NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3433 8.3149 120.1421 55.2466 33.7698 175.5036 2 P 4.1884 0.0000 0.0000 62.3372 32.0256 175.9526 3 A 4.3378 8.4443 122.8767 54.2802 19.2017 179.7275 4 S 4.3744 8.0901 111.8804 61.5566 62.8942 176.0321 5 M 3.9824 7.6472 121.1342 57.1857 30.5147 176.3233 6 Y 4.8156 7.4574 113.2608 56.9871 40.4200 177.2747 7 R 4.4444 8.5781 117.1696 58.2877 29.7600 176.9232 8 D 4.7633 7.3137 115.9043 54.1818 41.9683 176.7066 9 I 4.4502 8.0558 122.7302 60.8498 36.4567 175.6154 10 D 4.9365 7.8140 114.7041 52.7417 40.1948 176.5376 11 K 4.6839 7.6204 117.5257 53.9784 35.1854 174.1933 12 P 4.4013 0.0000 0.0000 62.2840 31.8851 176.3520 13 A 4.2895 8.4375 123.4748 52.7148 18.9076 177.5144 14 Y 4.9028 10.3217 125.0150 55.7402 38.9355 175.2292 15 T 4.4840 7.9657 110.1255 60.2688 70.7446 175.9187 16 R 4.1480 7.6729 122.1384 56.0529 28.2145 177.1032 17 R 3.9411 8.1483 121.3575 57.7516 30.2950 177.7010 18 E 3.9961 7.6505 114.6992 57.3883 30.0273 176.4813 19 Y 4.8361 7.8506 115.4029 57.4451 39.5978 175.1642 20 I 4.6679 7.5549 120.8549 59.4521 40.1173 174.7934 21 T 4.6172 8.4304 114.2694 60.9701 71.4429 173.5084 22 G 3.8101 8.8327 109.5980 46.3805 0.0000 173.4435 23 I 3.9625 7.6682 120.5388 59.5987 37.6574 174.6354 24 P 4.3561 0.0000 0.0000 62.2253 31.8344 176.6678 25 G 3.7704 8.3031 110.3053 45.2939 0.0000 173.2921 26 S 4.3249 8.3091 115.0739 57.8590 63.0246 174.3577 27 K 4.2783 8.7314 124.4589 56.7312 32.5250 176.8659 28 I 4.0096 7.4734 120.1624 61.1000 36.8521 175.8200 29 A 4.1911 9.6671 130.4473 54.9658 18.4332 177.4126 30 Q 4.7202 7.6150 110.9518 55.3643 32.9135 173.8889 31 H 4.7590 8.8859 115.5088 55.7035 31.3812 174.1405 32 K 5.0877 8.1757 116.8994 54.9903 34.9084 175.3075 33 M 4.6435 9.3181 124.7241 53.2205 35.8693 176.7170 34 G 3.4153 8.8381 107.0504 46.2365 0.0000 177.1656 35 R 4.3275 8.5571 121.1093 54.2133 28.8641 176.5693 36 K 4.3299 8.1798 118.9104 57.7417 33.1454 178.6772 37 Q 4.1488 7.8523 118.8117 57.9416 29.2638 176.2893 38 K 4.2772 7.5022 118.1732 55.7537 33.1899 175.6437 39 D 4.7342 8.8115 123.3036 52.7924 42.0526 177.8095 40 A 3.5219 8.4193 125.1336 55.3401 18.3027 179.5154 41 D 4.4850 7.8810 113.7625 56.8017 41.0675 176.7408 42 D 4.6354 8.2611 118.1662 54.5666 40.6812 175.4372 43 Y 4.7845 7.4410 117.1161 55.6046 40.5136 174.4071 44 P 4.4606 0.0000 0.0000 64.5631 32.1503 176.7695 45 V 5.3159 7.8569 117.4232 60.4612 34.3873 174.9108 46 Q 4.7008 8.5403 127.2376 54.8417 32.3072 173.1725 47 I 5.1424 8.3151 127.1176 59.6733 40.8521 174.9969 48 S 5.2289 9.2723 121.5093 56.6608 67.1522 172.4880 49 L 4.7319 8.3890 124.1491 53.5287 43.8109 174.9922 50 I 4.8463 8.7322 127.5928 59.2803 39.8084 175.1549 51 V 3.9358 8.3738 128.0336 63.1080 32.0374 176.1543 52 E 4.4491 9.0590 127.0495 57.2445 29.9528 176.2973 53 E 4.7699 7.7358 117.9990 54.5803 33.9435 175.1799 54 T 4.2976 8.4916 120.0176 64.0431 69.2039 174.0795 55 V 4.5830 8.8390 118.5928 60.8278 36.9942 172.4769 56 Q 5.0424 9.0962 120.7150 54.3236 31.3095 175.0954 57 L 4.9367 8.7422 124.5759 52.6603 44.0282 176.7231 58 R 4.4602 8.6228 123.7154 56.0756 30.9931 177.5637 59 H 4.2495 9.0939 117.8068 59.0495 28.2854 178.2843 60 G 3.4722 7.7258 107.7973 47.3840 0.0000 175.5801 61 S 4.1626 8.1075 115.5234 61.0888 62.4467 176.1474 62 L 3.9890 7.8232 121.2966 57.8748 41.3930 178.9695 63 E 4.0419 8.2842 119.0097 58.9900 29.4276 178.8194 64 A 3.9673 7.8240 120.6959 55.2066 18.4126 179.8203 65 S 4.0792 8.3472 113.1307 61.5616 63.0279 176.6603 66 R 3.4967 8.6975 122.8162 58.8990 29.8792 178.0224 67 L 3.9163 8.1251 120.5181 58.2435 41.9088 179.0651 68 S 4.3453 8.5123 114.2294 60.9947 62.6392 176.3306 69 A 3.8911 7.4596 124.7417 54.9822 18.4871 178.9956 70 N 4.1507 8.2481 115.7555 56.7745 39.0458 176.9464 71 R 3.8814 8.5459 120.4389 59.5213 30.0278 178.1276 72 H 4.0790 7.5597 118.2866 59.2473 29.9611 177.1193 73 L 3.6850 7.6369 120.7340 57.7749 41.1863 179.8231 74 I 3.9172 8.0641 120.0846 64.3232 36.9159 178.4058 75 K 3.8782 7.7812 118.9801 58.7973 31.9729 177.6598 76 E 4.3087 7.7830 117.1803 56.5624 30.6231 177.0707 77 L 4.6026 8.3254 117.0489 53.0351 42.7826 177.1360 78 G 4.2019 8.0646 105.4356 45.4796 0.0000 174.6410 79 E 3.9944 8.7054 119.5399 58.8726 29.5852 177.5684 80 E 4.7115 7.8408 117.5107 55.4162 30.7864 176.0940 81 G 4.0945 8.1196 106.6626 45.2850 0.0000 174.5648 82 D 4.6311 8.4191 120.6940 52.5866 39.8101 174.4762 83 Y 4.8115 7.5002 122.1636 56.2573 41.3858 172.8355 84 K 4.8872 8.3251 117.5254 55.9489 36.3013 174.5205 85 M 5.3889 9.1191 123.2754 54.1014 35.6077 174.1409 86 T 5.2060 9.5430 121.7776 61.7956 72.4632 172.9173 87 L 4.9567 9.0664 129.0518 53.4542 42.2236 176.1830 88 R 4.3298 8.5261 122.5993 57.2157 30.1081 176.8575 89 K 4.6675 7.6880 119.2470 54.8955 33.9417 175.5582 90 F 4.7567 8.4929 120.2218 54.9022 41.9692 174.7845 91 P 5.2979 0.0000 0.0000 62.8777 29.0360 175.3728 92 H 4.4199 8.2573 123.8739 58.7456 29.6975 175.7265 93 Q 4.2162 7.9957 121.8028 55.8103 29.7868 175.4196 94 V 4.3149 8.8473 127.9863 62.6680 32.5177 175.1120 95 L 4.9425 9.2764 127.4114 53.2159 44.5124 175.5643 96 R 5.2862 8.4434 119.4480 54.7553 34.3042 174.5340 97 E 4.5321 8.6901 119.7740 55.5777 33.3206 174.1306 98 N 4.9731 8.9257 126.5509 52.1353 37.8407 172.8322 99 K 4.5822 7.7816 123.5590 54.1821 32.0918 175.0069 *111 D 4.4063 7.8666 122.6434 54.7898 42.8258 173.0312 112 G 4.0959 8.4315 112.3380 45.8053 0.0000 172.2363 113 M 4.3765 8.5046 120.3367 54.4520 33.5727 176.4068 114 R 3.9196 7.8680 120.0062 57.2762 31.2316 175.9415 115 A 3.7673 8.6729 127.4692 53.3624 15.9764 177.0840 116 A 4.3429 7.7605 121.2541 52.9023 19.2328 177.8302 117 F 3.9582 8.3608 118.3274 58.0606 39.3678 175.1574 118 G 3.6881 7.9704 117.1561 45.3650 0.0000 172.1048 119 K 4.5251 8.4416 119.5686 55.4049 34.9853 176.1601 120 I 4.4084 8.3480 122.5865 62.0345 36.9933 176.2715 121 V 4.3031 9.0138 119.0204 60.4018 33.9494 175.9483 122 G 3.8571 7.0647 106.5382 46.0214 0.0000 171.3108 123 T 5.2740 7.3753 107.3576 60.4516 72.8480 172.4570 124 A 5.0857 9.0158 122.7518 50.9459 23.6258 174.6129 125 A 5.0100 8.9793 121.0253 50.2518 21.8155 176.1949 126 R 4.6853 8.6808 121.6791 55.3563 31.0646 175.9713 127 V 4.4607 8.6618 125.5551 61.1775 33.8178 175.1210 128 Q 4.6314 10.0794 127.8913 54.8018 30.3361 175.6006 129 A 4.2455 8.1418 125.2545 53.8686 18.8386 178.5944 130 G 3.9538 9.4203 110.9757 45.1276 0.0000 173.6504 131 E 4.4791 7.8127 119.2749 55.7212 31.4274 175.3846 132 Q 4.7242 8.3637 120.0441 55.3478 29.7254 175.0055 133 L 3.9816 8.9719 127.3767 57.2092 42.9872 176.0271 134 F 5.4761 7.7040 116.8059 56.0269 42.5765 174.3769 135 T 5.0979 9.2184 117.7947 62.1675 72.4816 173.1025 136 A 5.1345 9.2568 128.0891 50.3279 23.0923 174.6307 137 Y 4.9852 8.6007 116.1064 56.5367 42.2337 174.8087 138 C 5.3641 8.9286 118.0793 57.2390 34.2600 172.2737 139 N 5.0675 8.9412 115.5034 52.2432 39.2903 177.3839 140 V 3.5102 8.5046 121.9496 66.3511 32.3360 178.1372 141 E 3.9879 8.2901 118.2095 59.7771 29.4520 178.2270 142 D 4.6416 8.2601 115.9741 54.7227 40.7396 177.8801 143 A 3.9022 7.5960 122.5334 55.5490 18.1840 179.6196 144 E 4.0362 7.9602 115.2890 58.7590 29.6999 178.7740 145 H 4.3316 8.1105 117.4551 58.4379 28.9194 177.9444 146 V 3.2406 7.4270 120.5154 64.4073 31.3056 178.5108 147 K 3.9179 7.6637 118.8159 59.0165 31.9458 178.8265 148 E 3.9036 7.7763 119.5653 58.7333 29.5256 178.5723 149 A 3.8513 7.7267 121.1080 54.9130 18.2659 179.6863 150 F 4.4019 7.8986 116.4461 60.6520 38.7894 177.7675 151 R 2.5667 7.5895 117.3255 59.2296 29.9477 178.4927 152 R 3.8567 7.6194 117.1470 59.0243 30.0244 178.8984 153 A 4.0170 7.7773 120.9554 55.0408 18.2106 178.6107 154 Y 4.4524 7.8077 113.9430 58.6270 38.4441 176.7849 155 N 4.8627 7.7966 117.5777 54.3780 38.9434 175.5381 156 K 4.6442 7.6663 119.1355 55.6367 32.6957 175.7062 157 I 4.7599 7.4545 110.9331 59.0671 40.6707 175.1073 158 T 3.9861 8.8747 119.4656 66.5741 68.3317 173.0822 159 P 4.5466 0.0000 0.0000 62.7670 32.4316 175.4604 160 S 4.5301 8.4004 115.8163 58.3162 64.6471 173.0061 161 C 5.3877 7.9779 118.2917 58.3737 32.9225 173.2599 162 R 4.5915 8.8437 118.5822 54.6248 32.9019 175.5445 163 I 4.7129 8.5735 124.8340 60.3465 37.8854 174.2886 164 D 4.8439 9.0267 128.5188 52.4329 43.1029 174.9268 165 S 4.4076 8.7256 121.4698 58.8389 62.7490 172.2403 166 S 4.2517 9.4212 126.3813 59.7159 62.5760 173.3756 167 P 4.3871 0.0000 0.0000 63.8107 32.5507 175.4773 168 A 5.2488 8.1150 127.8445 52.4837 19.7917 175.2754 169 G 4.0285 8.3941 107.8215 45.4720 0.0000 172.5718 170 N 4.6667 7.9014 117.2313 51.9344 37.6533 175.1123 171 A 4.3345 7.5798 124.4966 52.2660 19.3611 177.0053 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 K 8.31 4.34 0.00 1.90 1.91 0.00 2.01 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.54 7.81 2 P 0.00 4.19 0.00 2.25 1.98 0.00 3.61 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 2.11 2.15 0.00 3 A 8.44 4.34 1.36 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 4 S 8.09 4.37 0.00 4.00 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 5 M 7.65 3.98 0.00 1.11 1.99 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.37 0.00 6 Y 7.46 4.82 0.00 3.05 2.92 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 0.00 0.00 0.00 7 R 8.58 4.44 0.00 1.96 2.28 0.00 3.04 0.00 0.00 3.28 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.57 0.00 8 D 7.31 4.76 0.00 2.75 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 9 I 8.06 4.45 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.59 0.93 0.00 0.00 10 D 7.81 4.94 0.00 2.74 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 11 K 7.62 4.68 0.00 1.75 1.72 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.41 7.81 12 P 0.00 4.40 0.00 2.10 2.04 0.00 3.68 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 2.05 2.11 0.00 13 A 8.44 4.29 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 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 10.32 4.90 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 15 T 7.97 4.48 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 1.30 0.00 0.00 16 R 7.67 4.15 0.00 2.08 2.11 0.00 3.32 0.00 0.00 3.40 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.78 0.00 17 R 8.15 3.94 0.00 1.71 1.91 0.00 3.16 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 18 E 7.65 4.00 0.00 1.48 1.74 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 1.47 1.47 0.00 19 Y 7.85 4.84 0.00 2.95 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 20 I 7.55 4.67 1.74 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.62 0.87 0.00 0.00 21 T 8.43 4.62 4.25 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 1.23 0.00 0.00 22 G 8.83 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 0.00 0.00 0.00 23 I 7.67 3.96 1.84 0.00 0.00 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 1.39 0.56 0.87 0.00 0.00 24 P 0.00 4.36 0.00 1.99 1.98 0.00 3.64 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 2.12 2.08 0.00 25 G 8.30 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 0.00 0.00 0.00 26 S 8.31 4.32 0.00 3.85 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 27 K 8.73 4.28 0.00 1.75 1.82 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.51 7.81 28 I 7.47 4.01 1.87 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 1.20 0.48 0.71 0.00 0.00 29 A 9.67 4.19 1.28 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 0.00 0.00 0.00 30 Q 7.61 4.72 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 31 H 8.89 4.76 0.00 3.15 3.40 0.00 5.75 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.18 5.09 0.00 1.65 1.77 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.55 7.81 33 M 9.32 4.64 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.63 0.00 34 G 8.84 3.42 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 0.00 35 R 8.56 4.33 0.00 1.85 1.87 0.00 3.14 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 36 K 8.18 4.33 0.00 1.88 1.94 0.00 1.59 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.46 7.81 37 Q 7.85 4.15 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.05 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 38 K 7.50 4.28 0.00 1.70 1.94 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.31 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.52 1.43 7.81 39 D 8.81 4.73 0.00 2.85 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 40 A 8.42 3.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 D 7.88 4.48 0.00 2.67 2.75 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 42 D 8.26 4.64 0.00 2.50 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 43 Y 7.44 4.78 0.00 3.16 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 44 P 0.00 4.46 0.00 2.11 2.15 0.00 3.98 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 45 V 7.86 5.32 2.33 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 1.08 0.00 0.00 0.98 0.00 0.00 46 Q 8.54 4.70 0.00 2.32 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.63 0.00 0.00 0.00 0.00 0.00 2.20 2.04 0.00 47 I 8.32 5.14 1.88 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 1.25 0.50 1.11 0.00 0.00 48 S 9.27 5.23 0.00 3.71 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 49 L 8.39 4.73 0.00 0.63 1.18 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.73 4.85 1.85 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 1.09 0.60 0.96 0.00 0.00 51 V 8.37 3.94 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 0.93 0.00 0.00 0.87 0.00 0.00 52 E 9.06 4.45 0.00 1.99 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 2.31 0.00 53 E 7.74 4.77 0.00 1.77 1.77 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 2.18 2.30 0.00 54 T 8.49 4.30 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 1.27 0.00 0.00 55 V 8.84 4.58 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 0.72 0.00 0.00 0.97 0.00 0.00 56 Q 9.10 5.04 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.55 0.00 57 L 8.74 4.94 0.00 1.52 1.55 0.86 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.62 4.46 0.00 1.86 1.82 0.00 2.90 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 59 H 9.09 4.25 0.00 3.35 3.53 0.00 5.27 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 7.73 3.47 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 0.00 61 S 8.11 4.16 0.00 3.91 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 62 L 7.82 3.99 0.00 1.84 1.66 0.79 0.84 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 63 E 8.28 4.04 0.00 2.08 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 2.41 2.36 0.00 64 A 7.82 3.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.35 4.08 0.00 4.31 4.25 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 66 R 8.70 3.50 0.00 2.27 2.04 0.00 3.23 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.93 0.00 67 L 8.13 3.92 0.00 2.06 1.77 0.99 0.76 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 68 S 8.51 4.35 0.00 4.02 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 69 A 7.46 3.89 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 70 N 8.25 4.15 0.00 2.80 2.80 0.00 0.00 6.95 7.61 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 71 R 8.55 3.88 0.00 1.98 1.89 0.00 3.12 0.00 0.00 3.08 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 72 H 7.56 4.08 0.00 3.39 3.35 0.00 5.85 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.64 3.69 0.00 1.54 0.73 0.31 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 74 I 8.06 3.92 2.02 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.99 0.95 0.00 0.00 75 K 7.78 3.88 0.00 1.81 1.89 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.44 7.81 76 E 7.78 4.31 0.00 1.62 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 1.97 2.10 0.00 77 L 8.33 4.60 0.00 1.79 1.75 0.91 0.85 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 78 G 8.06 4.20 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 0.00 79 E 8.71 3.99 0.00 1.97 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 2.33 2.37 0.00 80 E 7.84 4.71 0.00 1.89 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 2.18 2.26 0.00 81 G 8.12 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 82 D 8.42 4.63 0.00 2.70 2.75 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 83 Y 7.50 4.81 0.00 3.15 3.06 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 84 K 8.33 4.89 0.00 1.94 1.84 0.00 1.49 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.97 1.39 7.81 85 M 9.12 5.39 0.00 2.25 2.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.60 0.00 86 T 9.54 5.21 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 1.40 0.00 0.00 87 L 9.07 4.96 0.00 1.81 1.55 0.25 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.53 4.33 0.00 1.92 2.11 0.00 3.15 0.00 0.00 3.32 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.68 0.00 89 K 7.69 4.67 0.00 1.59 1.72 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.26 1.30 7.81 90 F 8.49 4.76 0.00 2.77 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 91 P 0.00 5.30 0.00 2.16 2.09 0.00 3.44 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 92 H 8.26 4.42 0.00 3.21 3.39 0.00 5.70 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 Q 8.00 4.22 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.10 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 94 V 8.85 4.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.82 0.00 0.00 95 L 9.28 4.94 0.00 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7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 115 A 8.67 3.77 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 0.00 116 A 7.76 4.34 1.36 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 0.00 117 F 8.36 3.96 0.00 2.96 3.07 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 0.00 118 G 7.97 3.69 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 0.00 119 K 8.44 4.53 0.00 1.88 1.98 0.00 1.35 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.55 1.43 7.81 120 I 8.35 4.41 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.67 0.99 0.00 0.00 121 V 9.01 4.30 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 0.77 0.00 0.00 0.82 0.00 0.00 122 G 7.06 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 0.00 123 T 7.38 5.27 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 124 A 9.02 5.09 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 0.00 125 A 8.98 5.01 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 0.00 126 R 8.68 4.69 0.00 1.74 1.93 0.00 3.22 0.00 0.00 3.18 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 127 V 8.66 4.46 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 0.99 0.00 0.00 0.88 0.00 0.00 128 Q 10.08 4.63 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 129 A 8.14 4.25 1.29 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 0.00 0.00 130 G 9.42 3.95 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 0.00 0.00 0.00 131 E 7.81 4.48 0.00 2.06 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 2.30 2.37 0.00 132 Q 8.36 4.72 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 7.04 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 133 L 8.97 3.98 0.00 1.57 1.40 0.59 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 134 F 7.70 5.48 0.00 2.62 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 0.00 135 T 9.22 5.10 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 0.83 0.00 0.00 136 A 9.26 5.13 1.03 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 0.00 0.00 137 Y 8.60 4.99 0.00 2.28 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 0.00 138 C 8.93 5.36 0.00 3.03 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 0.00 139 N 8.94 5.07 0.00 2.75 2.82 0.00 0.00 6.43 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 0.00 140 V 8.50 3.51 2.10 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 1.00 0.00 0.00 1.03 0.00 0.00 141 E 8.29 3.99 0.00 2.03 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 2.33 2.36 0.00 142 D 8.26 4.64 0.00 2.73 2.69 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 0.00 143 A 7.60 3.90 1.35 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 0.00 0.00 144 E 7.96 4.04 0.00 1.83 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 2.33 2.28 0.00 145 H 8.11 4.33 0.00 3.21 3.15 0.00 5.62 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 V 7.43 3.24 1.71 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 0.67 0.00 0.00 0.07 0.00 0.00 147 K 7.66 3.92 0.00 1.89 1.87 0.00 1.79 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.61 7.81 148 E 7.78 3.90 0.00 2.10 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 2.20 2.09 0.00 149 A 7.73 3.85 1.21 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 0.00 150 F 7.90 4.40 0.00 3.16 2.98 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 0.00 151 R 7.59 2.57 0.00 1.79 1.86 0.00 3.25 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.67 0.00 152 R 7.62 3.86 0.00 1.95 1.84 0.00 3.01 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.67 0.00 153 A 7.78 4.02 1.36 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 0.00 154 Y 7.81 4.45 0.00 2.95 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 N 7.80 4.86 0.00 2.89 2.94 0.00 0.00 6.79 8.94 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 0.00 156 K 7.67 4.64 0.00 1.77 1.81 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.34 7.81 157 I 7.45 4.76 1.89 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 1.51 0.71 0.96 0.00 0.00 158 T 8.87 3.99 4.25 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 1.22 0.00 0.00 159 P 0.00 4.55 0.00 2.04 2.05 0.00 3.64 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 160 S 8.40 4.53 0.00 3.77 3.74 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 0.00 161 C 7.98 5.39 0.00 2.75 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 0.00 162 R 8.84 4.59 0.00 1.71 1.79 0.00 3.10 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.53 0.00 163 I 8.57 4.71 2.01 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.79 1.14 0.00 0.00 164 D 9.03 4.84 0.00 2.72 2.54 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 0.00 0.00 0.00 0.00 165 S 8.73 4.41 0.00 3.95 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 0.00 166 S 9.42 4.25 0.00 3.93 3.71 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 0.00 167 P 0.00 4.39 0.00 2.16 2.08 0.00 3.86 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.16 0.00 168 A 8.12 5.25 1.26 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 0.00 0.00 0.00 169 G 8.39 4.03 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 0.00 0.00 0.00 170 N 7.90 4.67 0.00 2.74 2.81 0.00 0.00 6.91 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 0.00 171 A 7.58 4.33 1.22 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.