NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 24 R 4.4133 8.2431 120.9978 56.7854 31.3478 174.0712 25 G 4.2312 8.6211 107.8521 42.8516 0.0000 170.8008 26 L 4.9239 9.0759 123.8214 54.7423 45.3804 172.6254 27 T 5.1011 8.4599 114.7246 61.8323 71.4693 173.7717 28 I 4.5134 9.1798 128.2541 59.4904 39.4716 174.6740 29 W 5.1658 8.8912 135.0000 54.9407 31.8625 174.7282 30 L 5.0426 8.0100 128.1033 54.1492 42.6766 176.5846 31 T 5.0077 8.3425 116.7506 59.0900 71.2362 173.0045 32 G 4.2409 8.3301 115.1827 45.8558 0.0000 172.2504 33 L 4.2752 8.0627 120.6378 54.2025 42.2122 177.4442 34 S 4.1665 8.2395 114.4648 59.4387 63.6399 174.0482 35 A 3.8097 8.7581 124.4664 53.0346 15.5941 178.8482 36 S 4.2904 7.9633 113.5660 60.2614 63.9726 175.1442 37 G 4.0402 8.3677 110.0373 45.5707 0.0000 175.3895 38 K 3.7516 8.0209 119.0415 59.6220 31.9100 178.7653 39 S 4.0100 7.9190 114.3818 62.0783 62.7916 177.1246 40 T 3.7744 7.7273 117.6741 66.6099 68.2134 176.3690 41 L 3.9124 7.8658 120.5694 58.1120 41.5473 178.8914 42 A 4.0372 8.3567 120.8758 54.8206 18.2125 179.4716 43 V 3.3968 7.8482 115.1785 66.2907 31.6507 178.3540 44 E 4.0220 8.1693 118.3187 58.6429 29.2143 178.3586 45 L 3.9610 8.3879 121.2985 57.7766 42.3864 178.2984 46 E 4.0227 8.4414 119.7031 59.7018 29.2372 178.3816 47 H 4.1562 8.3161 118.1865 58.8890 29.6978 176.2356 48 Q 3.9216 7.7400 118.9979 57.1666 29.4119 176.9192 49 L 4.3403 7.8888 119.8058 57.4314 41.9472 178.2128 50 V 4.1006 7.4265 108.7789 61.3463 31.6672 176.3000 51 R 4.3406 7.3857 121.4443 57.0769 31.0175 176.4132 52 D 4.9280 7.9292 112.6802 53.7134 42.8508 175.8872 53 R 4.4672 7.8752 116.9155 55.2682 33.8987 175.6401 *54 R 3.6444 7.5297 114.5065 56.9647 26.6658 180.7105 55 V 4.3913 7.1184 119.3700 61.4181 34.2498 174.8451 56 H 4.6090 8.5220 120.1078 55.9807 30.0421 174.4164 57 A 4.8792 8.3952 121.9957 50.9837 22.1340 174.7810 58 Y 4.7845 8.8297 122.6653 55.8875 42.8626 174.5064 59 R 4.5375 6.1873 121.7080 54.9582 33.0177 173.7018 60 L 4.5976 8.7264 127.3578 53.0866 44.3335 174.8472 61 D 3.3700 8.0430 125.2537 50.9245 41.2993 175.7422 62 G 3.8396 7.7155 103.2134 48.7142 0.0000 175.2831 63 D 4.0888 7.8001 120.4240 57.1409 40.8011 178.2090 64 N 4.5043 8.1031 114.9368 56.1135 38.8352 176.2803 65 I 4.3581 7.7913 119.6170 63.2886 38.4407 178.1980 66 R 4.4131 8.3910 118.1036 58.0077 29.8600 177.8879 67 F 4.9370 7.8121 115.6391 55.6234 39.6840 175.9965 68 G 3.8680 8.2690 104.6087 45.2388 0.0000 173.7697 69 L 4.0738 9.5901 121.3059 57.7602 43.1939 176.7062 70 N 5.0238 8.5094 115.8859 52.4779 38.7748 176.0173 71 K 4.5733 8.1800 118.8595 57.0842 33.2065 176.3212 72 D 4.6409 7.9926 115.8062 53.3181 39.9257 175.6327 73 L 4.8783 7.3623 119.5624 53.1702 44.4503 176.3320 74 G 4.1477 9.3645 117.5665 46.0066 0.0000 174.4450 75 F 4.6826 8.7526 124.4731 56.6488 40.2427 175.7188 76 S 4.5109 7.9287 116.9493 57.6869 64.8848 174.4277 77 E 4.0118 8.7655 122.0429 59.6884 29.3080 178.7395 78 A 4.1801 7.8474 121.4134 54.7818 18.4600 179.1928 79 D 4.2785 7.9525 117.5444 57.4248 40.8487 179.2027 80 R 4.0218 8.3139 118.8979 58.9360 29.5229 178.6079 81 N 4.7945 8.3297 117.9634 55.8359 38.5286 176.9873 82 E 3.8918 8.3117 120.4692 59.2423 29.6409 177.9276 83 N 4.3785 8.3783 118.8105 56.3808 38.8907 176.7510 84 I 3.9108 7.8037 120.6904 63.8725 37.2874 178.1451 85 R 3.9006 8.1856 120.0918 59.7180 29.8930 178.7555 86 R 3.9580 8.2577 117.8320 59.4862 30.1157 179.2861 87 I 3.8532 7.6723 119.1934 64.1119 36.9883 178.4264 88 A 4.4560 8.4091 122.0382 55.2980 18.3561 179.5691 89 E 4.0107 8.1606 116.7474 59.4205 29.4495 179.5450 90 V 3.9963 8.0799 111.4408 63.0659 31.8347 178.5035 91 A 4.2934 8.2522 121.4033 55.0030 18.2421 179.2733 92 K 3.7891 8.3695 118.2507 59.8847 32.2424 178.6978 93 L 3.9511 7.8328 118.5915 58.0784 41.5303 179.5974 94 F 4.1661 8.1971 117.3127 60.0398 38.8760 177.9361 95 A 4.8890 8.3017 122.0291 54.6628 18.0078 178.7721 96 D 4.4075 8.2293 116.2238 57.7539 41.2642 178.6508 97 S 4.3598 7.4970 109.1606 58.3689 62.8240 173.5057 98 N 4.2698 8.2100 118.0948 54.9225 36.3650 173.8906 99 S 4.8151 8.0217 112.7551 57.0339 65.9315 172.3213 100 I 4.9323 7.9149 121.7175 59.4927 38.7270 175.2405 101 A 4.7217 8.8366 130.1979 51.4370 20.1994 176.1535 102 I 4.6010 8.5970 123.6588 59.6721 39.5037 175.2198 103 T 4.5138 8.3262 117.8053 59.6635 70.8240 175.2254 104 S 4.3067 7.0468 115.4279 57.2002 61.3185 173.3469 105 F 4.6948 7.4402 118.7596 55.6108 41.7412 178.2211 106 I 4.3977 9.2606 122.0934 63.1549 37.8356 176.2743 107 S 4.0854 8.0800 111.6069 59.1793 61.3991 169.7482 108 P 4.2648 0.0000 0.0000 64.8419 32.5946 176.2039 109 Y 4.8195 7.6012 117.8498 56.6251 38.1749 175.7279 110 R 3.8859 9.5048 129.5636 60.1584 30.0501 179.0018 111 K 3.9234 8.1097 122.7561 60.0651 31.6306 180.6429 112 D 4.5615 8.1980 119.6904 57.1484 40.8375 179.1169 113 R 3.5718 7.8204 118.2345 58.9832 30.1992 178.5737 114 D 4.1589 7.9900 118.8816 57.3945 40.6425 178.9029 115 T 3.7866 7.7432 116.2230 66.2411 68.1442 176.7844 116 A 3.7968 7.5240 122.7460 54.7684 18.2890 179.5300 117 R 2.5100 6.8619 119.4205 59.8037 29.6708 179.5244 118 Q 4.0247 7.6421 119.9304 59.4023 27.8069 179.6837 119 L 4.1111 7.2199 118.3550 58.7841 40.8514 178.4499 120 H 4.4256 7.6536 116.6118 58.0652 28.9509 176.5044 121 E 4.4113 7.9557 117.8709 57.0575 29.7895 178.5226 122 V 3.7118 7.1952 115.2025 64.5701 33.0632 177.4603 *129 T 4.0895 7.5332 108.6000 59.3827 69.3684 175.7315 130 G 4.0785 9.3073 110.9137 46.0520 0.0000 171.5713 131 L 4.2655 7.7905 117.4897 52.9694 45.7512 173.1055 132 P 4.5042 0.0000 0.0000 62.5779 32.8180 175.5034 133 F 4.6940 8.7234 124.0553 56.6919 41.8173 174.5068 134 V 4.1394 8.3091 128.4207 61.2311 32.7852 174.0856 135 E 4.7832 9.0504 130.8749 55.3533 31.0574 175.0502 136 V 4.7001 9.0579 128.3306 61.2794 33.8877 174.1732 137 Y 4.6983 9.0333 131.3670 57.0761 39.2392 174.8740 138 V 4.0260 8.5914 128.5891 62.5930 31.7576 174.5056 139 D 4.2673 9.1770 129.5647 52.4706 42.3544 175.4776 140 V 4.9772 8.0401 118.1781 58.6567 36.0020 174.0661 141 P 4.3378 0.0000 0.0000 62.1327 32.0778 178.1545 142 V 3.6046 8.4427 121.1801 64.6493 31.3908 177.9848 143 E 3.9944 7.9078 119.2450 58.3473 30.2432 178.9741 144 V 3.4446 7.7979 118.4704 65.7212 31.4887 177.6084 145 A 3.8789 7.8169 120.0478 55.3803 17.8859 179.1183 146 E 3.0183 7.3530 116.2092 59.0672 29.7567 178.5084 147 Q 4.0437 7.5317 117.8189 59.0967 29.1304 177.1280 148 R 3.9787 7.8179 119.6505 54.5746 31.5306 175.7958 149 D 4.5078 8.8312 116.1337 54.9657 40.2299 173.3837 150 P 4.3311 0.0000 0.0000 64.8495 32.0653 177.9602 151 K 4.4458 7.7906 114.0296 55.4677 33.7156 176.4640 152 G 3.9231 8.1329 107.2933 46.6271 0.0000 176.1711 153 L 3.7603 7.7715 122.2077 57.4613 41.4176 178.8817 154 Y 3.5321 8.2355 116.8684 60.6939 37.6363 178.3420 155 K 3.9669 8.3050 120.6514 59.3185 32.2878 179.1365 156 K 3.9033 7.8457 118.3622 59.1591 31.3813 179.2375 157 A 4.0325 7.9571 121.6274 54.9912 17.9895 179.8316 158 R 3.9204 8.0956 116.2778 59.0126 30.2056 178.2626 159 E 4.3717 7.6685 116.2517 56.3308 30.0416 177.2134 160 G 3.9880 7.4733 106.2269 45.0416 0.0000 174.7671 161 V 3.6856 7.7118 120.0855 64.7064 31.7428 176.2892 162 I 4.4422 7.4441 119.4485 59.2727 38.9693 175.0312 163 K 4.4351 8.5074 124.0239 55.9391 34.1914 175.9061 164 E 4.3399 8.4883 117.9058 56.4094 26.8686 174.8924 165 F 4.4242 8.4946 121.2911 56.4584 40.9561 174.8546 166 T 4.0424 7.6803 124.4987 65.6271 68.4723 174.3697 167 G 4.1764 9.5734 115.5988 45.4011 0.0000 173.5476 168 I 4.5131 7.9432 117.4479 62.6085 39.4524 177.2747 169 S 4.9439 8.6861 113.8922 57.4484 64.3639 172.8868 170 A 4.8649 7.8937 119.1639 51.4023 22.3124 174.7155 171 P 4.7208 0.0000 0.0000 62.4152 32.5963 175.2873 172 Y 4.4692 8.5325 123.9517 55.9799 40.7863 175.0337 173 E 4.1253 7.9377 127.3717 54.0542 29.2585 175.7155 174 A 3.5924 7.8452 126.8540 50.6470 19.1681 175.5217 175 P 4.1536 0.0000 0.0000 62.8020 32.0486 176.4386 176 A 4.2175 8.5673 125.0402 54.3996 19.2753 177.5417 177 N 5.0312 7.6089 111.3581 50.9572 38.8338 171.7832 178 P 4.5857 0.0000 0.0000 61.6664 32.8176 176.6308 179 E 4.0073 8.7860 121.7118 59.2501 30.1353 177.8376 180 V 4.2459 7.8357 118.4426 61.5112 35.2814 173.6429 181 H 5.0296 9.0068 127.9130 54.4292 30.8321 171.8846 182 V 3.9271 8.6486 125.4984 61.4569 32.6522 175.1256 183 K 4.4126 8.4540 128.8999 54.9501 30.6147 176.8501 184 N 4.7298 8.2901 130.7053 52.0863 36.7448 173.9920 185 Y 4.7852 6.3434 116.1873 56.5610 41.9710 175.2318 186 E 3.8253 9.0014 119.9390 56.7707 27.3108 174.9272 187 L 4.5352 7.3327 117.0576 51.9550 45.7984 173.4963 188 P 4.4104 0.0000 0.0000 62.2655 32.5602 177.7649 189 V 3.5704 8.6534 124.9033 66.8841 31.4029 178.7962 190 Q 4.0258 8.0935 122.3789 61.0402 27.9997 182.1305 191 D 4.6294 8.0323 121.2656 57.7356 40.0935 180.2081 192 A 4.2523 7.8735 120.5527 55.6735 18.4425 180.0214 193 V 3.6804 8.3268 119.1210 65.9524 31.1553 178.0698 194 K 4.3044 7.8869 122.0119 57.5524 31.6520 182.7498 195 Q 4.3252 7.8228 118.3970 59.3117 29.5036 177.5632 196 I 3.9697 7.4886 120.5541 64.4036 37.3738 177.6588 197 I 3.7723 8.1874 123.3060 65.6145 36.8271 178.5330 198 D 4.4314 7.6570 120.0219 59.0594 39.6418 180.2300 199 Y 4.3405 8.0338 119.4583 60.4791 38.9171 177.6182 200 L 4.1982 8.4403 120.7006 57.6372 41.5937 178.4130 201 D 4.6341 7.8636 115.5863 53.8978 40.1689 178.1524 202 T 3.4710 7.1999 116.9593 65.7721 68.4871 174.9342 203 K 3.9725 6.7197 118.4708 55.5491 33.4608 177.1276 204 G 3.9258 7.6846 106.0368 45.5204 0.0000 174.2103 205 Y 4.4610 7.0993 115.5360 58.4666 38.1879 175.3080 206 L 4.8119 7.1716 119.8034 52.1067 44.3368 173.9246 207 P 4.3787 0.0000 0.0000 63.2648 32.3805 175.6961 208 A 4.1510 8.3498 125.1859 52.3441 18.6219 175.7938 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 24 R 8.24 4.41 0.00 1.61 1.79 0.00 3.19 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.22 0.00 25 G 8.62 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 0.00 0.00 0.00 0.00 26 L 9.08 4.92 0.00 1.58 1.47 0.74 0.38 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 27 T 8.46 5.10 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 1.17 0.00 0.00 28 I 9.18 4.51 1.82 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 1.09 0.95 0.87 0.00 0.00 29 W 8.89 5.17 0.00 2.90 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 30 L 8.01 5.04 0.00 1.48 1.51 0.79 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 31 T 8.34 5.01 4.69 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 1.51 0.00 0.00 32 G 8.33 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 0.00 0.00 0.00 0.00 33 L 8.06 4.28 0.00 1.58 1.67 0.95 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.24 4.17 0.00 4.00 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 35 A 8.76 3.81 1.54 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 0.00 0.00 36 S 7.96 4.29 0.00 3.95 3.99 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 37 G 8.37 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 38 K 8.02 3.75 0.00 1.68 1.71 0.00 1.62 0.00 0.00 1.90 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.49 7.81 39 S 7.92 4.01 0.00 3.75 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 40 T 7.73 3.77 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 41 L 7.87 3.91 0.00 1.85 1.66 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.36 4.04 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.85 3.40 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 0.91 0.00 0.00 0.88 0.00 0.00 44 E 8.17 4.02 0.00 2.20 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 2.28 2.34 0.00 45 L 8.39 3.96 0.00 1.74 1.72 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.44 4.02 0.00 1.99 2.15 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 2.30 2.29 0.00 47 H 8.32 4.16 0.00 3.40 3.29 0.00 5.82 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 48 Q 7.74 3.92 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.65 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 49 L 7.89 4.34 0.00 2.01 1.69 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.43 4.10 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 0.64 0.00 0.00 0.98 0.00 0.00 51 R 7.39 4.34 0.00 1.65 1.90 0.00 3.17 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 52 D 7.93 4.93 0.00 2.62 2.61 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 53 R 7.88 4.47 0.00 1.80 1.91 0.00 3.68 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 *54 R 7.53 3.64 0.00 1.96 1.77 0.00 3.25 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.41 0.00 55 V 7.12 4.39 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 1.03 0.00 0.00 0.97 0.00 0.00 56 H 8.52 4.61 0.00 3.17 3.29 0.00 5.67 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 57 A 8.40 4.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 Y 8.83 4.78 0.00 2.85 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 6.19 4.54 0.00 1.51 1.23 0.00 3.06 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.41 0.00 60 L 8.73 4.60 0.00 1.59 1.66 1.06 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.04 3.37 0.00 2.17 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 0.00 0.00 0.00 0.00 62 G 7.72 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.80 4.09 0.00 2.64 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 N 8.10 4.50 0.00 2.88 3.00 0.00 0.00 6.79 7.45 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 65 I 7.79 4.36 2.36 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.73 0.90 0.00 0.00 66 R 8.39 4.41 0.00 2.20 2.16 0.00 3.29 0.00 0.00 3.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 67 F 7.81 4.94 0.00 3.15 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 76 S 7.93 4.51 0.00 4.09 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.77 4.01 0.00 2.11 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 0.00 2.26 1.96 0.00 78 A 7.85 4.18 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 79 D 7.95 4.28 0.00 2.84 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 80 R 8.31 4.02 0.00 2.20 2.14 0.00 3.57 0.00 0.00 3.46 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.02 0.00 81 N 8.33 4.79 0.00 2.94 2.82 0.00 0.00 6.36 8.02 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 82 E 8.31 3.89 0.00 2.05 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 2.28 2.33 0.00 83 N 8.38 4.38 0.00 2.75 2.92 0.00 0.00 6.78 7.73 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 84 I 7.80 3.91 2.15 0.00 0.00 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2.04 1.86 0.00 3.45 0.00 0.00 3.22 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 149 D 8.83 4.51 0.00 3.07 2.61 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 0.00 150 P 0.00 4.33 0.00 2.09 2.11 0.00 3.75 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 2.05 2.12 0.00 151 K 7.79 4.45 0.00 1.69 1.76 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.32 1.40 7.81 152 G 8.13 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 0.00 0.00 0.00 0.00 153 L 7.77 3.76 0.00 1.56 1.09 0.89 0.92 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 0.00 154 Y 8.24 3.53 0.00 3.41 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 0.00 155 K 8.30 3.97 0.00 1.83 1.90 0.00 1.61 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.49 7.81 156 K 7.85 3.90 0.00 1.82 1.70 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.50 7.81 157 A 7.96 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 R 8.10 3.92 0.00 1.94 2.00 0.00 3.33 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.82 0.00 159 E 7.67 4.37 0.00 1.86 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 0.00 2.27 2.40 0.00 160 G 7.47 3.99 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 0.00 0.00 0.00 161 V 7.71 3.69 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 0.76 0.00 0.00 0.90 0.00 0.00 162 I 7.44 4.44 1.71 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 1.36 0.66 0.98 0.00 0.00 163 K 8.51 4.44 0.00 1.77 1.77 0.00 1.92 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.46 7.81 164 E 8.49 4.34 0.00 2.17 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 2.30 2.30 0.00 165 F 8.49 4.42 0.00 2.92 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 0.00 166 T 7.68 4.04 3.84 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 0.00 0.00 1.21 0.00 0.00 167 G 9.57 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 0.00 168 I 7.94 4.51 2.10 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.23 0.98 0.00 0.00 169 S 8.69 4.94 0.00 3.84 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 0.00 170 A 7.89 4.86 1.24 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 0.00 0.00 171 P 0.00 4.72 0.00 1.86 2.00 0.00 3.59 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 2.17 2.16 0.00 172 Y 8.53 4.47 0.00 2.95 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 0.00 173 E 7.94 4.13 0.00 1.89 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.09 0.00 174 A 7.85 3.59 1.12 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 0.00 175 P 0.00 4.15 0.00 2.09 2.14 0.00 2.60 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.66 0.00 176 A 8.57 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 177 N 7.61 5.03 0.00 2.68 2.75 0.00 0.00 6.93 8.02 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 0.00 178 P 0.00 4.59 0.00 2.13 2.11 0.00 3.76 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 2.13 2.11 0.00 179 E 8.79 4.01 0.00 1.60 1.16 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 2.40 2.44 0.00 180 V 7.84 4.25 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 0.99 0.00 0.00 0.55 0.00 0.00 181 H 9.01 5.03 0.00 3.24 3.18 0.00 5.77 0.00 0.00 0.00 0.00 6.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 V 8.65 3.93 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 0.81 0.00 0.00 0.91 0.00 0.00 183 K 8.45 4.41 0.00 1.34 1.02 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.42 1.26 7.81 184 N 8.29 4.73 0.00 2.66 2.72 0.00 0.00 6.86 7.15 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 0.00 185 Y 6.34 4.79 0.00 3.02 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 0.00 186 E 9.00 3.83 0.00 2.16 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 2.36 0.00 187 L 7.33 4.54 0.00 1.56 1.36 0.85 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 188 P 0.00 4.41 0.00 2.17 1.94 0.00 3.65 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 2.08 2.10 0.00 189 V 8.65 3.57 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 1.07 0.00 0.00 0.90 0.00 0.00 190 Q 8.09 4.03 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.67 0.00 0.00 0.00 0.00 0.00 2.36 1.99 0.00 191 D 8.03 4.63 0.00 2.77 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 0.00 192 A 7.87 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 0.00 193 V 8.33 3.68 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 1.09 0.00 0.00 0.93 0.00 0.00 194 K 7.89 4.30 0.00 1.82 1.78 0.00 1.85 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.33 1.30 7.81 195 Q 7.82 4.33 0.00 2.19 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 196 I 7.49 3.97 2.06 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.18 0.96 0.00 0.00 197 I 8.19 3.77 1.90 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 1.54 1.00 0.93 0.00 0.00 198 D 7.66 4.43 0.00 2.78 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 0.00 199 Y 8.03 4.34 0.00 3.13 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 L 8.44 4.20 0.00 2.06 1.87 1.03 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 201 D 7.86 4.63 0.00 2.83 2.86 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 0.00 202 T 7.20 3.47 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 203 K 6.72 3.97 0.00 0.97 0.90 0.00 1.48 0.00 0.00 1.61 0.00 0.00 3.16 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.75 1.28 7.81 204 G 7.68 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 0.00 205 Y 7.10 4.46 0.00 3.10 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 0.00 206 L 7.17 4.81 0.00 1.46 1.58 1.03 1.04 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 0.00 207 P 0.00 4.38 0.00 2.18 2.08 0.00 3.82 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 1.95 1.97 0.00 208 A 8.35 4.15 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.