NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4P F 4.8144 8.1785 119.3723 56.6417 41.7890 174.3145 5P A 4.2494 8.3076 121.2839 51.7544 18.8447 175.3926 6P R 4.6378 9.3621 125.0125 55.0597 31.7482 174.6380 7P N 4.6932 8.9772 126.2240 52.4566 38.8223 172.5597 8P E 3.2302 8.9613 117.9876 60.2748 29.5187 179.3343 9P K 3.9703 7.8589 118.0960 59.2746 32.2044 179.0513 10P E 3.9289 8.0046 118.2713 59.0421 29.4565 178.8651 11P A 3.8793 7.9897 121.1062 55.1964 17.9781 179.6512 12P K 2.9444 7.8543 117.6653 59.0656 32.1304 178.5603 13P D 4.2202 7.6272 118.1062 57.4053 41.1368 178.3457 14P S 4.1338 8.5020 115.8348 61.3328 62.6841 176.4662 15P A 4.0486 8.0951 123.5975 55.3716 18.0651 179.7695 16P I 3.6331 7.3517 117.4124 64.7320 37.1442 178.8481 17P T 3.8351 7.8170 116.3351 66.5250 68.0737 176.4558 18P F 4.0737 8.3522 121.6485 61.3268 39.4925 176.8603 19P I 3.6440 7.8084 118.2080 64.4732 37.0321 178.0499 20P Q 4.1432 8.1941 120.2249 59.7004 28.7872 179.8487 21P K 3.9953 8.1304 122.7601 58.0219 31.7574 178.4873 *37P L 4.5824 7.5026 118.7006 56.0359 42.9781 176.6045 38P D 5.0001 9.3855 125.7691 51.6224 41.8274 172.3593 39P K 4.1976 8.9793 126.2972 55.8880 32.9413 176.0651 40P V 4.1123 8.6027 127.7907 61.6795 32.6368 174.9980 41P N 4.4041 8.8193 126.7724 53.2071 39.0731 174.0597 42P L 4.5812 8.5419 126.7838 52.9823 42.8952 175.6380 43P G 4.1292 8.5248 112.8761 43.9718 0.0000 169.5377 44P G 4.1015 8.5974 111.6858 45.0006 0.0000 177.2638 45P E 4.2237 9.0442 122.0545 57.1666 29.4608 176.3134 46P L 4.7664 7.5702 116.7781 55.2261 42.5236 176.6954 47P S 4.5784 7.1128 113.3517 57.4441 63.9682 172.8565 48P G 3.7269 8.7466 107.8395 45.1323 0.0000 174.6702 49P S 4.2040 8.2990 115.7169 57.7259 63.8801 171.3825 50P N 4.5993 7.9461 121.3939 56.7481 39.4920 174.7911 51P M 5.1040 7.2440 116.0273 54.4057 35.5114 173.4594 52P Y 4.7382 9.4947 121.8435 56.0899 42.5886 174.5878 53P V 4.6973 7.9488 121.1556 61.2962 35.1177 173.4923 54P Y 5.2187 9.1322 125.5201 56.3624 41.0233 174.3824 55P N 5.4385 9.2542 122.2885 52.2380 40.8989 174.5711 56P I 4.4501 8.8557 125.0842 60.1751 38.2705 177.0065 57P S 4.2027 9.0188 120.6971 61.7091 62.6682 175.8662 58P T 4.0746 7.9114 109.2213 62.3453 69.1957 173.0303 59P G 3.6072 8.3581 108.6162 44.9096 0.0000 172.8732 60P G 4.0193 10.0798 111.1365 45.7302 0.0000 171.6906 61P F 5.4785 8.5786 112.3388 56.3393 41.6702 173.3579 62P V 5.0706 9.1374 118.7540 61.5774 35.3582 173.4601 63P I 4.8618 8.9252 128.5263 59.5735 39.6047 174.6099 64P V 4.8978 9.0464 127.5892 60.7547 34.2958 175.0954 65P S 4.4993 8.9618 122.5216 58.4314 64.3907 174.6343 66P G 4.8213 9.1610 108.3540 45.6670 0.0000 172.3402 67P D 5.3009 7.7158 120.2399 52.1220 44.5867 175.9120 68P K 4.3358 9.7184 124.3196 58.0084 32.5654 178.3368 69P R 4.3498 8.8626 119.1581 56.2131 30.5477 176.1158 70P S 4.7150 7.7301 114.7645 55.1038 66.0583 171.7136 71P P 2.9862 0.0000 0.0000 62.7344 31.3129 175.9148 72P E 4.0118 8.4790 122.3207 58.5963 30.2330 175.7155 73P I 4.4745 7.3886 118.8297 60.0110 37.8719 175.0560 74P L 4.2039 8.4280 126.8627 55.9335 43.1722 176.6664 75P G 4.3555 7.2497 103.5755 45.8529 0.0000 171.5968 76P Y 4.9048 8.0036 117.2189 56.9366 40.3463 172.7839 77P S 4.4788 7.6309 112.6283 57.5644 65.9684 175.1394 78P T 4.3231 8.7557 115.5135 62.1333 69.2967 173.9265 79P S 4.6635 7.7111 116.7497 57.4838 67.1696 174.5073 80P G 4.0416 8.9273 107.7435 45.8734 0.0000 172.2827 81P S 5.2099 8.5429 114.8585 57.1938 66.2253 172.7576 82P F 4.3342 9.3110 122.9251 56.1438 41.0744 173.8431 83P D 4.5122 7.0392 124.9225 53.2560 44.0417 174.9360 84P V 4.1000 7.9272 115.3946 60.4630 33.4749 175.0742 85P N 4.3905 8.0687 118.6316 54.6564 38.3248 175.0184 86P G 3.9306 8.9292 110.7733 45.9436 0.0000 173.8448 87P K 4.4630 7.7427 120.0521 53.0001 32.4596 176.2335 88P E 3.9630 8.3265 123.6032 59.0514 29.3831 177.5972 89P N 4.4589 8.0728 116.6784 55.6990 37.3909 177.3090 90P I 3.7720 7.6123 121.5162 64.1059 37.3793 177.8623 91P A 4.0171 7.9324 121.6564 55.2920 18.0308 179.5840 92P S 4.1351 8.6313 111.9447 61.5157 62.2766 176.2430 93P F 4.0787 7.9996 122.9199 61.3590 39.1181 177.1847 94P M 3.8755 8.1547 118.4816 58.3158 31.6536 178.5627 95P E 3.9926 8.3826 118.9031 59.3633 29.5069 179.6116 96P S 4.2635 7.3904 116.7157 61.0433 62.8063 176.0958 97P Y 4.6127 7.1625 120.6558 60.6184 37.6702 178.9749 98P V 3.5848 7.8140 118.9121 66.2083 31.2710 177.9400 99P E 3.9987 8.4276 118.3919 59.4123 29.0899 179.3609 100P Q 4.1006 8.2116 118.2976 58.7159 28.5999 178.5682 101P I 3.9132 7.8941 121.9416 63.8100 37.3978 178.3486 102P K 4.1066 8.1394 119.4138 59.2560 31.7185 178.9341 103P E 3.9080 8.0783 119.7361 59.4673 29.4795 178.5982 104P N 4.4283 8.2215 115.8085 55.4708 38.3563 177.3029 105P K 3.9655 7.8392 119.3657 58.6549 32.1629 178.6402 106P K 4.1498 7.5906 117.6959 56.9807 32.0929 176.5093 107P L 4.4675 7.2473 121.5369 54.0578 43.4407 175.4030 108P D 4.7500 8.2542 116.2913 53.6810 42.6396 175.5935 109P S 4.8633 7.5799 114.1346 56.5255 66.1573 174.1525 110P T 4.3452 8.5930 120.3686 63.7549 69.1791 173.3433 111P Y 4.2052 8.6911 125.6399 58.1732 39.4075 174.9887 112P A 4.6490 7.5214 127.0652 50.2176 22.8846 176.0464 113P G 3.7900 8.5684 104.6352 45.9612 0.0000 173.5715 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 4P F 8.18 4.81 0.00 3.07 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 5P A 8.31 4.25 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 6P R 9.36 4.64 0.00 1.83 1.95 0.00 3.52 0.00 0.00 3.30 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 7P N 8.98 4.69 0.00 2.48 2.69 0.00 0.00 6.30 7.71 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 8P E 8.96 3.23 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 9P K 7.86 3.97 0.00 1.80 1.79 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.51 7.81 10P E 8.00 3.93 0.00 2.10 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 2.37 2.34 0.00 11P A 7.99 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12P K 7.85 2.94 0.00 1.49 1.62 0.00 1.51 0.00 0.00 1.43 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.11 0.70 7.81 13P D 7.63 4.22 0.00 2.94 2.77 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 0.00 0.00 0.00 0.00 14P S 8.50 4.13 0.00 3.98 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 15P A 8.10 4.05 1.31 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 16P I 7.35 3.63 1.95 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.79 0.90 0.00 0.00 17P T 7.82 3.84 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 1.22 0.00 0.00 18P F 8.35 4.07 0.00 2.90 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 19P I 7.81 3.64 2.01 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.01 0.88 0.00 0.00 20P Q 8.19 4.14 0.00 1.95 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.97 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 21P K 8.13 4.00 0.00 1.80 1.73 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.35 7.81 *37P L 7.50 4.58 0.00 1.49 1.75 0.70 1.02 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 38P D 9.39 5.00 0.00 2.30 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 39P K 8.98 4.20 0.00 1.95 1.83 0.00 1.99 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.38 1.21 7.81 40P V 8.60 4.11 2.09 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 0.81 0.00 0.00 1.05 0.00 0.00 41P N 8.82 4.40 0.00 2.73 2.73 0.00 0.00 6.99 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 42P L 8.54 4.58 0.00 1.75 1.55 0.89 1.03 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 43P G 8.52 4.13 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 0.00 0.00 0.00 44P G 8.60 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 0.00 0.00 0.00 0.00 45P E 9.04 4.22 0.00 2.00 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 2.23 1.90 0.00 46P L 7.57 4.77 0.00 1.56 1.62 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 47P S 7.11 4.58 0.00 3.97 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 48P G 8.75 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 0.00 0.00 0.00 49P S 8.30 4.20 0.00 3.61 3.77 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 0.00 0.00 0.00 0.00 50P N 7.95 4.60 0.00 2.58 2.82 0.00 0.00 6.42 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 51P M 7.24 5.10 0.00 1.88 1.79 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 2.54 2.50 0.00 52P Y 9.49 4.74 0.00 2.86 2.43 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 53P V 7.95 4.70 2.00 0.00 0.00 0.00 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 0.70 0.00 0.00 54P Y 9.13 5.22 0.00 3.07 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 55P N 9.25 5.44 0.00 2.76 2.86 0.00 0.00 6.58 7.35 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 56P I 8.86 4.45 2.03 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 1.44 0.70 0.99 0.00 0.00 57P S 9.02 4.20 0.00 4.01 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 58P T 7.91 4.07 4.27 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 1.23 0.00 0.00 59P G 8.36 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 60P G 10.08 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 0.00 0.00 0.00 61P F 8.58 5.48 0.00 3.29 3.43 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 62P V 9.14 5.07 2.26 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 0.98 0.00 0.00 1.12 0.00 0.00 63P I 8.93 4.86 1.92 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.49 0.87 0.00 0.00 64P V 9.05 4.90 2.26 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 1.06 0.00 0.00 1.02 0.00 0.00 65P S 8.96 4.50 0.00 3.86 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 66P G 9.16 4.82 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 0.00 0.00 0.00 67P D 7.72 5.30 0.00 2.78 2.45 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 68P K 9.72 4.34 0.00 2.07 2.02 0.00 1.87 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.62 7.81 69P R 8.86 4.35 0.00 1.79 1.79 0.00 2.93 0.00 0.00 2.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.65 0.00 70P S 7.73 4.72 0.00 3.84 3.50 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 71P P 0.00 2.99 0.00 1.74 1.14 0.00 3.40 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 72P E 8.48 4.01 0.00 2.06 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 0.00 2.33 2.17 0.00 73P I 7.39 4.47 1.47 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 1.15 0.33 0.13 0.00 0.00 74P L 8.43 4.20 0.00 1.20 0.85 0.48 0.29 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 75P G 7.25 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 76P Y 8.00 4.90 0.00 3.04 2.77 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 0.00 0.00 0.00 0.00 77P S 7.63 4.48 0.00 3.44 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 78P T 8.76 4.32 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 79P S 7.71 4.66 0.00 4.03 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 80P G 8.93 4.04 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 0.00 81P S 8.54 5.21 0.00 4.14 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 82P F 9.31 4.33 0.00 1.51 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 83P D 7.04 4.51 0.00 2.49 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 0.00 0.00 0.00 84P V 7.93 4.10 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 0.71 0.00 0.00 0.91 0.00 0.00 85P N 8.07 4.39 0.00 2.77 2.75 0.00 0.00 6.94 7.67 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 86P G 8.93 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 87P K 7.74 4.46 0.00 1.67 1.61 0.00 1.52 0.00 0.00 1.47 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.27 1.47 7.81 88P E 8.33 3.96 0.00 2.05 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 2.36 2.42 0.00 89P N 8.07 4.46 0.00 2.92 3.03 0.00 0.00 6.31 7.68 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 90P I 7.61 3.77 1.85 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.54 0.78 0.00 0.00 91P A 7.93 4.02 1.31 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 92P S 8.63 4.14 0.00 4.04 3.96 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 93P F 8.00 4.08 0.00 3.19 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 94P M 8.15 3.88 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 3.13 0.00 95P E 8.38 3.99 0.00 2.12 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 2.31 2.63 0.00 96P S 7.39 4.26 0.00 3.55 3.63 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 97P Y 7.16 4.61 0.00 3.07 2.77 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 0.00 0.00 0.00 0.00 98P V 7.81 3.58 2.21 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 0.99 0.00 0.00 0.97 0.00 0.00 99P E 8.43 4.00 0.00 2.15 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 2.30 2.55 0.00 100P Q 8.21 4.10 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 101P I 7.89 3.91 1.96 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.56 0.87 0.00 0.00 102P K 8.14 4.11 0.00 1.87 1.83 0.00 1.86 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.41 7.81 103P E 8.08 3.91 0.00 2.24 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 0.00 2.29 2.49 0.00 104P N 8.22 4.43 0.00 2.92 2.91 0.00 0.00 7.01 7.25 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 105P K 7.84 3.97 0.00 1.90 1.86 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.59 1.64 7.81 106P K 7.59 4.15 0.00 1.65 1.85 0.00 1.68 0.00 0.00 1.62 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.57 7.81 107P L 7.25 4.47 0.00 1.77 1.41 0.89 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 108P D 8.25 4.75 0.00 2.67 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 109P S 7.58 4.86 0.00 3.77 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 110P T 8.59 4.35 4.34 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 1.42 0.00 0.00 111P Y 8.69 4.21 0.00 3.00 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 112P A 7.52 4.65 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 113P G 8.57 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 * Residues marked with a * may have inaccurate shift predictions.