NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.5625 8.1076 122.4751 52.0181 20.5992 175.1703 2 S 5.3465 8.5528 113.2699 55.2533 66.5895 170.6247 3 Y 4.9891 9.4402 118.8787 56.0486 42.0831 174.7512 4 K 5.0966 8.6701 118.3195 54.9216 35.3775 176.0471 5 V 4.6360 8.4133 114.9948 60.1515 36.7883 173.4820 6 N 5.3323 8.6988 119.4015 52.0176 40.1951 174.6167 7 I 4.5493 8.5101 124.1249 58.5369 40.2487 173.6170 8 P 4.7970 0.0000 0.0000 63.1695 31.8189 176.1320 9 A 4.4335 8.5502 121.2450 51.3340 21.6533 177.1674 10 G 3.7790 8.2186 105.7506 43.8772 0.0000 170.9993 11 P 4.3652 0.0000 0.0000 62.2136 31.8524 175.5854 12 L 4.5078 7.9122 121.1478 52.9211 43.3668 176.4033 13 W 4.6827 9.1052 123.7315 57.0812 29.7677 176.6814 14 S 4.7920 7.2596 112.1667 56.4156 65.9066 175.4778 15 N 4.4975 8.8595 120.7520 56.7320 38.6405 176.7919 16 A 3.9735 8.0530 121.8433 55.1998 18.4926 179.0959 17 E 3.7574 8.2800 117.4489 59.2337 29.7497 178.6834 18 A 3.3446 7.6590 121.0767 55.2182 18.0198 179.6931 19 Q 4.4099 8.4880 115.0184 58.4812 28.7596 178.2933 20 Q 4.1744 7.2786 118.6548 58.0379 29.4757 177.8138 21 V 3.7267 8.1822 119.6256 65.2700 31.5468 177.9616 22 G 2.4447 7.7775 105.9162 47.2514 0.0000 173.7038 23 P 4.3170 0.0000 0.0000 64.9403 31.2979 178.9822 24 K 3.9057 7.7346 116.8233 59.3920 32.0838 179.3006 25 I 3.6225 7.7222 119.8494 64.1943 36.9513 178.1562 26 A 3.9890 8.2459 121.7212 55.3878 18.2677 179.5198 27 A 3.9072 8.2559 119.0792 55.3198 18.1778 179.7261 28 A 3.9068 7.8726 118.2615 54.4365 18.3504 178.5473 29 H 4.7182 7.5208 112.5150 54.6610 29.8187 174.3888 30 Q 3.4489 7.9805 117.8442 57.1577 26.7751 172.9560 31 G 4.3199 8.2382 104.3529 44.8160 0.0000 171.8263 32 N 5.2033 8.7207 116.4675 50.9097 41.6476 174.4335 33 F 4.9997 9.0861 126.9955 58.9535 39.7203 174.9124 34 T 3.9360 8.3968 115.7673 62.1064 68.8678 175.3938 35 G 3.4795 5.6366 110.0364 44.9224 0.0000 173.6677 36 Q 4.6290 7.3666 118.9581 55.1171 30.1505 175.2009 37 W 5.7226 8.3569 118.5176 56.1355 31.4616 173.7814 38 T 4.4340 9.4275 116.7052 62.4225 72.9260 173.1065 39 T 4.5971 8.3114 122.0334 63.1160 68.8447 174.9734 40 V 4.1741 8.8101 120.0636 61.6289 33.6546 176.5412 41 V 4.1661 7.4531 119.5242 60.4253 33.8218 173.8159 42 E 3.8930 8.8122 128.3145 58.0976 29.6505 177.3487 43 S 3.6585 8.8404 119.5606 59.0557 60.7396 171.5024 44 A 4.7092 7.5250 118.7449 52.2712 21.6935 176.8426 45 M 4.6493 8.3494 114.8991 54.7296 36.2509 174.1156 46 S 5.2945 9.0152 121.1879 56.8727 67.6959 173.3015 47 V 5.0282 9.3429 114.7274 59.7556 35.7064 175.0802 48 V 5.0089 8.6649 116.3809 59.5260 35.0218 174.5756 49 E 4.7566 9.6394 126.9575 56.0274 30.9049 175.4259 50 V 4.9096 8.9015 126.7276 61.0675 35.2187 173.5534 51 E 4.7029 9.2623 129.3199 55.2844 30.9425 175.0487 52 L 4.9581 8.6934 126.6700 53.0542 45.2075 175.3689 53 Q 4.8753 8.3675 119.1104 54.9027 29.8729 176.4346 54 V 3.9927 8.8929 123.5472 65.3949 32.2655 176.0466 55 E 4.6484 8.0956 120.0757 54.1274 31.6033 174.3549 56 N 4.7213 8.9502 124.4966 52.8162 39.3902 174.6047 57 T 4.6123 9.6976 112.6548 58.9952 71.6290 173.3029 58 G 4.1937 7.6690 110.1698 44.8409 0.0000 172.3763 59 I 4.1858 7.5603 111.0890 60.6607 38.3305 174.8968 60 H 4.9709 7.8617 119.3466 54.1074 31.4733 173.0391 61 E 5.3688 8.3837 117.6919 55.0829 33.2678 174.3521 62 F 5.1497 9.3259 122.2514 57.0434 43.1547 173.1608 63 K 5.1812 7.6429 124.4454 54.4493 34.8898 174.9084 64 T 4.1701 7.7297 115.4666 61.7568 70.8295 171.1565 65 D 5.3973 8.3390 123.7091 53.0709 43.2703 176.2362 66 V 4.5238 8.2568 114.1553 59.0239 36.4573 174.9274 67 L 4.5072 8.6987 121.8663 55.3827 41.8971 177.0150 68 A 4.5798 8.7571 122.5881 50.9273 20.6843 177.0361 69 G 3.8509 8.2475 105.2442 43.7931 0.0000 171.0626 70 P 4.4020 0.0000 0.0000 62.1545 31.8642 175.7275 71 L 4.5477 7.9670 121.5107 52.7905 43.8652 176.7505 72 W 4.5896 9.6432 124.1191 58.0885 29.8082 176.7735 73 S 4.8415 7.4007 111.9473 56.2072 66.2093 174.9018 74 N 4.4859 8.9526 120.7316 56.8511 38.8642 176.3211 75 D 4.3161 8.1574 119.0470 57.4808 41.3236 177.8626 76 E 3.8388 8.0837 119.2889 59.0308 29.6225 178.5723 77 A 3.3656 7.5488 120.9293 55.1308 18.0098 179.7323 78 Q 4.3065 8.1986 115.5344 58.9314 28.7884 178.8249 79 K 4.1049 7.6987 118.7519 58.9046 32.3683 178.6895 80 L 4.2976 7.9353 118.7133 56.0394 41.9714 179.0255 81 G 2.4831 7.7133 106.5988 47.1181 0.0000 173.7826 82 P 4.3770 0.0000 0.0000 65.3215 31.1645 178.8143 83 Q 4.0012 7.8150 115.2662 58.8314 29.1701 178.2089 84 I 3.8522 7.9401 120.8857 64.3189 37.0803 178.2904 85 A 4.1113 8.4771 121.8191 55.2503 18.1667 179.4960 86 A 4.0582 8.3016 119.4731 55.1963 18.2143 179.5480 87 S 4.2715 7.8821 110.6743 60.3396 63.1433 174.4940 88 Y 4.5798 8.0495 119.4522 57.2322 38.3360 175.4725 89 G 3.9772 8.6836 107.5427 46.3203 0.0000 173.0472 90 A 4.7655 7.8904 119.1457 50.6715 23.0249 175.8617 91 E 4.7105 8.8627 117.5465 55.0120 32.1740 175.6085 92 F 5.1771 8.7285 124.8448 57.8113 40.1817 175.5985 93 T 3.9579 8.1617 115.3732 61.9727 69.1727 175.8851 94 G 3.3055 5.7371 110.0343 44.4931 0.0000 172.9973 95 Q 4.8874 7.2949 119.0560 54.2207 30.9482 174.8044 96 W 5.5572 8.3636 118.9334 56.1547 31.3888 173.3072 97 R 3.8780 8.9568 114.8536 55.4339 32.4620 173.8351 98 T 4.7267 8.1478 117.9172 63.0128 68.9176 174.6743 99 I 4.2058 8.4986 119.6203 61.4751 39.6275 176.1787 100 V 4.2036 7.4625 121.8895 60.6427 33.1625 173.8519 101 E 3.9444 8.8737 127.2941 58.1607 29.6275 178.5533 102 G 4.0910 8.7736 110.4757 45.9615 0.0000 173.3249 103 V 4.2834 7.3700 116.2145 64.1672 33.7516 175.4206 104 M 4.8017 8.2592 118.6519 54.4678 36.1492 173.3906 105 S 5.2126 8.7923 119.8194 56.9571 68.0459 173.0098 106 V 5.1149 9.2934 113.4156 59.7393 36.0469 175.0213 107 I 5.0942 8.4636 115.4094 59.2287 41.2857 173.9675 108 Q 5.1054 9.6672 125.8136 54.5407 30.5692 174.6682 109 I 4.9795 8.7031 119.7046 58.9041 41.6189 174.1562 110 K 4.8885 8.9080 123.6167 54.9785 35.0752 174.4901 111 Y 5.1606 9.3767 125.7287 57.3094 40.1190 174.6742 112 T 5.2925 8.7440 119.0599 61.7536 71.6956 174.0155 113 F 4.6065 8.9069 120.8375 57.3423 38.1490 174.1026 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 A 8.11 4.56 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 2 S 8.55 5.35 0.00 4.04 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 3 Y 9.44 4.99 0.00 3.03 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 4 K 8.67 5.10 0.00 1.63 1.71 0.00 1.71 0.00 0.00 1.85 0.00 0.00 2.67 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.28 1.41 7.81 5 V 8.41 4.64 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 0.89 0.00 0.00 0.89 0.00 0.00 6 N 8.70 5.33 0.00 2.62 2.77 0.00 0.00 6.75 7.45 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 7 I 8.51 4.55 1.83 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.82 0.76 0.00 0.00 8 P 0.00 4.80 0.00 1.92 1.98 0.00 3.59 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 2.01 2.09 0.00 9 A 8.55 4.43 1.11 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 10 G 8.22 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 11 P 0.00 4.37 0.00 1.42 1.71 0.00 3.73 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 12 L 7.91 4.51 0.00 1.26 0.87 0.48 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 13 W 9.11 4.68 0.00 3.26 3.31 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 14 S 7.26 4.79 0.00 4.09 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 15 N 8.86 4.50 0.00 3.10 3.01 0.00 0.00 6.77 8.15 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 16 A 8.05 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 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.28 3.76 0.00 2.02 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 2.19 2.29 0.00 18 A 7.66 3.34 -0.07 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 0.00 0.00 19 Q 8.49 4.41 0.00 2.02 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.74 2.64 0.00 20 Q 7.28 4.17 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.97 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 21 V 8.18 3.73 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 0.84 0.00 0.00 0.83 0.00 0.00 22 G 7.78 2.44 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 0.00 0.00 0.00 23 P 0.00 4.32 0.00 2.13 2.15 0.00 3.43 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 24 K 7.73 3.91 0.00 1.83 1.77 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.57 1.40 7.81 25 I 7.72 3.62 1.88 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.26 0.90 0.00 0.00 26 A 8.25 3.99 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 27 A 8.26 3.91 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 28 A 7.87 3.91 1.25 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 29 H 7.52 4.72 0.00 3.12 3.33 0.00 5.81 0.00 0.00 0.00 0.00 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 7.98 3.45 0.00 2.26 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.63 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 31 G 8.24 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 0.00 0.00 0.00 0.00 32 N 8.72 5.20 0.00 2.61 2.71 0.00 0.00 7.09 8.33 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 33 F 9.09 5.00 0.00 3.00 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 34 T 8.40 3.94 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 1.22 0.00 0.00 35 G 5.64 3.48 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 0.00 36 Q 7.37 4.63 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.56 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 37 W 8.36 5.72 0.00 3.64 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 38 T 9.43 4.43 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 1.11 0.00 0.00 39 T 8.31 4.60 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 1.14 0.00 0.00 40 V 8.81 4.17 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 0.62 0.00 0.00 0.98 0.00 0.00 41 V 7.45 4.17 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 1.07 0.00 0.00 0.92 0.00 0.00 42 E 8.81 3.89 0.00 2.02 1.84 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 2.42 2.37 0.00 43 S 8.84 3.66 0.00 4.16 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 0.00 44 A 7.52 4.71 1.25 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 45 M 8.35 4.65 0.00 2.08 1.85 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 2.49 2.55 0.00 46 S 9.02 5.29 0.00 3.89 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 0.00 47 V 9.34 5.03 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 0.72 0.00 0.00 1.05 0.00 0.00 48 V 8.66 5.01 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 0.58 0.00 0.00 0.92 0.00 0.00 49 E 9.64 4.76 0.00 2.17 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 2.30 2.27 0.00 50 V 8.90 4.91 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 0.90 0.00 0.00 1.02 0.00 0.00 51 E 9.26 4.70 0.00 2.01 1.86 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 2.20 2.23 0.00 52 L 8.69 4.96 0.00 0.50 1.30 0.77 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 8.37 4.88 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 7.06 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 54 V 8.89 3.99 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 0.72 0.00 0.00 1.05 0.00 0.00 55 E 8.10 4.65 0.00 1.97 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 2.22 2.34 0.00 56 N 8.95 4.72 0.00 2.89 3.04 0.00 0.00 6.98 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 57 T 9.70 4.61 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 1.30 0.00 0.00 58 G 7.67 4.19 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 0.00 0.00 0.00 59 I 7.56 4.19 1.73 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.25 0.83 0.00 0.00 60 H 7.86 4.97 0.00 1.57 2.23 0.00 5.75 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.38 5.37 0.00 2.05 1.87 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 2.17 2.36 0.00 62 F 9.33 5.15 0.00 3.43 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 63 K 7.64 5.18 0.00 1.43 1.49 0.00 1.81 0.00 0.00 2.20 0.00 0.00 2.62 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.25 1.36 7.81 64 T 7.73 4.17 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 1.34 0.00 0.00 65 D 8.34 5.40 0.00 2.61 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 66 V 8.26 4.52 1.33 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 0.53 0.00 0.00 -0.11 0.00 0.00 67 L 8.70 4.51 0.00 1.68 1.68 0.98 0.74 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 68 A 8.76 4.58 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 69 G 8.25 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 70 P 0.00 4.40 0.00 1.59 1.91 0.00 3.70 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 2.02 2.04 0.00 71 L 7.97 4.55 0.00 1.31 0.89 0.54 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 72 W 9.64 4.59 0.00 3.27 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 73 S 7.40 4.84 0.00 4.11 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 74 N 8.95 4.49 0.00 3.15 3.03 0.00 0.00 6.50 8.49 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 75 D 8.16 4.32 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 76 E 8.08 3.84 0.00 2.09 1.95 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 2.16 2.27 0.00 77 A 7.55 3.37 -0.10 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 78 Q 8.20 4.31 0.00 2.01 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.94 0.00 0.00 0.00 0.00 0.00 2.73 2.64 0.00 79 K 7.70 4.10 0.00 1.83 1.81 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.45 1.60 7.81 80 L 7.94 4.30 0.00 1.52 1.53 0.83 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 81 G 7.71 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 0.00 0.00 0.00 82 P 0.00 4.38 0.00 2.17 2.17 0.00 3.55 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.40 0.00 83 Q 7.81 4.00 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.05 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 84 I 7.94 3.85 1.87 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.05 1.01 0.00 0.00 85 A 8.48 4.11 1.45 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 86 A 8.30 4.06 1.43 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 0.00 0.00 0.00 87 S 7.88 4.27 0.00 3.96 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 88 Y 8.05 4.58 0.00 3.04 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 89 G 8.68 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 0.00 0.00 0.00 90 A 7.89 4.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.86 4.71 0.00 1.95 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 2.29 2.28 0.00 92 F 8.73 5.18 0.00 3.00 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 93 T 8.16 3.96 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 1.15 0.00 0.00 94 G 5.74 3.31 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 0.00 95 Q 7.29 4.89 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.50 0.00 0.00 0.00 0.00 0.00 2.20 2.36 0.00 96 W 8.36 5.56 0.00 3.68 3.21 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 97 R 8.96 3.88 0.00 1.61 1.72 0.00 2.66 0.00 0.00 3.06 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.51 0.00 98 T 8.15 4.73 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 1.23 0.00 0.00 99 I 8.50 4.21 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.59 0.90 0.00 0.00 100 V 7.46 4.20 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 1.10 0.00 0.00 0.93 0.00 0.00 101 E 8.87 3.94 0.00 2.08 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 2.40 2.33 0.00 102 G 8.77 4.09 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 0.00 0.00 0.00 103 V 7.37 4.28 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 0.78 0.00 0.00 0.99 0.00 0.00 104 M 8.26 4.80 0.00 2.11 1.81 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 105 S 8.79 5.21 0.00 3.95 4.12 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 0.00 106 V 9.29 5.11 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 1.03 0.00 0.00 107 I 8.46 5.09 2.11 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.84 0.84 0.00 0.00 108 Q 9.67 5.11 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.67 0.00 0.00 0.00 0.00 0.00 2.21 2.05 0.00 109 I 8.70 4.98 1.60 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.12 0.77 0.00 0.00 110 K 8.91 4.89 0.00 1.71 1.63 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.41 7.81 111 Y 9.38 5.16 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 0.00 112 T 8.74 5.29 4.49 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 0.00 0.00 1.22 0.00 0.00 113 F 8.91 4.61 0.00 3.06 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