NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.8932 8.3549 109.7339 45.2310 0.0000 173.5574 0 H 4.1921 8.5617 119.1573 54.7383 29.4415 173.5536 2 L 4.3143 7.9458 120.8191 53.9929 43.4213 177.8334 3 S 4.2893 8.4337 116.8092 58.6328 64.6776 175.7858 4 K 4.0254 8.4439 122.1935 59.4587 31.7705 179.5916 5 R 3.6706 7.4391 118.4700 59.5994 29.9797 178.2248 6 D 4.3546 8.1400 118.3803 57.1519 40.7671 178.6050 7 A 3.9624 8.5393 121.7252 55.2386 18.3079 179.8184 8 I 3.6540 8.0145 118.4346 64.4477 37.1152 178.6425 9 L 3.7691 8.2478 120.2792 57.4501 41.4121 179.3849 10 K 3.7458 8.2713 119.5995 59.6143 32.0956 178.7059 11 A 4.0759 7.8713 120.6196 54.9210 18.1639 179.5113 12 A 3.4869 8.0302 119.7113 55.0766 18.4719 179.7886 13 V 2.6701 7.5886 117.0022 66.0064 31.5518 177.8970 14 E 3.9184 7.9493 117.9630 59.5188 29.3382 179.6440 15 V 3.5426 7.9765 118.2380 66.1621 31.6240 178.0260 16 F 4.8219 8.4750 118.1279 60.8433 38.5726 177.9440 17 G 3.8247 8.4005 104.5252 47.7307 0.0000 175.5365 18 K 4.2895 7.9434 119.6127 58.0988 32.3928 178.5152 19 K 4.5929 8.3977 115.6540 54.3603 34.1544 177.2989 20 G 4.1796 8.2889 105.7571 45.0728 0.0000 174.2788 21 Y 4.2580 8.2790 117.9783 60.9027 38.9639 177.8960 22 D 4.1785 8.2765 117.6846 57.4930 41.1165 178.1559 23 R 4.0007 8.0389 116.0930 58.7726 30.3764 177.4709 24 A 4.2762 7.7193 119.7347 52.6032 19.1062 177.1395 25 T 4.6806 8.6213 112.1021 59.7831 72.3893 175.9378 26 T 3.8680 8.4244 114.0515 65.1505 68.7090 176.4173 27 D 4.3749 8.0737 121.5225 57.1055 40.8119 178.2915 28 E 3.9815 8.1880 117.9652 59.0512 29.6976 179.1826 29 I 3.5390 7.6922 120.6925 64.1380 37.1772 178.1660 30 A 4.0535 8.4496 124.3451 55.8170 18.1180 180.0318 31 E 3.9429 8.3755 117.0603 61.3232 29.5378 181.1520 32 K 4.1402 8.1810 119.7675 59.0800 32.3487 178.3441 33 A 4.2186 8.1509 119.6838 52.2557 18.6101 177.4030 34 G 3.8153 7.7611 104.9561 46.9463 0.0000 173.9944 35 V 4.5154 7.5829 110.7593 58.3989 35.2651 176.0023 36 A 4.1996 8.3392 124.5568 52.0511 18.9468 178.9786 37 K 4.0806 8.9167 120.8189 59.6937 32.2084 179.9221 38 G 3.7395 8.1130 104.8702 47.0428 0.0000 175.0222 39 L 4.1439 8.2183 122.5341 57.5871 42.0207 178.9381 40 I 4.0381 7.6874 120.2517 64.3475 37.0867 177.8248 41 F 4.1623 8.4003 121.0699 61.6178 38.9947 176.2053 42 H 3.8314 7.8989 116.2097 59.5019 29.6559 176.0707 43 Y 4.2250 7.5783 115.9837 58.8183 38.2951 176.2908 44 F 4.8104 8.0267 114.7477 55.9804 41.1099 174.8803 45 K 3.9192 8.7699 126.9843 56.8034 32.1591 175.6767 46 N 5.1343 7.5077 113.1586 50.4956 41.4639 174.7098 47 K 4.1838 8.7959 120.5558 59.6100 32.0810 178.1022 48 E 4.3280 8.4009 120.5175 58.9780 29.6972 178.3040 49 E 4.1197 9.2457 119.8242 59.0527 29.5765 178.5496 50 L 3.8313 8.3527 120.5766 58.2825 41.7116 178.1884 51 Y 4.0967 8.5936 119.6796 60.8790 38.4313 177.4449 52 Y 4.1771 8.3114 119.2181 61.0766 39.0576 177.8541 53 Q 4.1826 8.6207 117.6184 58.9225 29.1422 178.4437 54 A 4.0820 8.3331 122.1135 55.0326 18.3529 179.5883 55 Y 3.9137 8.1131 115.8340 58.2496 38.5016 177.6412 *57 S 4.3159 8.0110 114.2797 57.8521 64.5087 175.9365 58 V 3.5839 7.8911 119.5016 66.2758 31.2760 178.0803 59 T 3.8380 7.8496 109.5397 64.7469 68.3982 175.8700 60 E 3.9631 8.1291 121.6195 58.9773 29.7196 178.7707 61 K 3.9789 7.8339 118.5619 59.5640 32.0880 179.3328 62 L 3.8035 7.8274 119.1829 57.7319 41.4552 179.3406 63 Q 4.0761 8.7352 119.8761 59.0977 28.9649 178.4612 64 K 3.9848 8.1470 119.5363 59.5070 32.1133 178.9616 65 E 4.0418 8.1663 118.7310 59.5392 29.4285 179.3252 66 F 3.4185 8.5868 120.6471 61.2270 39.2321 177.0405 67 E 3.7711 8.3852 117.3633 59.2781 29.2385 178.8524 68 N 4.3931 7.8592 115.9833 56.1090 38.7569 176.9613 69 F 4.0593 7.8939 122.0790 60.7972 39.5692 178.1090 70 L 3.8003 7.3072 118.9687 55.0601 41.6151 178.2805 *72 K 4.1283 8.0636 119.0694 55.3228 33.9431 175.5329 73 N 4.8177 7.3035 113.1714 52.3205 40.0999 175.8066 74 R 4.0010 7.8054 119.4344 59.5827 30.0727 177.1107 75 N 4.6475 8.0626 112.3471 54.3170 39.0236 175.5692 76 R 4.2047 7.9085 117.7356 55.4251 31.0324 175.9305 77 D 4.4345 8.7554 119.3225 54.8064 41.6670 177.5030 78 I 3.7692 8.4563 125.9326 64.2031 38.2888 177.0932 79 F 4.3108 8.3908 117.8316 60.5431 39.3263 176.0081 80 D 4.5664 8.9207 120.3128 57.5026 41.1940 178.1831 81 F 4.3111 8.9714 117.8281 59.7023 39.5419 175.8084 *83 E 4.3616 8.2374 121.2716 56.2530 31.4036 178.0932 84 R 4.0713 8.3595 117.8057 58.8580 29.9756 178.8856 85 W 3.6051 8.5340 128.6124 60.2819 30.5725 177.9785 86 I 3.6067 7.9450 119.3126 64.4670 36.5594 177.8816 87 E 3.8759 8.0854 119.1897 59.4224 29.2620 179.6714 88 K 3.8966 7.6788 117.8603 59.3620 32.0223 179.5767 89 K 3.6087 7.5310 118.9913 59.1802 31.8617 179.2235 90 L 3.6594 8.0710 121.9470 58.5025 41.3999 180.1675 91 E 3.9376 8.0992 117.9955 61.1852 29.6343 180.3259 92 Y 4.1564 8.3651 120.9898 60.7449 38.6700 178.3360 93 S 4.2777 8.3322 115.0162 61.5616 63.0151 176.2395 94 A 4.0815 7.8946 123.0195 54.5832 18.1859 179.0351 95 S 4.3207 7.5982 110.7485 59.0761 65.0349 173.9943 96 H 4.8404 7.8562 119.6782 53.7377 29.0937 172.9713 97 P 4.4196 0.0000 0.0000 65.9826 31.6324 178.2359 98 E 4.0052 8.1134 117.9461 59.2970 29.4796 178.8835 99 E 4.0734 8.2386 117.9287 59.2658 29.2475 179.0752 100 A 4.0341 8.1644 120.7116 55.4631 18.3110 179.4159 101 D 4.4370 8.0646 115.9549 57.3999 41.1693 178.5780 102 F 4.5234 8.4507 121.1314 61.4651 39.1559 177.1518 103 L 3.5942 7.9540 118.5427 57.5917 41.1962 178.8137 104 I 3.9360 7.1961 115.0795 62.5316 38.3107 177.0574 105 T 4.1438 7.9658 109.9426 63.9652 68.7503 175.9849 106 L 3.8580 7.5130 125.2551 57.7768 41.7147 179.1594 107 V 3.5926 7.6935 111.1402 64.2348 31.5074 178.1553 108 S 4.2647 7.8339 113.5075 60.3562 63.1466 175.3651 109 V 3.7017 6.5341 114.9001 60.2971 32.0448 175.9559 110 D 4.6268 8.3040 123.8628 53.8828 41.2684 177.8294 111 E 4.0303 8.6701 119.6391 61.0334 29.6436 180.2801 112 G 3.7537 8.0202 105.8765 47.7478 0.0000 175.4624 113 L 3.8709 8.3703 123.6865 57.5783 42.0149 178.8562 114 R 3.6995 7.8985 118.7218 59.2557 29.9131 178.4529 115 K 3.8505 8.1400 119.4410 59.3131 32.2071 178.4774 116 R 3.8793 8.0438 119.1565 59.7469 29.9230 178.5009 117 I 3.7993 7.7940 119.1416 64.4886 36.8931 178.4809 118 L 3.9874 7.8470 118.6646 57.6479 41.5068 179.2715 119 L 4.1357 8.3130 119.3680 58.0491 41.4240 179.2638 120 D 4.4963 8.0429 116.8672 56.3568 41.1055 177.8793 121 L 4.3976 8.0375 118.5467 55.4685 41.9130 178.1844 122 E 3.8895 7.8267 120.4139 59.0465 29.3048 178.4744 123 K 3.9287 8.0111 118.3259 59.5825 32.5023 178.4018 124 S 4.3237 8.0295 113.9785 61.7626 62.9707 176.3273 125 Q 4.1107 8.4534 121.8424 58.3945 28.4450 178.6628 126 R 4.1456 8.3951 119.2685 58.5407 30.0881 179.1568 127 V 3.6701 7.6540 118.6526 66.0001 31.5700 177.7905 128 F 4.5330 8.1097 119.8077 61.2739 39.2756 176.3833 129 F 3.8004 8.0373 120.0270 61.6850 39.0839 176.9611 130 D 4.3202 8.7996 118.6420 57.0351 40.5007 178.5926 131 F 4.0845 8.1299 120.9546 61.2959 39.3847 177.3219 132 V 2.9910 7.4902 117.8369 65.7201 30.9697 177.8548 133 R 3.5333 7.3168 117.3605 59.3430 30.0207 177.8339 134 E 3.9394 8.1157 119.2031 59.1150 29.5260 178.9348 135 K 3.7270 7.7244 118.6201 59.0911 32.0544 179.2342 136 L 3.8595 7.8560 119.3095 57.3819 41.1833 179.5385 137 K 4.0058 7.4679 117.8998 58.9525 31.9938 177.9541 138 D 4.5497 7.9408 117.1162 53.6629 41.4455 175.8243 139 L 4.5232 7.0289 122.0020 53.6473 43.5204 176.3424 140 D 4.6434 8.2198 125.3940 52.8524 39.8139 175.2149 141 L 4.4012 7.8401 122.7261 53.2623 43.0958 177.0592 142 A 4.1435 8.5669 126.4706 52.9518 18.8738 179.4456 *143 E 4.0552 8.7491 115.9186 58.3876 29.9081 178.7802 144 D 4.7156 8.0213 114.4473 53.2906 40.0858 175.9466 145 V 4.2925 7.3161 120.5490 61.3811 32.8993 175.9686 146 T 4.2834 8.2489 118.0393 61.2574 71.1495 175.1914 147 E 3.9796 8.7498 121.8267 59.7147 29.3751 179.7356 148 E 3.9749 8.0719 118.0632 59.5344 29.6058 179.2373 149 I 3.7594 7.8635 119.6404 64.2013 37.0757 178.2696 150 A 4.1125 8.1384 121.6684 55.1285 18.0039 179.4248 151 L 3.7691 7.7996 117.4090 58.1142 42.2720 178.5884 152 K 4.1923 8.0635 118.2722 59.7155 32.3480 178.1480 153 F 5.0420 8.7768 121.0321 61.4132 39.3314 177.9362 154 L 4.4380 8.3507 116.7597 54.9876 41.2606 178.8524 *156 W 5.1418 7.9655 130.7321 57.6940 32.6535 176.9318 157 F 3.9787 8.9719 120.0879 61.2536 38.6266 176.8125 158 F 4.2852 8.8387 120.4101 61.5880 39.3694 177.3149 159 S 4.1171 8.5059 113.5898 61.1935 62.9774 176.4127 160 G 3.6378 8.7537 109.8725 47.4312 0.0000 175.4532 161 F 3.9016 8.1586 123.2824 60.8805 39.3221 176.7733 162 E 3.1549 7.6950 118.8874 59.0503 29.3814 178.3976 163 E 3.6906 7.8613 119.2396 59.0937 29.5854 178.8932 164 V 3.4479 7.8744 118.8715 66.1693 31.5608 177.6628 165 Y 4.1562 7.6359 117.5446 59.9253 37.6460 177.9270 166 L 3.9598 7.1039 120.2357 57.5024 41.4153 179.3874 167 R 4.0459 7.8504 118.0988 59.4197 29.8589 179.0990 168 T 3.7419 7.8514 114.5481 66.3922 68.6339 175.4646 169 Y 4.6414 7.8531 116.4862 56.4438 38.0480 175.0060 170 Q 4.2388 7.1316 121.0578 58.0019 29.2355 177.3316 171 G 4.0024 9.1233 112.5629 45.8704 0.0000 173.6378 172 K 4.7228 8.2737 118.5854 53.8098 32.5589 175.4821 173 P 4.3268 0.0000 0.0000 65.6865 31.8931 178.5373 174 E 3.9808 8.1511 118.1963 59.0947 29.3766 178.9965 175 L 4.0785 7.8814 118.9267 57.4312 41.6009 178.9300 176 L 2.8922 7.3697 119.3384 57.8009 42.0636 178.8158 177 K 4.0345 7.8798 119.5010 60.1832 32.0346 179.8526 178 R 4.1057 7.8498 119.8287 60.5157 30.8415 179.8678 179 D 4.7525 7.7531 121.4849 52.8422 37.7182 176.4830 *181 N 4.6396 7.7520 119.8036 53.5792 41.4676 177.5789 182 T 3.8737 7.8608 114.1985 66.5792 68.4867 176.5355 183 L 4.0754 8.1574 121.1434 57.9013 41.6905 179.7904 184 V 3.5577 7.7354 117.5979 66.0193 31.6533 177.5158 185 E 3.9708 8.2068 119.0355 59.1521 29.2153 178.6615 186 E 3.9880 8.2155 118.0096 59.3673 29.6647 178.9116 187 V 3.7704 7.8145 117.1794 66.1068 31.7949 177.6875 188 K 4.1279 8.0980 117.9283 59.4927 31.8352 180.2427 189 V 3.8592 7.4972 116.1401 63.3831 31.3669 177.6073 *191 L 3.9321 7.9410 118.9905 54.2462 43.8047 179.5239 192 R 3.6863 8.0109 117.5686 59.0826 29.8735 179.1257 193 I 3.5885 7.8956 119.8829 64.2850 36.8919 178.3938 194 L 3.7217 7.4586 117.8419 57.5087 41.5295 178.9733 195 K 3.2948 7.2993 118.2331 59.1196 32.0271 178.2467 196 K 4.0864 7.6452 118.4840 59.3073 32.1195 179.1638 197 G 3.7797 7.6876 103.3829 44.4610 0.0000 173.2031 *199 T 4.3005 7.2535 109.5936 60.5773 69.9661 173.8311 200 K 4.1414 8.6311 120.7106 56.8790 31.9497 177.2408 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 G 8.35 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 0 H 8.56 4.19 0.00 3.23 3.28 0.00 5.70 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 L 7.95 4.31 0.00 1.62 1.57 0.90 0.85 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 3 S 8.43 4.29 0.00 3.98 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 4 K 8.44 4.03 0.00 1.73 1.95 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.58 1.54 7.81 5 R 7.44 3.67 0.00 1.38 1.77 0.00 2.94 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.39 0.00 6 D 8.14 4.35 0.00 2.84 2.68 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 7 A 8.54 3.96 1.34 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 0.00 0.00 8 I 8.01 3.65 2.18 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.88 0.83 0.00 0.00 9 L 8.25 3.77 0.00 1.74 1.61 1.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.27 3.75 0.00 1.82 1.92 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.41 7.81 11 A 7.87 4.08 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 12 A 8.03 3.49 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 13 V 7.59 2.67 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 0.84 0.00 0.00 0.31 0.00 0.00 14 E 7.95 3.92 0.00 2.15 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 2.30 2.38 0.00 15 V 7.98 3.54 1.80 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 0.93 0.00 0.00 0.90 0.00 0.00 16 F 8.47 4.82 0.00 3.56 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.40 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 18 K 7.94 4.29 0.00 2.04 1.91 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.58 7.81 19 K 8.40 4.59 0.00 1.86 1.87 0.00 1.91 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.44 7.81 20 G 8.29 4.18 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 0.00 0.00 0.00 21 Y 8.28 4.26 0.00 2.58 2.80 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 22 D 8.28 4.18 0.00 2.71 2.68 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 23 R 8.04 4.00 0.00 2.06 2.02 0.00 3.25 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 1.64 1.64 0.00 24 A 7.72 4.28 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 25 T 8.62 4.68 4.23 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 1.20 0.00 0.00 26 T 8.42 3.87 4.30 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 1.30 0.00 0.00 27 D 8.07 4.37 0.00 2.78 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 28 E 8.19 3.98 0.00 2.20 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 0.00 2.47 2.28 0.00 29 I 7.69 3.54 1.90 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.43 0.76 0.00 0.00 30 A 8.45 4.05 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 31 E 8.38 3.94 0.00 1.98 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 2.25 2.20 0.00 32 K 8.18 4.14 0.00 1.81 1.94 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.42 7.81 33 A 8.15 4.22 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 34 G 7.76 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 35 V 7.58 4.52 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 0.85 0.00 0.00 1.05 0.00 0.00 36 A 8.34 4.20 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 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0.00 0.00 0.00 1.52 1.48 0.00 115 K 8.14 3.85 0.00 1.94 1.93 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.46 7.81 116 R 8.04 3.88 0.00 1.98 2.10 0.00 3.00 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 117 I 7.79 3.80 1.82 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 1.59 0.83 0.58 0.00 0.00 118 L 7.85 3.99 0.00 1.56 1.69 0.86 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 119 L 8.31 4.14 0.00 1.85 1.73 0.91 0.91 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 0.00 120 D 8.04 4.50 0.00 3.01 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 0.00 121 L 8.04 4.40 0.00 1.72 1.74 1.03 0.67 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 0.00 122 E 7.83 3.89 0.00 2.19 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 2.27 2.33 0.00 123 K 8.01 3.93 0.00 1.81 1.86 0.00 1.83 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.54 7.81 124 S 8.03 4.32 0.00 4.30 4.15 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 0.00 0.00 0.00 0.00 125 Q 8.45 4.11 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.83 0.00 0.00 0.00 0.00 0.00 2.45 2.63 0.00 126 R 8.40 4.15 0.00 2.07 2.06 0.00 3.12 0.00 0.00 2.93 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 127 V 7.65 3.67 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 1.21 0.00 0.00 1.07 0.00 0.00 128 F 8.11 4.53 0.00 2.22 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 0.00 129 F 8.04 3.80 0.00 3.11 3.17 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 0.00 130 D 8.80 4.32 0.00 2.85 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 0.00 131 F 8.13 4.08 0.00 3.21 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 0.00 132 V 7.49 2.99 1.62 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 0.64 0.00 0.00 0.15 0.00 0.00 133 R 7.32 3.53 0.00 1.41 1.86 0.00 3.19 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.44 0.00 134 E 8.12 3.94 0.00 2.01 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 2.23 2.27 0.00 135 K 7.72 3.73 0.00 1.39 1.47 0.00 1.47 0.00 0.00 1.33 0.00 0.00 2.81 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.53 0.39 7.81 136 L 7.86 3.86 0.00 1.67 1.62 0.78 0.46 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 0.00 137 K 7.47 4.01 0.00 1.70 1.82 0.00 1.63 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.64 7.81 138 D 7.94 4.55 0.00 2.69 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 0.00 139 L 7.03 4.52 0.00 1.70 1.61 1.09 1.30 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 0.00 140 D 8.22 4.64 0.00 2.79 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 0.00 141 L 7.84 4.40 0.00 1.69 1.60 0.99 0.91 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 0.00 142 A 8.57 4.14 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 *143 E 8.75 4.06 0.00 2.00 1.89 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 2.23 1.87 0.00 144 D 8.02 4.72 0.00 2.79 2.81 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 0.00 145 V 7.32 4.29 2.12 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 0.91 0.00 0.00 0.99 0.00 0.00 146 T 8.25 4.28 4.42 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 1.23 0.00 0.00 147 E 8.75 3.98 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 2.36 2.39 0.00 148 E 8.07 3.97 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 2.42 2.48 0.00 149 I 7.86 3.76 1.93 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 1.45 0.73 1.01 0.00 0.00 150 A 8.14 4.11 1.41 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 0.00 0.00 151 L 7.80 3.77 0.00 1.63 1.87 0.37 0.23 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 0.00 152 K 8.06 4.19 0.00 2.03 2.13 0.00 1.87 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.53 7.81 153 F 8.78 5.04 0.00 3.39 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 0.00 154 L 8.35 4.44 0.00 1.75 1.64 0.55 0.56 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 *156 W 7.97 5.14 0.00 3.58 3.76 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 0.00 157 F 8.97 3.98 0.00 3.16 3.32 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 0.00 158 F 8.84 4.29 0.00 3.58 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 0.00 159 S 8.51 4.12 0.00 4.21 4.39 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 0.00 160 G 8.75 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 0.00 161 F 8.16 3.90 0.00 2.60 2.89 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 0.00 162 E 7.70 3.15 0.00 1.63 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 1.89 1.85 0.00 163 E 7.86 3.69 0.00 2.13 1.86 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 2.22 2.24 0.00 164 V 7.87 3.45 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 0.97 0.00 0.00 0.93 0.00 0.00 165 Y 7.64 4.16 0.00 3.23 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 0.00 166 L 7.10 3.96 0.00 1.42 1.64 0.67 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 167 R 7.85 4.05 0.00 1.89 1.91 0.00 3.06 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 168 T 7.85 3.74 3.92 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 0.59 0.00 0.00 169 Y 7.85 4.64 0.00 3.25 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 0.00 170 Q 7.13 4.24 0.00 2.31 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.83 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 171 G 9.12 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 0.00 0.00 0.00 172 K 8.27 4.72 0.00 1.97 1.80 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.21 7.81 173 P 0.00 4.33 0.00 2.23 2.30 0.00 3.71 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 174 E 8.15 3.98 0.00 2.00 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 2.39 2.33 0.00 175 L 7.88 4.08 0.00 2.10 2.02 0.96 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 176 L 7.37 2.89 0.00 1.06 1.65 0.20 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 177 K 7.88 4.03 0.00 1.86 1.80 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.50 7.81 178 R 7.85 4.11 0.00 1.92 1.85 0.00 3.25 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 179 D 7.75 4.75 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 *181 N 7.75 4.64 0.00 2.84 2.89 0.00 0.00 7.00 7.05 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 0.00 182 T 7.86 3.87 4.42 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 1.25 0.00 0.00 183 L 8.16 4.08 0.00 1.66 1.86 0.76 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 184 V 7.74 3.56 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 1.07 0.00 0.00 0.89 0.00 0.00 185 E 8.21 3.97 0.00 2.15 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 2.32 2.41 0.00 186 E 8.22 3.99 0.00 2.25 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 0.00 2.40 2.57 0.00 187 V 7.81 3.77 2.16 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 0.76 0.00 0.00 0.35 0.00 0.00 188 K 8.10 4.13 0.00 2.04 1.86 0.00 1.88 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.62 7.81 189 V 7.50 3.86 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 1.11 0.00 0.00 1.00 0.00 0.00 *191 L 7.94 3.93 0.00 1.85 1.82 1.14 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 192 R 8.01 3.69 0.00 1.94 1.87 0.00 3.08 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.78 0.00 193 I 7.90 3.59 1.76 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.84 0.85 0.00 0.00 194 L 7.46 3.72 0.00 1.53 1.55 0.16 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 195 K 7.30 3.29 0.00 0.79 1.34 0.00 1.11 0.00 0.00 1.31 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.06 0.84 7.81 196 K 7.65 4.09 0.00 1.67 1.72 0.00 1.80 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.40 7.81 197 G 7.69 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 0.00 0.00 0.00 *199 T 7.25 4.30 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 0.00 200 K 8.63 4.14 0.00 2.18 1.76 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.47 1.26 7.81 * Residues marked with a * may have inaccurate shift predictions.