NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.2780 8.1849 120.6220 54.1220 42.0140 176.4505 3 R 3.8976 8.0293 123.1028 53.4385 31.9189 174.9961 4 P 4.2272 0.0000 0.0000 66.1786 31.8668 178.8696 5 K 3.6886 7.9957 117.7768 58.6069 32.0179 179.1810 6 A 4.0041 7.8940 120.9247 54.9464 17.8354 179.1640 7 L 3.8862 8.7438 120.0469 58.7969 42.2528 179.3085 8 T 4.1747 8.6419 116.4065 66.4798 68.2210 176.5187 9 Q 4.0706 7.8410 122.6817 58.7339 28.9303 178.4863 10 V 3.6116 7.8222 118.3414 65.7967 31.9528 177.5606 11 L 4.1840 9.2325 119.5558 58.0130 41.4446 179.8237 12 S 4.3435 8.2167 115.1941 60.8422 62.6583 176.4439 13 Q 3.9987 8.1535 121.2363 58.5247 28.4934 177.8468 14 A 4.2213 7.6871 120.2288 53.4461 19.8479 177.9022 15 N 4.7965 7.5611 116.9070 52.0933 37.4122 174.1249 16 T 4.6653 7.0134 110.1417 60.7905 72.6214 175.0857 17 G 3.9034 9.2523 108.6004 46.7218 0.0000 174.8962 18 G 3.9902 8.3379 108.1392 44.6185 0.0000 174.2086 19 V 4.2102 7.3693 120.0745 62.6880 32.1191 175.3147 20 Q 4.3890 9.2331 124.7048 56.2525 31.2552 175.3866 21 S 5.1465 7.7812 113.4094 57.1834 66.8012 173.1850 22 T 5.2488 9.1558 118.9376 61.8271 72.1304 172.9411 23 L 5.3436 9.2842 125.6944 54.0347 44.7266 175.0332 24 L 5.2877 9.3658 120.6757 52.9798 44.4552 175.6645 25 L 5.3125 8.8131 123.1560 53.9509 44.7357 175.7015 26 N 4.9581 8.8527 117.9280 51.4784 38.6933 175.8858 27 N 4.3063 8.5588 115.2563 55.5980 38.5305 175.8741 28 E 4.3267 8.3888 116.5400 56.0675 29.8337 177.0051 29 G 3.9745 8.4724 108.7611 44.8769 0.0000 173.9284 30 S 4.4536 7.8699 115.1182 57.1360 64.2409 173.5886 31 L 4.5588 8.3822 124.2918 54.9003 42.1160 176.5024 32 L 4.7453 9.1264 122.9204 55.7738 43.9596 176.6312 33 A 4.8308 7.8276 118.0716 51.1746 22.5196 174.7993 34 Y 5.4381 7.8015 116.7841 56.1534 40.8285 174.1853 35 S 4.5401 9.3578 115.1272 57.1890 66.7823 174.7520 36 G 4.0497 7.7763 109.0194 45.3152 0.0000 170.4195 37 Y 4.6681 7.9804 119.5605 55.4494 41.0716 171.7621 38 G 3.6083 8.6651 104.6691 44.4530 0.0000 173.3367 39 D 4.5881 8.3906 117.4943 54.7825 41.1824 177.1216 40 T 4.1293 7.2553 109.6708 60.8607 70.1969 173.8887 41 D 4.6410 8.2343 121.9852 52.7680 42.9960 177.2777 42 A 3.9152 8.3920 128.7478 55.2422 18.3850 179.6492 43 R 3.7525 8.1819 116.9177 59.2869 30.0496 179.4355 44 V 3.5612 7.6974 117.5311 66.1740 31.7236 177.7866 45 T 3.8752 7.9642 115.3462 66.7741 68.2370 176.2342 46 A 3.9413 8.2839 122.3769 55.0476 18.4235 179.3378 47 A 3.9377 7.8533 119.1395 55.5584 18.3747 179.9887 48 I 3.6722 7.9912 117.9736 64.4071 37.1001 178.5026 49 A 4.0663 8.5579 122.2638 55.2823 18.2582 179.8720 50 S 4.1491 8.4199 113.0247 61.5654 63.0470 176.4172 51 N 4.3590 8.3808 120.1017 56.2466 38.4534 177.4556 52 I 3.7808 8.1014 121.3176 64.0264 37.1302 178.2296 53 W 4.0907 8.6754 129.3402 60.5736 30.4992 177.8770 54 A 4.0651 8.3776 120.4343 54.9492 17.8729 179.4415 55 A 3.8004 7.9551 119.2533 55.7344 18.5239 179.5946 56 Y 4.2416 7.6482 115.7273 60.0573 37.6422 178.0295 57 D 4.0362 7.9509 119.1185 57.1088 41.5919 178.0502 58 R 4.0528 8.0708 118.9410 59.4085 29.6895 178.9057 59 N 4.4492 8.0990 116.2442 55.5876 36.9197 177.2932 60 G 3.6454 8.0935 108.3059 47.3393 0.0000 174.6351 61 N 4.6728 7.8951 116.2245 54.3061 38.6684 176.5448 62 Q 4.1167 7.8177 119.7000 56.8440 29.2947 176.3743 63 A 4.1874 7.0206 123.1641 51.6448 18.9692 177.0651 64 F 4.2088 8.8813 124.6834 61.0762 39.6324 175.6724 65 N 4.4403 7.8531 116.2034 50.9652 38.8021 173.9888 66 E 4.0597 8.3359 120.0120 56.3114 30.0517 176.8027 67 D 4.7195 8.1754 125.5935 52.9736 41.8604 173.8764 68 S 4.4838 7.9116 116.7302 56.2333 64.7553 174.9057 69 L 3.8973 8.3251 124.3386 55.5670 42.1214 176.7530 70 K 4.8031 8.4422 123.7340 57.1442 34.7339 175.9541 71 F 5.0336 7.7334 117.5023 57.2266 42.4471 173.4212 72 I 4.7239 8.6843 125.6327 59.5005 40.8195 174.2400 73 L 5.3680 8.6802 125.6878 53.2435 44.5472 175.7161 74 M 4.8119 9.4286 122.0076 53.5114 35.9935 173.8609 75 D 5.2342 8.9075 122.5454 52.9722 42.6859 174.8713 76 C 4.9833 8.7390 122.8886 57.5573 31.7407 174.9530 77 M 4.1352 8.7659 119.8955 58.5841 31.4050 177.6050 78 E 4.7706 7.7225 115.5506 55.4276 31.3256 175.9158 79 G 3.8606 7.1996 104.2339 46.0587 0.0000 173.1880 80 R 5.2026 8.4935 119.4367 54.0541 33.9918 175.0972 81 V 4.8761 8.7677 121.8790 61.0044 34.9295 173.9162 82 A 5.3310 8.9157 128.8353 50.2714 22.0211 175.2371 83 I 4.9002 8.6321 121.6752 59.9704 41.5678 174.7125 84 T 4.3212 8.2759 119.6708 61.4112 71.4047 171.6700 85 R 4.7788 8.2383 121.5189 54.4136 32.0011 176.9992 86 V 4.3906 8.2634 122.0283 60.6703 34.5554 175.2484 87 A 3.5188 8.0929 129.0948 53.7244 17.9557 176.7453 88 N 4.6938 8.8323 116.3432 55.6677 38.8580 173.9587 89 L 4.5785 8.3735 118.7993 53.3413 44.7641 174.8825 90 L 4.8004 8.5163 119.5898 52.9189 44.6381 175.6376 91 L 4.9552 8.5749 125.3592 53.5899 44.3318 174.5488 92 C 5.2775 9.1008 126.1169 57.8324 34.8778 172.2266 93 M 5.2721 8.9703 125.2769 53.6598 35.1029 173.8543 94 Y 5.0808 9.1232 124.4424 55.8432 41.3989 174.2718 95 A 5.3502 8.8362 127.8080 49.6384 23.5946 175.2992 96 K 4.4768 8.7780 118.6771 56.6933 33.7679 178.1411 97 E 4.0988 8.8987 120.4338 58.3345 29.4222 177.7704 98 T 4.2301 7.5302 107.9178 61.4236 69.7108 174.9654 99 V 3.7462 7.4525 123.4849 62.2073 32.2368 176.5861 100 G 3.6846 8.4393 113.4811 44.4461 0.0000 174.2827 101 F 4.5864 8.4637 121.3396 60.5749 38.9962 178.3849 102 G 3.6010 8.1496 104.6058 48.1359 0.0000 175.3060 103 M 4.0710 7.9795 120.6323 57.9445 32.2733 177.8634 104 L 3.9839 8.2270 120.7952 58.1035 42.2831 178.8712 105 K 3.9212 8.1728 119.3928 59.2611 32.0090 178.5434 106 A 3.9311 7.9157 120.9995 55.1580 18.4983 179.6567 107 K 3.8815 8.4527 117.1213 59.6213 32.1473 179.4498 108 A 4.1097 8.3541 120.9897 55.4314 18.3971 179.7279 109 Q 4.0831 8.6874 116.8079 58.9827 28.7561 178.9352 110 A 4.0256 8.1061 121.8940 55.0701 18.3829 179.3482 111 L 3.9964 7.8679 118.4947 58.2954 42.1615 179.2812 112 V 3.6173 8.0218 118.1215 66.3213 31.3578 178.0997 113 Q 4.0591 8.3122 117.7124 58.9997 28.2994 178.1211 114 Y 4.2985 8.0336 119.7353 60.8512 38.9896 177.8139 115 L 3.9630 8.2264 118.9680 57.2922 41.7641 178.5874 116 E 4.2869 8.0369 117.0207 57.2870 29.8691 176.6739 117 E 4.2659 7.6785 122.4603 56.6015 30.0996 176.1834 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 L 8.18 4.28 0.00 1.61 1.68 0.93 0.47 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 3 R 8.03 3.90 0.00 1.89 1.84 0.00 3.28 0.00 0.00 3.35 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 4 P 0.00 4.23 0.00 2.23 2.28 0.00 3.68 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 5 K 8.00 3.69 0.00 1.81 1.88 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.48 7.81 6 A 7.89 4.00 1.35 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 0.00 0.00 0.00 7 L 8.74 3.89 0.00 1.91 1.82 0.91 0.80 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 8 T 8.64 4.17 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 1.07 0.00 0.00 9 Q 7.84 4.07 0.00 2.45 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.22 0.00 10 V 7.82 3.61 2.31 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 1.07 0.00 0.00 1.14 0.00 0.00 11 L 9.23 4.18 0.00 1.89 1.72 0.93 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 12 S 8.22 4.34 0.00 4.07 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 13 Q 8.15 4.00 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.01 0.00 0.00 0.00 0.00 0.00 2.63 2.41 0.00 14 A 7.69 4.22 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 15 N 7.56 4.80 0.00 2.98 3.01 0.00 0.00 6.72 7.08 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 16 T 7.01 4.67 4.26 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 1.28 0.00 0.00 17 G 9.25 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 18 G 8.34 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 0.00 0.00 0.00 19 V 7.37 4.21 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 1.00 0.00 0.00 1.02 0.00 0.00 20 Q 9.23 4.39 0.00 1.20 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.50 0.00 0.00 0.00 0.00 0.00 2.51 2.01 0.00 21 S 7.78 5.15 0.00 3.84 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 22 T 9.16 5.25 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 1.24 0.00 0.00 23 L 9.28 5.34 0.00 1.68 1.80 0.96 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 24 L 9.37 5.29 0.00 1.70 1.58 0.91 0.76 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 25 L 8.81 5.31 0.00 1.72 1.69 0.94 0.45 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 26 N 8.85 4.96 0.00 2.94 2.98 0.00 0.00 7.38 7.81 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 27 N 8.56 4.31 0.00 2.74 2.97 0.00 0.00 6.84 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 28 E 8.39 4.33 0.00 2.16 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 2.29 2.25 0.00 29 G 8.47 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 30 S 7.87 4.45 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 31 L 8.38 4.56 0.00 1.68 1.74 0.56 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 32 L 9.13 4.75 0.00 1.46 1.69 0.91 0.08 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 33 A 7.83 4.83 1.17 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 34 Y 7.80 5.44 0.00 2.96 2.88 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 35 S 9.36 4.54 0.00 3.88 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 36 G 7.78 4.05 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 0.00 37 Y 7.98 4.67 0.00 3.02 2.92 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 38 G 8.67 3.61 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 39 D 8.39 4.59 0.00 2.65 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 40 T 7.26 4.13 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 0.51 0.00 0.00 41 D 8.23 4.64 0.00 2.74 2.50 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 0.00 42 A 8.39 3.92 1.04 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 0.00 0.00 43 R 8.18 3.75 0.00 2.05 1.92 0.00 3.06 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.44 0.00 44 V 7.70 3.56 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 1.07 0.00 0.00 0.90 0.00 0.00 45 T 7.96 3.88 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 1.30 0.00 0.00 46 A 8.28 3.94 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 47 A 7.85 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 48 I 7.99 3.67 1.91 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 1.48 0.75 0.96 0.00 0.00 49 A 8.56 4.07 1.35 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 0.00 0.00 0.00 50 S 8.42 4.15 0.00 4.27 4.15 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 51 N 8.38 4.36 0.00 2.97 2.93 0.00 0.00 7.02 7.01 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 52 I 8.10 3.78 1.99 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 1.50 1.02 1.11 0.00 0.00 53 W 8.68 4.09 0.00 3.54 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 54 A 8.38 4.07 1.47 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 0.00 0.00 0.00 55 A 7.96 3.80 1.17 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 56 Y 7.65 4.24 0.00 2.92 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 57 D 7.95 4.04 0.00 2.23 2.71 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 58 R 8.07 4.05 0.00 2.05 1.92 0.00 3.15 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 59 N 8.10 4.45 0.00 2.89 3.08 0.00 0.00 6.98 7.01 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 60 G 8.09 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 0.00 0.00 0.00 61 N 7.90 4.67 0.00 2.89 2.85 0.00 0.00 7.04 7.21 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 62 Q 7.82 4.12 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.86 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 63 A 7.02 4.19 1.35 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 0.00 0.00 0.00 64 F 8.88 4.21 0.00 2.96 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 65 N 7.85 4.44 0.00 2.86 2.94 0.00 0.00 5.96 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 66 E 8.34 4.06 0.00 1.91 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 2.28 2.27 0.00 67 D 8.18 4.72 0.00 2.62 2.50 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 0.00 68 S 7.91 4.48 0.00 4.06 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 69 L 8.33 3.90 0.00 1.29 1.23 0.61 -0.75 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 70 K 8.44 4.80 0.00 1.86 1.97 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.68 7.81 71 F 7.73 5.03 0.00 3.11 2.89 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 72 I 8.68 4.72 1.93 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.63 0.86 0.00 0.00 73 L 8.68 5.37 0.00 1.36 1.53 0.93 1.23 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 74 M 9.43 4.81 0.00 1.89 1.92 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.45 0.00 75 D 8.91 5.23 0.00 3.19 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 76 C 8.74 4.98 0.00 3.05 2.79 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 77 M 8.77 4.14 0.00 2.01 2.16 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 2.62 2.54 0.00 78 E 7.72 4.77 0.00 1.84 1.93 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 2.21 2.29 0.00 79 G 7.20 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 0.00 0.00 0.00 80 R 8.49 5.20 0.00 1.64 1.84 0.00 3.00 0.00 0.00 2.87 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.45 0.00 81 V 8.77 4.88 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 0.83 0.00 0.00 0.71 0.00 0.00 82 A 8.92 5.33 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 83 I 8.63 4.90 2.02 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.80 0.85 0.00 0.00 84 T 8.28 4.32 3.27 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 1.11 0.00 0.00 85 R 8.24 4.78 0.00 1.70 1.75 0.00 3.28 0.00 0.00 3.41 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.64 0.00 86 V 8.26 4.39 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 0.73 0.00 0.00 0.90 0.00 0.00 87 A 8.09 3.52 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 88 N 8.83 4.69 0.00 2.66 2.79 0.00 0.00 6.76 7.78 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 89 L 8.37 4.58 0.00 1.61 1.70 0.89 -0.46 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 90 L 8.52 4.80 0.00 1.33 1.16 0.70 -0.85 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 91 L 8.57 4.96 0.00 1.64 1.38 0.99 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 92 C 9.10 5.28 0.00 2.94 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 93 M 8.97 5.27 0.00 2.04 1.97 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 2.53 2.47 0.00 94 Y 9.12 5.08 0.00 3.05 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 95 A 8.84 5.35 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 96 K 8.78 4.48 0.00 1.86 1.99 0.00 1.33 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.64 1.42 7.81 97 E 8.90 4.10 0.00 1.90 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 2.49 2.36 0.00 98 T 7.53 4.23 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 1.18 0.00 0.00 99 V 7.45 3.75 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 0.76 0.00 0.00 1.02 0.00 0.00 100 G 8.44 3.68 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 0.00 0.00 0.00 101 F 8.46 4.59 0.00 3.11 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 0.00 102 G 8.15 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 0.00 0.00 0.00 103 M 7.98 4.07 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.66 0.00 104 L 8.23 3.98 0.00 1.95 1.92 0.99 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 105 K 8.17 3.92 0.00 1.72 1.60 0.00 1.22 0.00 0.00 1.31 0.00 0.00 2.47 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.79 0.21 7.81 106 A 7.92 3.93 1.41 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 0.00 107 K 8.45 3.88 0.00 2.09 1.92 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.48 1.59 7.81 108 A 8.35 4.11 1.67 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 0.00 0.00 109 Q 8.69 4.08 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 110 A 8.11 4.03 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 0.00 111 L 7.87 4.00 0.00 1.86 1.93 1.03 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.02 3.62 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 1.07 0.00 0.00 1.08 0.00 0.00 113 Q 8.31 4.06 0.00 2.36 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.59 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 114 Y 8.03 4.30 0.00 2.99 3.20 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 0.00 115 L 8.23 3.96 0.00 1.76 1.68 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.04 4.29 0.00 2.03 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 2.28 2.42 0.00 117 E 7.68 4.27 0.00 2.06 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 2.50 2.21 0.00