NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 R 4.2087 8.2544 119.0722 56.0125 31.0193 174.3073 6 S 4.4329 8.4837 117.9687 54.8672 63.1081 171.7384 7 I 3.8990 8.5930 131.7178 60.7677 38.3585 175.3907 8 A 4.2119 8.4059 128.8104 51.4241 19.3161 176.9258 9 I 4.0999 8.1142 123.8776 60.3145 36.7948 175.4290 10 D 4.5180 8.7103 126.5834 56.7236 41.4952 176.5383 11 S 4.6891 7.5116 110.0493 57.2037 65.5262 172.7960 12 Y 4.7454 8.4177 122.4533 55.9595 40.9378 174.1010 13 Q 4.2250 8.3928 128.4241 54.2803 30.1189 174.3928 14 E 3.8208 8.1938 126.5483 57.9007 30.3139 176.3681 15 D 4.5815 7.5891 117.1070 52.7160 41.7085 174.1875 16 P 4.3134 0.0000 0.0000 63.2419 31.1795 175.4069 17 S 4.5024 7.8250 116.2647 57.9416 67.3520 174.3229 18 V 4.3366 7.3350 115.7410 58.6219 33.9798 175.6114 19 V 4.2338 7.8582 120.0898 61.0613 34.1364 174.9705 20 V 4.0422 8.2828 126.6171 61.3404 31.7384 174.6759 21 S 4.3148 8.2501 122.1272 56.6348 63.5203 172.7996 22 N 4.8497 8.1005 124.6101 51.9707 41.6499 173.1929 23 F 4.5906 9.0706 125.2736 57.3273 38.0302 178.3756 24 F 5.1019 8.3136 121.6362 55.1062 41.4282 174.4938 25 K 4.0442 8.7295 121.5211 58.1955 32.1014 177.5130 26 G 3.9692 8.9759 111.8894 45.3710 0.0000 173.5877 27 V 3.1592 6.8358 118.4079 61.3435 31.5023 176.0729 28 R 4.3269 8.2359 120.8219 54.5337 31.9997 174.8640 29 V 4.2104 8.0366 123.1130 59.8928 33.1866 173.7309 30 P 4.3614 0.0000 0.0000 62.3593 31.7178 177.5083 31 K 4.0261 8.7357 121.8524 59.9409 32.4646 177.8410 32 D 4.4816 8.0028 117.8926 56.3588 41.1641 176.8099 33 T 3.7786 7.7220 116.5233 63.9125 68.7581 173.0801 34 E 4.6896 8.4666 125.5772 54.5749 31.4080 175.3405 35 F 5.0052 8.7289 121.1345 55.7096 42.2854 174.6310 36 Q 4.5470 8.5653 120.1817 53.9922 32.2078 174.5985 37 L 4.7376 8.0845 122.6066 53.2719 44.3631 175.1165 38 Y 4.7456 8.4996 122.0801 55.9448 41.1070 174.6408 39 K 4.6021 8.4928 124.7801 53.9163 34.6007 175.4610 40 K 4.0851 8.5131 127.0840 56.2376 32.7291 176.3885 41 R 4.2226 8.5121 125.7008 55.8518 30.5153 176.1017 42 K 4.6668 8.3611 121.5888 54.6347 35.9184 175.7186 43 Q 4.5925 8.4343 121.1590 54.5521 30.3933 175.4646 44 D 4.5331 8.4762 120.7405 54.0145 41.8313 175.7940 45 Q 4.7518 8.0388 120.2025 54.2313 31.2771 175.0737 46 F 5.0857 9.0054 119.6114 55.6769 43.6666 173.8703 47 V 4.9074 8.5685 119.5595 61.0807 34.2711 174.2333 48 L 4.8364 9.4331 129.9220 53.4985 44.5918 174.3386 49 H 5.3935 9.0182 125.4351 54.4363 32.6869 172.4708 50 G 4.3649 9.2415 111.5570 44.8346 0.0000 170.9788 51 E 5.2820 8.6309 118.2986 55.1331 33.8858 174.8740 52 N 5.3079 8.3591 119.5609 51.8694 41.6999 173.6526 53 E 4.1810 8.8501 118.0884 58.8350 30.2960 178.1716 54 R 4.4796 7.9184 114.5691 55.4707 32.2150 174.4120 55 L 4.9981 7.5187 117.0213 52.6719 46.2612 174.9379 56 E 4.8450 8.3796 118.3372 55.0085 34.0073 174.3956 57 Y 5.1441 8.9656 121.9112 56.3156 40.9826 174.5810 58 D 5.3134 9.1546 123.8518 52.7036 45.1951 174.9230 59 G 4.6865 9.5440 109.6039 45.0319 0.0000 171.2951 60 E 5.5194 8.6414 118.3064 54.2444 33.5069 175.1730 61 T 4.6509 8.4660 111.1711 61.5522 70.4252 173.4907 62 D 4.6443 8.5344 122.3147 53.1555 42.1309 176.2215 63 E 3.9488 9.1964 127.7427 59.7240 29.9235 178.3781 64 L 4.1227 7.9832 119.4337 58.3678 42.2743 178.7206 65 T 3.9382 8.7141 116.4400 66.9544 68.2243 176.6111 66 T 4.1444 7.9029 110.3267 64.8145 68.6259 176.1335 67 K 4.1702 7.7718 120.1063 58.8510 32.2350 178.7988 68 T 4.2674 7.7723 114.4920 64.3201 69.3550 174.6033 69 N 5.0580 8.1374 115.7778 51.1110 42.4510 173.5693 70 Q 4.7000 8.2512 117.2791 54.6398 31.5424 174.3900 71 Y 4.7900 8.1924 117.1971 56.1987 42.1473 173.8529 *73 V 4.1838 8.1724 118.3660 63.3529 32.8780 174.9710 74 G 4.4837 8.8712 114.2316 44.5683 0.0000 172.7587 75 L 4.7400 8.9657 124.6444 53.1750 42.0974 174.1815 76 Y 4.7607 8.3859 125.3082 56.8120 40.7621 173.0751 77 D 4.7703 8.0892 126.9149 52.4639 42.4123 176.8447 78 K 3.9654 8.7555 126.0739 59.9453 32.4155 178.6138 79 Q 4.1065 8.0850 115.8580 59.0985 28.7536 178.1653 80 S 4.1411 7.7593 110.1482 59.0011 63.3769 174.2983 81 G 3.8900 7.7317 108.8444 46.6657 0.0000 173.2830 82 K 4.7440 7.5446 117.1790 54.0650 35.6374 175.3559 83 I 5.1084 8.3765 122.5470 59.3096 41.2962 174.1784 84 N 4.9204 8.7769 124.9826 51.5943 40.8951 173.5069 85 L 4.9937 8.2816 123.9406 53.6817 43.6634 176.0458 86 Y 4.6158 8.6715 119.8090 56.0092 41.2466 175.2948 87 R 4.3697 8.8860 125.4693 56.4562 30.8938 175.5044 88 A 4.8284 8.7884 127.4267 49.4588 22.2814 174.1669 89 P 4.3333 0.0000 0.0000 62.4912 32.2943 175.8525 90 V 4.0525 8.0788 120.2705 61.2882 32.7922 174.6327 91 V 4.5182 8.2404 127.9444 61.4427 33.4756 174.7612 92 T 4.4542 8.4231 124.3121 62.6393 69.3295 174.1270 93 S 5.0352 8.6354 122.2519 56.7117 66.6050 173.2867 94 K 4.7341 9.1032 120.8786 54.7379 35.6881 175.1579 95 I 4.8769 8.2854 123.5810 59.4452 39.5319 175.4710 96 V 4.4760 8.2501 125.9204 59.6958 34.6031 174.9758 97 S 4.4275 8.5098 119.5187 58.0393 63.2441 173.8705 98 K 4.1176 8.0612 121.2192 56.3765 34.2160 176.5381 99 F 4.1830 7.5435 122.9108 57.7756 38.5310 174.4513 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 5 R 8.25 4.21 0.00 1.85 1.80 0.00 3.18 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 6 S 8.48 4.43 0.00 3.86 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 7 I 8.59 3.90 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 1.34 0.91 0.91 0.00 0.00 8 A 8.41 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 9 I 8.11 4.10 1.86 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 1.27 0.57 0.96 0.00 0.00 10 D 8.71 4.52 0.00 2.63 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 11 S 7.51 4.69 0.00 3.99 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 12 Y 8.42 4.75 0.00 2.79 2.87 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 13 Q 8.39 4.22 0.00 1.91 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.17 2.38 0.00 14 E 8.19 3.82 0.00 1.68 1.82 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 2.21 2.17 0.00 15 D 7.59 4.58 0.00 2.64 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 16 P 0.00 4.31 0.00 2.00 1.96 0.00 3.61 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 17 S 7.83 4.50 0.00 3.88 3.75 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 18 V 7.33 4.34 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 0.69 0.00 0.00 0.91 0.00 0.00 19 V 7.86 4.23 1.97 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 0.71 0.00 0.00 0.88 0.00 0.00 20 V 8.28 4.04 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 0.80 0.00 0.00 0.90 0.00 0.00 21 S 8.25 4.31 0.00 3.61 3.56 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 0.00 0.00 0.00 22 N 8.10 4.85 0.00 2.57 2.56 0.00 0.00 6.96 7.02 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 23 F 9.07 4.59 0.00 2.68 2.23 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 24 F 8.31 5.10 0.00 3.25 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 25 K 8.73 4.04 0.00 1.86 1.86 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.50 1.51 7.81 26 G 8.98 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 27 V 6.84 3.16 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 0.00 0.00 0.54 0.00 0.00 0.08 0.00 0.00 28 R 8.24 4.33 0.00 1.76 1.85 0.00 3.18 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 29 V 8.04 4.21 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 1.01 0.00 0.00 0.62 0.00 0.00 30 P 0.00 4.36 0.00 2.21 1.96 0.00 3.65 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 2.10 2.07 0.00 31 K 8.74 4.03 0.00 1.88 1.98 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.49 7.81 32 D 8.00 4.48 0.00 2.69 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 33 T 7.72 3.78 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 0.74 0.00 0.00 34 E 8.47 4.69 0.00 1.88 1.85 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 2.24 2.46 0.00 35 F 8.73 5.01 0.00 2.97 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 36 Q 8.57 4.55 0.00 2.03 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.70 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 37 L 8.08 4.74 0.00 1.50 1.42 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 8.50 4.75 0.00 2.93 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 39 K 8.49 4.60 0.00 1.69 1.68 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.39 7.81 40 K 8.51 4.09 0.00 1.77 1.71 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.47 7.81 41 R 8.51 4.22 0.00 1.86 1.88 0.00 3.22 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 42 K 8.36 4.67 0.00 1.68 1.65 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.43 7.81 43 Q 8.43 4.59 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.02 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 44 D 8.48 4.53 0.00 2.65 1.96 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 45 Q 8.04 4.75 0.00 1.91 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 46 F 9.01 5.09 0.00 2.86 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 47 V 8.57 4.91 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 0.83 0.00 0.00 0.97 0.00 0.00 48 L 9.43 4.84 0.00 1.75 1.49 0.89 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 49 H 9.02 5.39 0.00 3.15 3.17 0.00 5.92 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 9.24 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 0.00 0.00 0.00 0.00 51 E 8.63 5.28 0.00 1.84 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 2.39 2.37 0.00 52 N 8.36 5.31 0.00 2.97 2.77 0.00 0.00 6.89 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 53 E 8.85 4.18 0.00 1.93 1.97 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 2.28 2.33 0.00 54 R 7.92 4.48 0.00 1.83 1.81 0.00 3.14 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 55 L 7.52 5.00 0.00 1.62 0.97 0.93 0.63 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 56 E 8.38 4.85 0.00 1.86 1.73 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 2.15 2.18 0.00 57 Y 8.97 5.14 0.00 2.76 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 58 D 9.15 5.31 0.00 2.58 2.55 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 59 G 9.54 4.69 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 0.00 0.00 0.00 60 E 8.64 5.52 0.00 2.04 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 2.20 2.26 0.00 61 T 8.47 4.65 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 1.43 0.00 0.00 62 D 8.53 4.64 0.00 2.73 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 63 E 9.20 3.95 0.00 2.01 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 0.00 2.32 2.41 0.00 64 L 7.98 4.12 0.00 1.81 1.82 0.93 0.84 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 65 T 8.71 3.94 4.47 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 1.42 0.00 0.00 66 T 7.90 4.14 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 1.41 0.00 0.00 67 K 7.77 4.17 0.00 1.99 1.92 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.49 7.81 68 T 7.77 4.27 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 1.20 0.00 0.00 69 N 8.14 5.06 0.00 2.38 2.30 0.00 0.00 6.87 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 70 Q 8.25 4.70 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.73 0.00 0.00 0.00 0.00 0.00 2.16 2.29 0.00 71 Y 8.19 4.79 0.00 3.07 2.91 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 *73 V 8.17 4.18 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 0.96 0.00 0.00 0.94 0.00 0.00 74 G 8.87 4.48 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 75 L 8.97 4.74 0.00 1.78 1.71 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 8.39 4.76 0.00 3.10 2.87 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 77 D 8.09 4.77 0.00 2.55 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 0.00 0.00 0.00 78 K 8.76 3.97 0.00 1.77 1.90 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.60 1.56 7.81 79 Q 8.09 4.11 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.12 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 80 S 7.76 4.14 0.00 3.96 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 81 G 7.73 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 82 K 7.54 4.74 0.00 1.60 1.64 0.00 1.57 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.51 7.81 83 I 8.38 5.11 2.10 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.19 0.97 0.00 0.00 84 N 8.78 4.92 0.00 2.90 2.68 0.00 0.00 6.89 6.69 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 85 L 8.28 4.99 0.00 1.43 1.55 0.91 0.87 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 86 Y 8.67 4.62 0.00 2.90 2.84 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 87 R 8.89 4.37 0.00 1.87 1.90 0.00 3.24 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 88 A 8.79 4.83 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 89 P 0.00 4.33 0.00 2.00 1.86 0.00 3.48 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.49 0.00 90 V 8.08 4.05 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 0.50 0.00 0.00 0.03 0.00 0.00 91 V 8.24 4.52 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 0.84 0.00 0.00 0.94 0.00 0.00 92 T 8.42 4.45 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 1.22 0.00 0.00 93 S 8.64 5.04 0.00 3.79 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 94 K 9.10 4.73 0.00 1.62 1.64 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.38 7.81 95 I 8.29 4.88 1.75 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 1.39 0.60 0.44 0.00 0.00 96 V 8.25 4.48 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 0.69 0.00 0.00 0.87 0.00 0.00 97 S 8.51 4.43 0.00 2.72 3.45 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 98 K 8.06 4.12 0.00 1.79 1.88 0.00 1.89 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.27 1.31 7.81 99 F 7.54 4.18 0.00 3.24 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 * Residues marked with a * may have inaccurate shift predictions.