NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4414 8.1933 115.2947 58.4752 64.6337 175.8991 5 N 4.2627 8.1984 117.4234 55.3861 38.3722 175.2711 6 R 3.8924 8.3629 119.8620 59.7399 30.3814 177.1404 7 E 3.8625 8.3225 117.9717 59.5681 29.6054 178.7224 8 L 3.8432 7.7538 118.4891 57.6930 41.6309 179.7875 9 V 3.8778 7.9697 118.0298 66.1795 31.5819 178.2072 10 V 2.7863 7.7619 117.9792 65.6379 31.2422 177.3230 11 D 4.1360 8.0174 117.7393 57.3269 41.0629 178.1692 12 F 4.0181 8.2658 120.9490 61.2897 39.4597 177.1568 13 L 4.1658 8.5626 119.1107 57.9581 41.3550 179.5007 14 S 4.2310 8.2431 115.5158 61.8259 62.7480 176.2482 15 Y 4.1985 7.9213 121.9475 60.8595 38.3495 178.3706 16 K 3.8897 7.6956 117.9967 59.0650 32.3671 179.1351 17 L 4.3335 8.1776 119.7314 57.9428 41.5770 179.6810 18 S 4.3936 8.2568 115.6463 61.0914 62.6313 176.4770 19 Q 3.8857 7.8192 120.3436 57.6535 28.4373 177.7012 20 K 4.2239 7.6816 117.6054 55.6770 32.5232 177.1597 21 G 3.7538 7.9260 107.7720 45.5337 0.0000 172.8166 22 Y 4.9968 7.5626 116.2611 55.9655 40.3127 174.7403 23 S 4.8653 8.4969 118.8535 56.3601 64.9514 173.5456 24 W 4.3992 9.3747 135.0000 60.5888 30.8707 176.3629 25 S 3.6344 8.1268 109.5862 59.2822 61.1404 172.5886 *83 S 4.4156 7.5193 112.9131 58.7483 65.4497 176.2896 84 E 3.9583 8.1076 120.9019 59.2890 29.1649 178.6629 85 A 3.9955 7.8914 120.4718 54.9748 18.5259 179.7076 86 V 3.5922 7.5797 116.1903 66.0646 31.7668 177.9816 87 K 3.7109 8.2312 118.5791 59.6093 31.9000 178.9205 88 Q 3.8249 8.3956 119.6347 59.2989 28.9930 178.3326 89 A 4.0458 8.1931 121.6449 54.9721 18.2581 179.4437 90 L 4.1600 8.1968 119.0766 58.2747 42.0842 179.2860 91 R 4.0430 8.0831 118.0173 59.3955 29.9964 178.8281 92 E 4.0370 8.4332 118.1325 59.5221 29.5214 179.3670 93 A 4.2877 8.4240 120.9054 54.9915 18.4744 179.7591 94 G 4.0655 8.8563 104.6537 48.4580 0.0000 175.2338 95 D 4.5347 8.5928 122.3379 57.2779 40.8609 179.0509 96 E 4.0955 8.4115 119.3719 59.1162 29.6542 178.3228 97 F 4.4309 9.0441 121.1564 61.7105 39.4317 177.0066 98 E 4.0677 8.6560 117.7352 58.4729 28.9408 178.9764 99 L 4.0262 7.2762 118.7353 57.8998 42.5203 178.3899 100 R 3.8900 7.8877 116.5916 58.4039 30.3179 177.3584 101 Y 4.5120 7.8884 116.7892 57.3219 38.7481 178.2291 102 R 4.0586 7.7964 120.5473 58.4786 29.4816 177.6323 103 R 3.8232 7.9128 119.1455 59.4257 30.3965 178.0165 104 A 4.0396 8.0892 120.1225 55.0409 18.2860 179.0708 105 F 3.9663 8.5366 119.5068 61.6908 39.5394 177.6455 106 S 4.3376 8.4219 113.7155 61.3858 62.6933 175.9605 107 D 4.4016 8.3657 122.4316 57.1005 40.7041 178.3001 108 L 4.0502 7.8874 120.5341 58.3530 42.3571 178.7533 109 T 3.8834 8.0897 115.9310 66.8589 68.5323 176.3576 110 S 4.4954 8.0596 112.6058 59.6572 63.2654 174.4472 111 Q 4.4410 7.9324 119.0280 55.7579 29.8589 175.5594 112 L 4.0674 7.4949 117.6384 54.8251 41.2295 176.6476 113 H 4.6428 8.5544 125.2548 54.4375 28.8133 173.5639 114 I 4.0574 7.9523 127.0645 60.8377 38.0443 175.9192 115 T 4.7763 8.0955 113.0228 59.0071 71.8590 173.2998 116 P 4.3678 0.0000 0.0000 65.5690 31.4661 178.0892 117 G 3.8643 8.1053 105.0952 46.9271 0.0000 173.7077 118 T 4.5646 7.7496 107.6542 60.4472 70.4409 175.8024 119 A 4.0818 8.2462 125.1260 55.6098 18.3733 178.9782 120 Y 2.6655 7.8284 117.4551 60.3288 38.7756 177.6497 121 Q 3.9073 8.1124 119.9494 59.4451 29.0027 178.5317 122 S 4.1037 8.1676 115.8722 61.5312 62.8872 176.2510 123 F 4.4229 8.2503 123.2658 61.6146 39.0101 176.8373 124 E 3.6216 8.3006 119.0817 59.1184 29.3983 178.3294 125 Q 3.8273 8.1900 119.9613 59.1891 29.0180 178.6060 126 V 3.3206 7.2854 118.7169 65.5051 31.4176 178.2326 127 V 3.2231 7.3326 118.0306 65.7166 31.0081 177.7217 128 N 4.2851 7.9389 115.6611 56.2610 38.5863 176.4667 129 E 3.9398 7.8358 120.5694 59.3638 29.4481 178.7163 130 L 3.6196 7.4698 118.8554 57.0669 42.3199 177.9116 131 F 4.9635 7.3230 116.6185 56.1308 39.1486 177.1563 132 R 3.8562 7.4432 120.9852 59.2344 29.8505 176.9217 133 D 4.6516 8.0915 113.9663 53.6569 40.7514 174.6323 134 G 3.8179 7.1233 106.2706 43.8360 0.0000 173.1735 135 V 4.2878 7.7072 118.5006 60.5091 33.8401 174.5063 136 N 4.2681 7.6474 122.5065 49.8418 41.5824 175.3659 137 W 4.6765 8.8409 120.2947 60.1814 29.1002 178.8564 138 G 3.6447 8.2963 104.9355 48.0532 0.0000 175.7900 139 R 3.7156 8.5801 120.7317 58.7679 30.1099 179.1922 140 I 4.0241 7.9136 119.8408 64.3830 37.1125 178.5972 141 V 3.6649 8.2552 119.0876 66.0666 31.3553 177.8739 142 A 3.0390 7.6549 120.4634 54.6367 17.9846 179.2247 143 F 4.0827 8.4493 119.4136 61.7359 39.4557 177.4720 144 F 3.6285 8.2681 116.8810 60.4167 38.5340 177.9223 145 S 4.6348 8.2090 114.9386 61.5216 62.6635 176.3601 146 F 4.3623 8.7379 123.9778 61.4427 39.1624 177.3517 147 G 3.4919 7.8638 105.3583 47.5594 0.0000 175.7122 148 G 3.8634 8.5243 107.9053 47.6676 0.0000 175.5252 149 A 4.1051 8.5557 124.0358 54.7733 18.3612 179.3247 150 L 3.8289 8.0332 119.1733 58.4693 42.0479 179.1551 151 C 4.0641 8.0901 116.4530 62.8167 28.1985 175.9235 152 V 3.7118 7.9817 119.9710 66.3530 31.0792 177.7097 153 E 4.0140 8.3729 118.7396 59.3586 29.4676 178.8928 154 S 4.1129 8.2301 115.3579 61.4553 62.7668 176.8979 155 V 3.3342 7.7558 120.8871 65.9783 30.9983 177.4752 156 D 4.4950 7.7878 117.3868 57.4402 40.7803 178.4573 157 K 4.3326 7.5831 114.9363 55.1290 32.7171 176.4726 158 E 3.8962 8.2509 117.7879 58.4400 27.8226 174.7020 159 M 4.7927 8.2331 113.1363 54.2556 33.1369 178.3263 160 Q 3.8592 7.9491 119.3871 59.1834 28.8882 178.9071 161 V 3.5507 7.7187 112.1827 64.4072 31.8077 177.9644 162 L 3.9540 8.0366 118.3105 56.7546 41.3898 179.3334 163 V 3.4373 7.4210 119.0828 66.1356 31.3419 178.2221 164 S 3.9951 7.6568 113.1596 61.3539 62.7183 176.4783 165 R 3.4278 7.3139 121.1933 58.7638 29.8251 178.7317 166 I 2.8343 7.3892 119.6682 63.9130 36.9969 178.3045 167 A 4.0023 7.8325 121.4163 54.9862 18.2164 179.6151 168 A 3.9377 7.5008 118.9506 55.1830 18.5019 179.8619 169 W 4.4841 7.8956 117.6078 60.2292 29.0247 178.6972 170 M 4.5809 8.3365 118.3991 58.6152 31.3932 178.6883 171 A 4.1665 8.1570 120.8758 55.4669 18.5233 179.8455 172 T 3.8844 8.2396 114.3074 66.9263 68.5821 176.2259 173 Y 4.0566 8.4040 121.4315 60.6638 38.8812 177.9822 174 L 3.8708 8.2835 119.7938 58.0504 41.6093 179.2836 175 N 4.3469 8.5669 115.1578 56.4199 38.5830 176.8474 176 D 4.3717 8.4026 118.9568 56.7127 41.2720 177.6580 177 H 4.4576 7.8575 114.6251 56.5626 30.4353 176.2471 178 L 3.9810 7.1540 119.5125 56.1786 41.8398 178.2971 179 E 3.9086 8.0201 119.7059 59.0429 29.5957 177.0705 180 P 4.1694 0.0000 0.0000 65.3387 31.3934 178.4154 181 W 3.8247 7.9654 126.5379 60.2823 30.6320 177.7453 182 I 3.3189 7.9809 119.9902 64.6790 36.6319 178.4535 183 Q 3.9168 8.1250 118.6840 58.9073 28.2751 178.5308 184 E 3.9681 7.7491 119.2494 58.1197 29.5839 177.4603 185 N 4.5984 7.0684 115.0763 52.6164 39.5007 175.6400 186 G 4.1905 6.7708 106.1859 45.5449 0.0000 175.7430 187 G 4.0362 8.4219 110.8264 44.3795 0.0000 174.8125 188 W 4.2206 8.6487 116.9760 59.6289 28.7632 178.4068 189 D 4.5040 8.3589 118.7802 57.6389 40.3390 178.6878 190 T 3.8845 7.9950 116.1501 66.1847 68.3567 176.5295 191 F 3.2781 7.6842 122.2206 60.9866 39.2223 177.2185 192 V 3.3829 7.8842 117.5989 66.0429 31.1781 177.4230 193 E 3.8859 8.0500 117.8203 59.0211 29.3939 178.0554 194 L 4.0270 7.0801 116.9623 55.4126 42.2885 176.8209 195 Y 4.7160 7.2628 112.6354 56.9334 39.8571 175.7274 196 G 3.6317 8.1088 110.0555 46.0532 0.0000 173.9848 197 N 4.4820 8.7059 118.0508 53.6277 38.7885 174.3000 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 4 S 8.19 4.44 0.00 3.90 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 5 N 8.20 4.26 0.00 3.04 2.99 0.00 0.00 6.59 6.78 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 6 R 8.36 3.89 0.00 1.88 1.98 0.00 3.42 0.00 0.00 3.30 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 0.00 7 E 8.32 3.86 0.00 2.14 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 2.33 2.39 0.00 8 L 7.75 3.84 0.00 1.94 1.70 -0.22 0.32 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 9 V 7.97 3.88 2.35 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 1.02 0.00 0.00 1.08 0.00 0.00 10 V 7.76 2.79 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 0.13 0.00 0.00 0.79 0.00 0.00 11 D 8.02 4.14 0.00 2.80 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.27 4.02 0.00 3.17 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 13 L 8.56 4.17 0.00 1.57 1.86 1.03 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.24 4.23 0.00 3.84 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 15 Y 7.92 4.20 0.00 2.90 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 16 K 7.70 3.89 0.00 1.77 1.84 0.00 1.94 0.00 0.00 1.62 0.00 0.00 2.65 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.96 1.19 7.81 17 L 8.18 4.33 0.00 2.07 2.06 1.22 0.86 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 18 S 8.26 4.39 0.00 4.07 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 19 Q 7.82 3.89 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.82 0.00 0.00 0.00 0.00 0.00 2.05 1.93 0.00 20 K 7.68 4.22 0.00 1.62 1.38 0.00 1.69 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.55 1.66 7.81 21 G 7.93 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 0.00 0.00 0.00 22 Y 7.56 5.00 0.00 3.16 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 23 S 8.50 4.87 0.00 3.89 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 24 W 9.37 4.40 0.00 3.34 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 S 8.13 3.63 0.00 4.11 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 *83 S 7.52 4.42 0.00 3.98 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 0.00 84 E 8.11 3.96 0.00 1.97 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 2.37 2.29 0.00 85 A 7.89 4.00 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 86 V 7.58 3.59 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 0.63 0.00 0.00 1.03 0.00 0.00 87 K 8.23 3.71 0.00 1.90 1.86 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.47 7.81 88 Q 8.40 3.82 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.29 0.00 89 A 8.19 4.05 1.49 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 0.00 0.00 0.00 90 L 8.20 4.16 0.00 1.68 1.69 0.59 -0.53 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 91 R 8.08 4.04 0.00 1.81 1.40 0.00 2.79 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.64 0.00 92 E 8.43 4.04 0.00 2.14 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 0.00 2.36 2.45 0.00 93 A 8.42 4.29 1.66 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 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.86 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 0.00 0.00 0.00 0.00 95 D 8.59 4.53 0.00 3.02 2.85 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 96 E 8.41 4.10 0.00 2.32 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 2.41 2.47 0.00 97 F 9.04 4.43 0.00 3.19 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 98 E 8.66 4.07 0.00 2.31 1.79 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 2.83 2.90 0.00 99 L 7.28 4.03 0.00 1.77 1.84 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 100 R 7.89 3.89 0.00 1.71 1.56 0.00 3.28 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 2.01 0.00 101 Y 7.89 4.51 0.00 2.13 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 0.00 102 R 7.80 4.06 0.00 1.93 2.28 0.00 3.05 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.49 0.00 103 R 7.91 3.82 0.00 1.89 1.98 0.00 3.20 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 104 A 8.09 4.04 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 0.00 105 F 8.54 3.97 0.00 3.33 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 0.00 106 S 8.42 4.34 0.00 4.19 4.22 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 0.00 0.00 0.00 107 D 8.37 4.40 0.00 2.85 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 0.00 108 L 7.89 4.05 0.00 1.73 1.76 0.84 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 109 T 8.09 3.88 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 110 S 8.06 4.50 0.00 4.03 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 0.00 111 Q 7.93 4.44 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.98 0.00 0.00 0.00 0.00 0.00 2.55 2.44 0.00 112 L 7.49 4.07 0.00 1.75 1.70 0.99 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 113 H 8.55 4.64 0.00 3.08 3.28 0.00 5.92 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.95 4.06 1.86 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.94 0.93 0.00 0.00 115 T 8.10 4.78 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 1.20 0.00 0.00 116 P 0.00 4.37 0.00 2.10 2.20 0.00 3.69 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 2.04 2.09 0.00 117 G 8.11 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 0.00 118 T 7.75 4.56 4.28 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 0.00 0.00 1.25 0.00 0.00 119 A 8.25 4.08 1.69 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 0.00 120 Y 7.83 2.67 0.00 2.53 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 0.00 121 Q 8.11 3.91 0.00 2.19 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 122 S 8.17 4.10 0.00 4.16 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 0.00 123 F 8.25 4.42 0.00 3.14 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 0.00 124 E 8.30 3.62 0.00 1.62 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 2.23 2.27 0.00 125 Q 8.19 3.83 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 126 V 7.29 3.32 1.27 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 -0.29 0.00 0.00 0.71 0.00 0.00 127 V 7.33 3.22 1.49 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 0.08 0.00 0.00 0.25 0.00 0.00 128 N 7.94 4.29 0.00 2.65 2.81 0.00 0.00 6.99 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 0.00 129 E 7.84 3.94 0.00 2.04 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 2.17 2.22 0.00 130 L 7.47 3.62 0.00 1.29 1.23 0.50 0.19 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 0.00 131 F 7.32 4.96 0.00 3.02 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 0.00 132 R 7.44 3.86 0.00 1.92 1.99 0.00 3.18 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 133 D 8.09 4.65 0.00 2.64 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 G 7.12 3.82 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 0.00 135 V 7.71 4.29 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 0.00 0.00 -0.46 0.00 0.00 0.51 0.00 0.00 136 N 7.65 4.27 0.00 3.01 2.79 0.00 0.00 6.24 8.88 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 0.00 137 W 8.84 4.68 0.00 3.67 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 0.00 138 G 8.30 3.64 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 0.00 0.00 0.00 139 R 8.58 3.72 0.00 1.96 1.60 0.00 2.99 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.60 0.00 140 I 7.91 4.02 2.23 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.10 1.38 0.00 0.00 141 V 8.26 3.66 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 1.11 0.00 0.00 1.20 0.00 0.00 142 A 7.65 3.04 0.75 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 0.00 0.00 143 F 8.45 4.08 0.00 3.31 3.41 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 0.00 144 F 8.27 3.63 0.00 2.75 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 0.00 145 S 8.21 4.63 0.00 4.32 4.50 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 0.00 146 F 8.74 4.36 0.00 2.96 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 0.00 147 G 7.86 3.49 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 0.00 0.00 0.00 0.00 148 G 8.52 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 0.00 149 A 8.56 4.11 1.08 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 0.00 0.00 0.00 0.00 0.00 0.00 150 L 8.03 3.83 0.00 1.40 1.59 0.87 0.93 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 0.00 151 C 8.09 4.06 0.00 3.26 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 0.00 152 V 7.98 3.71 2.29 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 1.18 0.00 0.00 1.11 0.00 0.00 153 E 8.37 4.01 0.00 2.40 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 0.00 2.34 2.42 0.00 154 S 8.23 4.11 0.00 3.99 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 0.00 155 V 7.76 3.33 1.68 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 -0.02 0.00 0.00 0.68 0.00 0.00 156 D 7.79 4.50 0.00 2.92 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 0.00 157 K 7.58 4.33 0.00 1.70 1.81 0.00 1.88 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.63 1.61 7.81 158 E 8.25 3.90 0.00 2.06 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 2.22 2.22 0.00 159 M 8.23 4.79 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.44 0.00 160 Q 7.95 3.86 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 161 V 7.72 3.55 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 0.70 0.00 0.00 0.88 0.00 0.00 162 L 8.04 3.95 0.00 1.67 1.58 0.96 0.65 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 0.00 163 V 7.42 3.44 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 0.98 0.00 0.00 0.85 0.00 0.00 164 S 7.66 4.00 0.00 3.89 3.80 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 0.00 0.00 0.00 0.00 165 R 7.31 3.43 0.00 1.29 1.27 0.00 3.06 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 166 I 7.39 2.83 1.76 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.15 0.83 0.00 0.00 167 A 7.83 4.00 1.57 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 0.00 0.00 168 A 7.50 3.94 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 0.00 169 W 7.90 4.48 0.00 2.92 2.52 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 0.00 0.00 0.00 0.00 170 M 8.34 4.58 0.00 2.07 2.34 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.42 0.00 171 A 8.16 4.17 1.48 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 0.00 172 T 8.24 3.88 4.64 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 1.37 0.00 0.00 173 Y 8.40 4.06 0.00 3.52 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 0.00 174 L 8.28 3.87 0.00 2.14 1.82 1.12 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 175 N 8.57 4.35 0.00 2.85 2.90 0.00 0.00 7.16 8.53 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 0.00 176 D 8.40 4.37 0.00 2.31 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 0.00 0.00 0.00 0.00 177 H 7.86 4.46 0.00 1.59 2.65 0.00 5.64 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 L 7.15 3.98 0.00 1.60 1.47 0.31 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 179 E 8.02 3.91 0.00 2.34 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 2.33 2.42 0.00 180 P 0.00 4.17 0.00 2.15 2.05 0.00 3.71 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 181 W 7.97 3.82 0.00 3.22 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 0.00 182 I 7.98 3.32 1.97 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.52 0.79 0.00 0.00 183 Q 8.13 3.92 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.80 0.00 0.00 0.00 0.00 0.00 2.64 2.51 0.00 184 E 7.75 3.97 0.00 1.85 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 2.12 2.09 0.00 185 N 7.07 4.60 0.00 1.44 2.01 0.00 0.00 7.30 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 0.00 186 G 6.77 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 0.00 187 G 8.42 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 0.00 188 W 8.65 4.22 0.00 3.53 3.33 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 0.00 189 D 8.36 4.50 0.00 2.83 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 0.00 190 T 8.00 3.88 4.55 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 1.31 0.00 0.00 191 F 7.68 3.28 0.00 1.51 2.93 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 0.00 192 V 7.88 3.38 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 0.92 0.00 0.00 1.15 0.00 0.00 193 E 8.05 3.89 0.00 2.10 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 0.00 2.24 2.30 0.00 194 L 7.08 4.03 0.00 0.44 0.43 0.95 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 195 Y 7.26 4.72 0.00 1.97 2.60 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 0.00 196 G 8.11 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 0.00 0.00 0.00 197 N 8.71 4.48 0.00 2.83 2.77 0.00 0.00 6.82 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 * Residues marked with a * may have inaccurate shift predictions.