 G 4.1091 6.8687 110.8703 44.4095 0.0000 172.4090 52 V 3.9178 7.5716 119.7186 62.5222 31.9421 176.9466 53 G 3.9194 8.7721 111.1907 45.2683 0.0000 172.4600 54 N 5.1673 7.6663 117.8490 51.8398 41.1691 173.7808 55 T 4.7478 8.2361 114.2721 60.2950 72.0876 172.6671 56 E 4.6413 9.0493 123.2998 54.0270 34.0066 175.2698 57 K 4.3175 8.6922 121.6111 56.1462 32.5605 177.3801 58 G 4.2752 8.6433 114.7783 47.0466 0.0000 175.1775 59 D 4.7780 9.9297 123.5448 55.4530 41.6338 177.0076 60 I 4.5768 7.4669 111.7001 58.3159 37.4531 173.6839 61 P 4.3711 0.0000 0.0000 65.7682 32.3550 177.5378 62 D 4.6092 8.1540 117.9784 56.1510 40.6987 177.1150 63 G 3.7992 9.1409 110.9051 45.4619 0.0000 172.0012 64 Y 5.2451 7.9476 115.8720 56.3001 41.8192 174.2396 65 E 4.8314 8.8336 119.3135 55.4135 34.5429 173.9771 66 A 4.7534 8.1427 120.0525 51.9611 22.2514 175.6288 67 S 4.5574 8.3895 112.1230 56.9444 66.4212 173.7408 68 R 5.3061 8.4711 124.5476 52.9803 28.6928 173.9407 69 P 4.4253 0.0000 0.0000 64.8916 32.3003 176.8574 70 S 4.5821 7.6964 112.2973 57.1454 65.7335 174.4132 71 H 3.9149 9.0863 121.0385 59.4548 29.4803 176.0251 72 E 4.2423 8.2148 115.0013 57.2048 30.1123 175.1719 73 Q 5.2439 7.9196 121.9836 54.4037 32.0906 174.1131 74 F 5.5267 9.0988 127.9801 57.3117 42.4971 173.4632 75 S 5.0381 9.2061 122.4526 56.6572 66.1841 172.8060 76 L 4.2728 7.6912 124.9537 53.2545 44.4095 175.2553 77 I 4.7544 8.1072 125.1891 59.4773 40.7856 174.5471 78 L 4.5513 8.2785 128.5830 53.6614 41.8720 178.2206 79 V 3.6518 7.8141 125.3334 64.3170 32.0224 177.0305 80 S 4.5501 7.7365 117.3972 56.0224 64.7554 173.4752 81 A 4.2142 9.0204 128.4734 53.1739 19.1470 177.0480 82 T 4.6168 8.6415 113.1550 59.4470 71.4407 174.3675 83 P 4.6037 0.0000 0.0000 65.0439 31.6043 178.4620 84 S 4.3409 8.1472 112.0978 60.2995 62.7507 174.5609 85 Q 4.6575 7.4782 119.2099 55.7776 28.7183 175.3667 86 S 4.5232 8.5383 116.3540 59.2023 63.3689 173.6795 87 S 4.5030 8.7509 118.9400 58.3759 67.1984 174.7659 88 V 5.4199 7.5561 119.8451 60.9215 34.0548 174.0887 89 Y 5.1916 8.2653 122.9137 56.3163 41.3125 174.1028 90 F 5.5131 10.6141 123.6001 55.9293 42.2967 173.5327 91 C 4.2478 10.0414 123.4074 54.7207 43.4381 172.3030 92 A 5.0517 8.7214 125.7855 50.4227 22.8448 174.9183 93 S 5.2612 8.4271 113.6134 56.9748 66.6361 172.9827 94 G 4.6094 8.9777 106.2289 47.0347 0.0000 173.0715 95 V 4.6065 7.9506 118.9711 61.1914 34.9494 174.0867 96 G 3.9354 8.6882 112.8043 47.0139 0.0000 174.1393 97 G 3.9953 8.8189 115.0382 45.4158 0.0000 172.2607 98 T 4.6052 7.5048 109.6008 59.5755 71.1904 173.3799 99 L 5.0703 8.3563 124.3344 53.2224 44.7607 175.5131 100 Y 4.5482 9.8148 123.0796 56.5612 38.9399 175.7938 101 F 4.7952 9.0324 123.4773 57.1297 40.7157 174.3063 102 G 4.5501 8.9954 106.3600 43.0879 0.0000 173.8100 103 A 4.2709 8.8773 121.8005 53.6852 18.4662 178.5511 104 G 3.4069 8.6432 99.6331 45.2273 0.0000 173.1013 105 T 4.8910 8.0152 114.4220 61.8878 72.9331 173.2228 106 R 4.7761 9.0581 127.8294 55.2575 32.0225 174.8184 107 L 5.1971 9.3811 127.8105 53.6323 45.5624 174.9035 108 S 4.8839 10.3890 123.2540 57.0087 65.0264 173.5626 109 V 4.5656 9.1302 126.9699 60.9189 33.0353 175.6026 110 L 4.2981 9.1155 128.0421 54.9715 41.1693 177.2502 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 2 A 8.26 4.33 1.27 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 3 A 7.96 4.46 1.27 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 4 V 9.05 4.24 2.16 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 1.02 0.00 0.00 1.03 0.00 0.00 5 T 8.57 4.62 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 1.26 0.00 0.00 6 Q 8.73 5.04 0.00 2.07 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.71 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 7 S 8.97 4.92 0.00 3.90 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 8 P 0.00 4.94 0.00 2.35 2.10 0.00 3.75 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 1.97 1.96 0.00 9 R 8.51 4.24 0.00 1.79 2.04 0.00 3.48 0.00 0.00 3.38 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.64 0.00 10 N 8.02 5.51 0.00 2.56 2.68 0.00 0.00 6.59 7.61 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 11 K 9.31 4.67 0.00 1.77 1.57 0.00 1.44 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.29 1.44 7.81 12 V 8.36 4.80 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 0.77 0.00 0.00 0.93 0.00 0.00 13 A 9.76 5.43 1.16 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 14 V 8.48 4.52 2.06 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 1.07 0.00 0.00 0.92 0.00 0.00 15 T 8.50 4.09 4.30 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 1.23 0.00 0.00 16 G 9.11 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.08 4.05 0.00 2.14 1.83 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 2.25 2.22 0.00 18 K 8.47 4.64 0.00 1.74 1.67 0.00 1.76 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.26 1.61 7.81 19 V 7.97 4.26 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 0.77 0.00 0.00 0.84 0.00 0.00 20 T 8.14 4.66 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 1.13 0.00 0.00 21 L 8.01 4.54 0.00 0.86 1.40 -0.09 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 22 S 9.05 5.35 0.00 3.82 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 23 C 9.11 5.35 0.00 3.00 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 24 Q 8.97 5.35 0.00 2.33 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.36 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 25 Q 9.02 5.31 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.55 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 26 T 8.18 4.62 4.43 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 1.18 0.00 0.00 27 N 8.29 3.96 0.00 2.08 2.09 0.00 0.00 6.89 8.00 0.00 0.00 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 N 7.19 4.06 0.00 2.58 2.81 0.00 0.00 7.13 7.77 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 29 H 7.76 4.88 0.00 3.26 3.34 0.00 5.74 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 30 N 8.96 4.47 0.00 2.76 2.92 0.00 0.00 6.89 8.00 0.00 0.00 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 N 7.74 5.66 0.00 2.83 2.40 0.00 0.00 6.44 7.42 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 32 M 7.40 5.16 0.00 1.86 1.25 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 2.43 2.51 0.00 33 Y 9.25 5.16 0.00 2.74 2.36 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 34 W 9.15 5.47 0.00 3.24 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 35 Y 11.10 6.17 0.00 3.18 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 36 R 8.74 4.81 0.00 0.87 1.86 0.00 2.77 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.49 0.00 37 Q 9.03 4.96 0.00 2.28 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 38 D 9.13 4.51 0.00 2.83 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 39 T 7.16 3.05 4.25 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 1.22 0.00 0.00 40 G 7.98 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 41 H 7.63 4.84 0.00 3.19 2.86 0.00 5.81 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.73 4.25 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 0.00 0.00 0.00 43 L 9.16 4.65 0.00 1.38 1.33 0.77 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.72 4.81 0.00 1.92 1.90 0.00 3.17 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 45 L 8.59 4.54 0.00 1.89 1.59 0.43 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 46 I 9.11 4.43 1.84 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.94 0.34 0.00 0.00 47 H 8.02 5.58 0.00 3.15 3.25 0.00 5.56 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 48 Y 8.93 5.16 0.00 2.33 2.80 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 49 S 8.10 4.28 0.00 3.44 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 50 Y 8.55 5.08 0.00 3.03 2.85 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 51 G 6.87 4.11 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 0.00 0.00 0.00 52 V 7.57 3.92 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 0.64 0.00 0.00 0.91 0.00 0.00 53 G 8.77 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 0.00 0.00 0.00 54 N 7.67 5.17 0.00 2.69 2.79 0.00 0.00 6.88 8.04 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 55 T 8.24 4.75 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 1.30 0.00 0.00 56 E 9.05 4.64 0.00 1.16 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 0.00 1.98 2.11 0.00 57 K 8.69 4.32 0.00 1.69 1.77 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.54 1.50 7.81 58 G 8.64 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 59 D 9.93 4.78 0.00 2.57 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 60 I 7.47 4.58 1.94 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.94 0.95 0.00 0.00 61 P 0.00 4.37 0.00 2.27 2.27 0.00 3.76 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.01 0.00 62 D 8.15 4.61 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 63 G 9.14 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 64 Y 7.95 5.25 0.00 2.96 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 65 E 8.83 4.83 0.00 1.80 1.75 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 2.20 2.20 0.00 66 A 8.14 4.75 1.05 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 67 S 8.39 4.56 0.00 3.84 3.65 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 68 R 8.47 5.31 0.00 2.00 1.75 0.00 3.66 0.00 0.00 2.97 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.57 0.00 69 P 0.00 4.43 0.00 2.24 2.19 0.00 4.04 0.00 0.00 3.74 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 70 S 7.70 4.58 0.00 4.01 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 71 H 9.09 3.91 0.00 3.13 3.39 0.00 5.74 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.21 4.24 0.00 2.31 2.20 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 2.38 2.25 0.00 73 Q 7.92 5.24 0.00 2.26 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 74 F 9.10 5.53 0.00 2.88 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 75 S 9.21 5.04 0.00 3.67 3.60 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 76 L 7.69 4.27 0.00 0.27 0.13 0.79 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 77 I 8.11 4.75 1.76 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 1.10 0.49 0.85 0.00 0.00 78 L 8.28 4.55 0.00 1.49 1.48 0.63 0.51 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 79 V 7.81 3.65 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 0.59 0.00 0.00 0.87 0.00 0.00 80 S 7.74 4.55 0.00 3.92 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 81 A 9.02 4.21 1.23 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 0.00 0.00 0.00 82 T 8.64 4.62 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 1.16 0.00 0.00 83 P 0.00 4.60 0.00 2.25 2.34 0.00 3.86 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 2.07 1.91 0.00 84 S 8.15 4.34 0.00 4.03 4.07 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 85 Q 7.48 4.66 0.00 2.12 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.89 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 86 S 8.54 4.52 0.00 3.88 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 87 S 8.75 4.50 0.00 3.80 3.23 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 0.00 88 V 7.56 5.42 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 1.01 0.00 0.00 0.97 0.00 0.00 89 Y 8.27 5.19 0.00 3.13 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 90 F 10.61 5.51 0.00 3.11 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 91 C 10.04 4.25 0.00 1.23 2.53 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 0.00 92 A 8.72 5.05 0.48 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 0.00 0.00 93 S 8.43 5.26 0.00 4.02 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 94 G 8.98 4.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 7.95 4.61 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 0.70 0.00 0.00 0.95 0.00 0.00 96 G 8.69 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 97 G 8.82 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.50 4.61 4.18 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 nan 0.00 0.00 99 L 8.36 5.07 0.00 1.42 1.35 0.49 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 9.81 4.55 0.00 2.86 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 0.00 101 F 9.03 4.80 0.00 2.84 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 0.00 102 G 9.00 4.55 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 0.00 0.00 0.00 103 A 8.88 4.27 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 G 8.64 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 0.00 105 T 8.02 4.89 4.43 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 1.31 0.00 0.00 106 R 9.06 4.78 0.00 1.89 1.91 0.00 3.05 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 107 L 9.38 5.20 0.00 1.85 1.88 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 108 S 10.39 4.88 0.00 3.91 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 0.00 109 V 9.13 4.57 2.16 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 1.01 0.00 0.00 0.93 0.00 0.00 110 L 9.12 4.30 0.00 1.53 1.56 0.92 0.96 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