NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.5593 8.2993 120.0953 56.0895 34.6095 175.4983 3 T 4.8306 7.9833 108.7169 58.9029 71.9672 172.2619 4 F 4.7925 10.2903 128.3740 56.7791 42.1344 175.3026 5 I 4.7885 7.9802 126.8482 59.7221 39.4798 174.3870 6 I 5.0420 9.3084 128.5935 59.4413 40.0471 174.8190 7 G 3.9285 9.0138 113.9109 44.3366 0.0000 172.4518 8 I 5.1053 8.7928 124.2808 59.7584 40.8347 174.3057 9 S 5.7019 9.5550 121.7801 54.8402 66.1996 172.6948 10 G 3.6796 8.2767 110.1859 43.3136 0.0000 172.4750 11 V 3.9480 6.8251 117.1055 61.0695 31.7837 175.7069 12 T 3.8710 8.3433 114.9960 63.8969 67.4128 173.1165 13 N 4.2923 8.7463 123.7959 54.5176 36.0102 175.3329 14 S 4.3174 7.6213 112.3497 58.7258 63.9816 174.7789 15 G 4.2094 8.3581 110.5479 45.6664 0.0000 175.6302 16 K 3.9355 8.4075 121.3325 59.6427 32.0052 179.2380 17 T 3.9212 7.8547 115.4050 66.9849 68.4185 176.7808 18 T 3.8813 7.8142 117.2197 66.4770 68.5290 176.3974 19 L 4.0380 8.0818 122.1946 57.7626 42.0456 178.8513 20 A 4.0137 8.1149 120.9276 55.1895 18.3713 179.8285 21 K 3.9350 8.0955 117.0436 59.4132 31.7365 179.4711 22 N 4.0155 7.9182 116.3623 56.2251 38.6177 177.4010 23 L 4.3105 7.8941 120.2452 57.9735 41.5457 179.1228 24 Q 4.0418 8.0294 118.2835 59.5676 28.9658 178.7391 25 K 4.0881 7.9158 117.9528 58.7940 32.0444 178.1047 26 H 4.8769 7.5621 113.0808 54.2592 29.4036 173.8584 27 L 4.9132 7.3684 121.5057 52.1568 43.4377 174.4540 28 P 4.4504 0.0000 0.0000 63.3326 32.6111 175.4638 29 N 4.2050 8.8196 119.5544 55.1743 37.0135 172.4166 30 C 5.4353 8.2056 116.2199 57.7258 34.0123 172.9769 31 S 5.0683 9.3664 121.4372 56.7729 66.7475 173.0645 32 V 4.8989 8.2661 120.2239 61.3326 34.6021 174.4665 33 I 4.6402 8.9681 128.2586 59.6738 40.3812 174.4026 34 S 5.3559 8.6048 122.7828 55.9482 64.4436 175.2573 35 Q 4.1350 9.3525 126.7742 59.1096 29.0429 178.1598 36 D 4.7390 8.1796 116.3757 57.0009 41.0508 176.7281 37 D 4.5323 8.1305 117.1655 55.5191 40.9089 176.4986 38 F 4.8317 7.9697 117.6357 57.0682 40.5615 175.1047 39 F 4.8733 8.4184 118.3237 57.2249 39.2399 175.6722 40 K 4.4045 9.0945 123.7135 55.6310 32.8788 175.3510 41 P 4.4957 0.0000 0.0000 62.4724 32.0230 176.8571 42 E 4.1218 8.9852 120.5146 59.5483 29.4814 178.6737 43 S 4.4342 8.0626 110.3627 59.3598 63.4234 174.0732 44 E 4.5008 8.2655 120.0895 56.5496 30.5080 176.2085 45 I 4.0516 7.0952 119.8962 60.9293 37.8076 175.2090 46 E 4.8986 8.5962 123.6234 54.7909 32.8839 174.7263 47 T 4.9474 8.2906 112.3971 59.9470 71.1792 174.2123 48 D 4.7450 8.7373 125.2033 52.1398 41.1438 176.7518 49 K 3.7692 8.7978 117.7765 60.0966 31.8324 177.6522 50 N 4.4649 8.2187 112.8575 52.7490 38.6818 174.9440 51 G 3.5801 7.9919 105.4468 46.9613 0.0000 175.0562 52 F 5.2982 7.8821 117.1746 55.0757 41.1648 175.7133 53 L 4.5234 8.8635 126.5339 55.3179 42.0305 178.7600 54 Q 4.4085 9.4825 125.7201 55.4058 26.8060 175.0585 55 Y 4.6457 8.2931 117.9455 58.9852 39.2874 176.2469 56 D 5.4067 8.2966 120.3819 54.2148 41.7106 176.0813 57 V 4.6136 7.5698 110.3760 59.3070 36.3516 177.0699 58 L 3.9484 8.4929 121.5899 57.9386 41.6465 179.6124 59 E 3.9995 8.2619 116.6040 58.7423 29.6446 177.2491 60 A 4.6052 8.0645 120.8434 51.7117 18.9898 176.3139 61 L 5.2318 7.5815 116.2920 53.5181 45.3039 176.3279 62 N 4.6465 9.4149 120.8379 52.6611 39.5261 176.1584 *64 E 4.2904 8.4955 118.0562 56.3380 32.0711 177.1416 65 K 4.2912 7.3865 120.8011 55.9529 30.3468 177.0947 *68 S 4.3110 7.8558 116.0425 58.1463 64.6904 175.4893 69 A 4.1583 7.7389 121.8507 55.0884 17.7531 179.7683 70 I 3.7580 7.5470 117.3767 64.6339 37.3909 178.2449 71 S 4.3216 8.0025 114.5524 61.7305 62.9930 176.0569 72 C 4.4885 8.2860 119.5050 62.4656 27.8774 176.1001 73 W 3.9861 7.9033 126.0041 58.3976 30.0567 176.8819 *75 E 4.1606 8.1239 120.4627 55.7499 30.6077 177.4296 76 S 4.3768 7.8889 110.6413 59.4868 63.7826 175.0927 77 A 3.6822 7.5107 125.0981 55.0257 18.1586 180.1860 78 R 4.1768 6.9889 109.8143 56.9768 29.2925 177.1688 79 H 4.7049 8.2796 115.7194 54.5055 29.8785 173.8097 *92 I 3.9527 7.7486 119.0041 60.0506 39.0096 173.3969 93 P 4.7081 0.0000 0.0000 63.2995 32.3480 175.3177 94 I 5.3055 9.6099 125.3255 59.4940 40.7525 174.3217 95 L 4.7704 8.9751 127.5305 53.1927 45.0904 174.8662 96 I 4.8260 8.9092 127.4813 59.8255 39.5022 174.6644 97 I 4.9619 9.3495 129.3029 59.7013 38.5357 174.2097 98 E 5.0038 8.5934 126.3924 54.7673 31.9298 175.4972 99 G 4.1900 8.4176 107.0261 45.8479 0.0000 174.2598 100 F 4.9526 9.5121 116.0652 57.3707 38.5930 176.2336 101 L 3.3167 7.2011 122.8068 53.1225 42.7745 173.7902 102 L 4.6022 8.6377 121.6553 56.0054 43.9775 178.7801 103 F 5.3637 8.0313 113.1985 58.1847 38.3900 175.3618 104 N 5.0676 8.5571 115.3609 52.4812 38.3489 173.5422 105 Y 4.5618 8.1692 121.5817 55.9357 38.8680 175.6905 106 K 4.2444 8.4951 127.4012 58.3327 32.2938 177.7398 107 P 4.1210 0.0000 0.0000 64.9863 31.5529 177.2439 108 L 3.8134 7.7307 117.3609 56.0598 42.3563 178.4184 109 D 3.6640 7.8205 119.0717 57.3278 40.7473 178.3267 110 T 4.3193 7.2546 106.3107 61.9310 69.4005 175.5412 111 I 4.1433 6.8611 123.0234 62.7893 39.9055 176.8525 112 W 4.5494 7.2780 118.7563 57.8016 29.1851 175.2303 113 N 4.6295 8.9823 119.8296 54.1277 39.8809 175.4205 114 R 4.5781 7.4751 117.3078 55.0562 33.9283 173.9186 115 S 4.8439 8.1920 120.4783 56.8461 66.9970 172.4433 116 Y 5.1663 9.0794 121.1407 56.1593 42.0372 174.6711 117 F 5.0648 9.0574 124.1789 56.5076 41.8470 173.4932 118 L 4.7930 8.4715 127.6140 54.7387 42.8810 176.2124 119 T 5.0488 9.0175 120.5848 61.8155 71.4005 173.1871 120 I 4.9778 8.3336 124.9742 58.4589 41.4173 173.1499 121 P 4.6558 0.0000 0.0000 62.4885 32.3194 176.7147 122 Y 3.0608 8.7395 120.4725 60.8814 38.6320 178.4380 123 E 3.6499 8.0386 118.8852 59.1051 29.5936 178.7991 124 E 3.8656 7.9265 119.0499 59.1984 29.8483 178.2246 125 C 4.0829 7.9933 118.8448 62.3485 31.4604 175.4882 126 K 2.4800 7.1570 120.1547 58.6038 31.8953 178.6710 127 R 3.8066 7.4388 118.5985 59.3726 30.1111 178.4682 128 R 3.8496 7.8937 117.8476 59.4234 30.1491 178.7805 129 R 4.1461 7.9130 118.4661 59.6690 29.7952 178.1103 130 S 4.4069 7.5833 111.0869 59.9264 63.3004 175.1793 131 T 4.3719 7.5870 112.5952 60.6661 69.2002 173.9943 132 R 4.2205 7.2752 122.0422 54.4656 32.0074 174.9213 133 V 3.9408 8.0520 125.3972 61.7961 31.3171 175.0281 134 Y 4.1806 8.3032 125.4143 56.9939 39.1389 175.0152 135 Q 4.2595 8.1051 121.0372 53.6622 30.9305 172.5983 136 P 4.3805 0.0000 0.0000 61.8688 32.0284 174.5359 137 P 4.3865 0.0000 0.0000 62.1021 31.8675 175.8316 138 D 4.0114 8.8171 121.9412 54.6488 40.8900 177.1603 139 S 4.4114 8.1416 118.7077 56.9105 63.9870 171.6411 140 P 4.3872 0.0000 0.0000 63.8381 31.4797 176.8916 141 G 4.1157 9.1276 110.6225 47.1831 0.0000 174.9250 142 Y 3.8493 8.1345 123.1228 60.0659 38.7295 177.1328 143 F 3.9623 8.3273 121.1283 61.6492 39.3612 176.7822 144 D 4.6420 8.3063 116.5864 57.0499 40.8589 178.3554 145 G 3.5914 7.8951 104.9975 46.3717 0.0000 173.6083 146 H 4.3864 7.6218 117.8606 57.6374 32.4113 174.5005 147 V 3.7208 7.0830 116.2112 65.1266 31.7631 176.8504 148 W 4.0824 8.3564 129.6320 60.0444 30.8063 177.1032 149 P 3.9595 0.0000 0.0000 63.5020 30.8990 177.3718 *151 Y 4.6465 8.0553 120.6051 57.7079 40.4031 177.1077 152 L 3.4959 7.2999 119.4461 57.4914 41.6470 179.5256 153 K 3.9091 7.8789 119.5966 59.3698 31.8431 178.3764 154 Y 4.3748 7.5997 118.8494 60.7085 38.9495 177.1614 155 R 3.4803 7.6331 118.3934 59.1144 30.0851 178.5189 156 Q 3.9716 7.5603 118.5423 58.6124 29.7679 178.1101 157 E 4.1837 7.5816 119.8609 56.2118 28.2177 177.7550 *159 Q 4.1877 7.9209 117.5165 55.7730 31.2036 176.9327 160 D 4.4317 8.1690 116.5417 56.5433 41.4118 176.8086 161 I 3.0312 6.7744 117.8439 60.8377 37.2070 175.1620 162 T 4.2631 8.3215 114.4068 61.4316 70.0649 174.3770 163 W 4.6671 7.5622 118.8709 55.0316 30.4473 174.1210 164 E 4.3070 8.7972 119.0739 54.7140 29.9006 174.8762 165 V 4.0796 7.8720 126.1985 60.9479 33.6101 174.8766 166 V 4.0569 8.2030 128.7597 62.0943 32.3937 174.4216 167 Y 4.8563 8.7625 126.4556 57.7505 38.8031 175.1043 168 L 4.9274 9.2277 123.4828 52.9429 45.9646 175.4779 169 D 4.9714 8.7107 121.9016 53.0829 41.3789 177.2480 170 G 3.8265 9.2209 116.9511 47.7001 0.0000 173.5692 171 T 4.0945 7.7959 109.2448 63.3007 69.2763 175.0723 172 K 4.1931 7.5016 121.6416 55.7951 32.9086 176.8282 173 S 4.2991 8.3128 113.4492 58.3954 64.2931 174.2906 174 E 3.9685 8.6457 127.1726 59.3156 29.5486 178.8827 175 E 4.2496 8.1424 116.9549 59.0597 29.9987 178.5609 176 D 4.3754 7.9812 119.8493 57.0750 40.9374 178.4001 177 L 3.9601 7.9950 119.5696 57.8008 41.6391 179.0270 178 F 4.1949 8.0793 120.2682 61.7045 39.2568 177.2468 179 L 3.6802 8.1361 118.1901 57.2697 40.8398 179.2305 180 Q 4.0715 7.9688 119.9703 59.0290 28.8933 178.4160 181 V 3.4273 7.6602 119.3134 65.8029 31.3495 177.1653 182 Y 4.1789 7.6992 118.5106 60.9682 38.7151 177.7214 183 E 3.8661 8.0473 119.1234 59.5942 29.5591 178.6228 184 D 4.3650 7.7911 116.7514 57.8546 41.2868 178.7668 185 L 4.1842 8.3646 119.1856 57.2610 41.5062 179.0446 186 I 3.9156 7.6892 119.6528 62.7864 37.0639 176.7717 187 Q 4.5561 7.1804 116.1022 56.0094 28.4961 176.4550 188 E 4.6000 7.8061 117.1051 57.0862 32.6880 176.8680 189 L 3.9999 7.4764 116.4328 56.2355 42.5187 178.1377 190 A 4.0874 8.3978 122.8000 55.3743 18.2931 179.9783 191 K 4.2127 7.9922 110.8587 56.9808 31.6845 177.2780 192 Q 4.2789 7.8424 124.5034 56.1035 28.9614 175.5074 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 K 8.30 4.56 0.00 1.67 1.94 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.46 7.81 3 T 7.98 4.83 4.67 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 1.16 0.00 0.00 4 F 10.29 4.79 0.00 3.15 3.10 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 5 I 7.98 4.79 1.97 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.66 0.86 0.00 0.00 6 I 9.31 5.04 2.06 0.00 0.00 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 1.59 1.19 1.23 0.00 0.00 7 G 9.01 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 8 I 8.79 5.11 1.91 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 1.28 0.94 0.94 0.00 0.00 9 S 9.56 5.70 0.00 2.96 3.29 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 0.00 10 G 8.28 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 11 V 6.83 3.95 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 0.00 0.00 0.60 0.00 0.00 0.56 0.00 0.00 12 T 8.34 3.87 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 1.35 0.00 0.00 13 N 8.75 4.29 0.00 2.94 2.90 0.00 0.00 7.00 7.57 0.00 0.00 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 7.62 4.32 0.00 3.97 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 G 8.36 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 0.00 0.00 0.00 0.00 16 K 8.41 3.94 0.00 1.91 1.88 0.00 1.83 0.00 0.00 1.86 0.00 0.00 3.10 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.49 1.51 7.81 17 T 7.85 3.92 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 1.21 0.00 0.00 18 T 7.81 3.88 4.37 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 1.18 0.00 0.00 19 L 8.08 4.04 0.00 1.79 1.67 0.99 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.11 4.01 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 21 K 8.10 3.94 0.00 1.75 1.82 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.69 1.60 7.81 22 N 7.92 4.02 0.00 2.75 2.04 0.00 0.00 7.00 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 23 L 7.89 4.31 0.00 1.83 1.89 1.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.03 4.04 0.00 2.08 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.98 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 25 K 7.92 4.09 0.00 1.66 1.58 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.38 1.65 7.81 26 H 7.56 4.88 0.00 2.97 3.30 0.00 5.81 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.37 4.91 0.00 1.90 1.71 1.09 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.45 0.00 2.23 2.11 0.00 4.01 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 29 N 8.82 4.20 0.00 3.05 3.11 0.00 0.00 6.68 7.65 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 30 C 8.21 5.44 0.00 3.17 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 31 S 9.37 5.07 0.00 3.94 3.81 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 0.00 0.00 0.00 0.00 32 V 8.27 4.90 2.11 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 0.84 0.00 0.00 1.00 0.00 0.00 33 I 8.97 4.64 1.86 0.00 0.00 0.72 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 0.57 1.04 0.00 0.00 34 S 8.60 5.36 0.00 4.02 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 35 Q 9.35 4.13 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.21 0.00 36 D 8.18 4.74 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 37 D 8.13 4.53 0.00 2.27 2.34 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 38 F 7.97 4.83 0.00 3.04 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 39 F 8.42 4.87 0.00 3.03 3.09 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 40 K 9.09 4.40 0.00 1.69 1.81 0.00 1.84 0.00 0.00 1.98 0.00 0.00 2.99 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.70 1.59 7.81 41 P 0.00 4.50 0.00 2.25 2.22 0.00 3.90 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.97 0.00 42 E 8.99 4.12 0.00 2.09 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 0.00 2.46 2.48 0.00 43 S 8.06 4.43 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 44 E 8.27 4.50 0.00 2.16 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 2.27 2.27 0.00 45 I 7.10 4.05 1.67 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.05 0.28 0.00 0.00 46 E 8.60 4.90 0.00 1.89 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 2.29 2.25 0.00 47 T 8.29 4.95 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 1.23 0.00 0.00 48 D 8.74 4.75 0.00 3.03 3.10 0.00 0.00 0.00 0.00 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7.86 4.31 0.00 3.93 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 69 A 7.74 4.16 1.44 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 70 I 7.55 3.76 1.80 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.43 0.83 0.00 0.00 71 S 8.00 4.32 0.00 4.02 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 72 C 8.29 4.49 0.00 3.26 3.05 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 73 W 7.90 3.99 0.00 3.40 3.35 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 *75 E 8.12 4.16 0.00 2.02 2.28 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 2.28 2.26 0.00 76 S 7.89 4.38 0.00 3.99 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 77 A 7.51 3.68 0.50 0.00 0.00 0.00 0.00 0.00 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0.00 139 S 8.14 4.41 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 0.00 140 P 0.00 4.39 0.00 2.15 2.11 0.00 3.86 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 141 G 9.13 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 0.00 0.00 0.00 142 Y 8.13 3.85 0.00 3.28 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 0.00 143 F 8.33 3.96 0.00 3.20 3.09 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 0.00 144 D 8.31 4.64 0.00 2.81 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 0.00 145 G 7.90 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 H 7.62 4.39 0.00 2.11 2.09 0.00 5.97 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 V 7.08 3.72 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 0.91 0.00 0.00 0.65 0.00 0.00 148 W 8.36 4.08 0.00 2.84 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 0.00 149 P 0.00 3.96 0.00 2.13 2.04 0.00 3.56 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.11 0.00 *151 Y 8.06 4.65 0.00 2.84 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 0.00 152 L 7.30 3.50 0.00 1.70 1.51 0.98 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 153 K 7.88 3.91 0.00 1.88 1.76 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.42 7.81 154 Y 7.60 4.37 0.00 2.81 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 0.00 155 R 7.63 3.48 0.00 1.48 1.64 0.00 2.95 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.39 0.00 156 Q 7.56 3.97 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.64 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 157 E 7.58 4.18 0.00 2.21 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 2.36 2.53 0.00 *159 Q 7.92 4.19 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.08 0.00 0.00 0.00 0.00 0.00 2.12 2.23 0.00 160 D 8.17 4.43 0.00 2.62 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 0.00 161 I 6.77 3.03 1.33 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.03 -0.51 0.00 0.00 162 T 8.32 4.26 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 1.24 0.00 0.00 163 W 7.56 4.67 0.00 3.38 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 0.00 164 E 8.80 4.31 0.00 1.93 1.90 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 2.13 2.23 0.00 165 V 7.87 4.08 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.08 0.00 0.00 166 V 8.20 4.06 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 1.09 0.00 0.00 0.80 0.00 0.00 167 Y 8.76 4.86 0.00 2.97 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 0.00 168 L 9.23 4.93 0.00 1.65 1.60 0.90 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 169 D 8.71 4.97 0.00 2.80 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 0.00 170 G 9.22 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 171 T 7.80 4.09 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 1.26 0.00 0.00 172 K 7.50 4.19 0.00 2.04 1.85 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.42 7.81 173 S 8.31 4.30 0.00 3.90 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 0.00 174 E 8.65 3.97 0.00 2.07 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 2.36 2.36 0.00 175 E 8.14 4.25 0.00 2.34 2.22 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 2.38 2.44 0.00 176 D 7.98 4.38 0.00 2.96 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 0.00 177 L 7.99 3.96 0.00 1.91 1.74 0.99 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 178 F 8.08 4.19 0.00 3.09 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 0.00 179 L 8.14 3.68 0.00 1.70 1.64 0.97 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 180 Q 7.97 4.07 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 181 V 7.66 3.43 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 0.45 0.00 0.00 0.52 0.00 0.00 182 Y 7.70 4.18 0.00 2.15 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 E 8.05 3.87 0.00 2.03 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 2.28 2.58 0.00 184 D 7.79 4.36 0.00 2.95 2.99 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 0.00 185 L 8.36 4.18 0.00 2.07 1.65 1.31 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 186 I 7.69 3.92 1.75 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.48 0.76 0.00 0.00 187 Q 7.18 4.56 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 188 E 7.81 4.60 0.00 2.07 2.02 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 2.37 2.39 0.00 189 L 7.48 4.00 0.00 1.51 1.58 0.79 0.40 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 0.00 190 A 8.40 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 191 K 7.99 4.21 0.00 1.79 1.86 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.46 7.81 192 Q 7.84 4.28 0.00 2.14 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.55 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.