NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 T 4.3276 8.1749 115.2542 60.6395 69.5903 173.6243 -4 E 5.4565 8.0879 119.5152 54.8159 31.0488 174.5752 -3 F 4.9756 8.8661 122.9033 56.1677 42.0561 174.5453 -2 K 4.0190 7.1749 125.8162 53.9893 35.3221 175.8336 -1 A 4.1977 7.2504 125.4095 51.1295 19.9918 176.7375 -4 G 5.0665 7.9979 108.1152 43.3159 0.0000 172.8752 -3 S 4.8256 8.8761 118.3033 56.7677 66.2561 173.3453 -2 A 4.0190 7.1249 129.2162 50.2893 21.3221 177.0336 -1 K 4.1977 7.3004 122.0095 54.8295 33.9917 175.5375 5 K 4.1594 7.9990 119.7637 59.5643 32.3142 179.0728 6 G 3.6422 8.1166 105.2109 47.5160 0.0000 175.3098 7 A 2.0000 7.5985 122.8152 54.6420 18.4300 179.5091 8 T 3.9658 7.5813 107.3694 64.3089 69.1241 176.9641 9 L 4.0764 7.6887 122.1281 57.3511 41.4162 179.0374 10 F 3.9657 7.9881 120.7096 61.1776 39.1542 177.2611 11 K 4.1388 7.7073 116.6356 59.7942 32.0295 179.1528 12 T 4.1392 7.7387 107.7599 63.4771 69.0498 175.3634 13 R 4.5150 7.9601 117.8439 55.5133 32.6508 175.7793 14 C 4.2699 8.3997 115.1995 59.7922 30.2768 175.8577 15 L 4.1215 7.1049 120.3131 57.1024 41.7945 178.5287 16 Q 3.7552 7.9555 118.5836 58.7117 29.0752 176.2392 17 C 4.8945 8.0306 111.9585 59.4528 30.3396 173.4175 18 H 5.3054 8.0349 115.5903 54.7196 33.5601 172.4733 19 T 4.8987 8.6929 109.7320 60.3823 71.6600 174.7277 20 V 4.4437 8.3847 114.1522 61.5906 34.1342 176.5700 21 E 4.0896 7.8982 119.5465 55.6103 29.9404 175.9701 22 K 3.9093 8.2608 123.9932 57.8076 32.3719 177.2375 23 G 3.9446 8.9970 115.4959 45.0395 0.0000 173.4748 24 G 3.7681 7.6022 109.0437 44.4720 0.0000 172.0580 25 P 4.5741 0.0000 0.0000 61.6378 32.8765 175.2467 26 H 4.8590 8.2543 115.7543 55.4677 30.4864 175.5448 27 K 4.5466 8.9057 125.4104 55.2389 32.9588 178.2195 28 V 3.7206 9.0122 124.5449 66.9273 31.3745 176.3241 29 G 3.8844 7.9712 106.5405 43.8928 0.0000 171.2695 30 P 4.3246 0.0000 0.0000 61.4646 32.4918 175.6000 31 N 4.5702 9.1054 119.8305 54.0263 39.4651 174.4579 32 L 4.4559 9.0358 124.1187 54.5536 42.1423 175.9435 33 H 4.0304 8.1932 120.0322 57.3231 30.0527 175.2792 34 G 3.9260 8.8507 114.6526 46.3568 0.0000 174.4968 35 I 3.7413 7.2891 122.6310 63.4208 38.1276 176.5600 36 F 4.5177 7.8088 117.7876 58.3650 39.4612 174.5110 37 G 4.2783 10.5696 113.3237 45.6585 0.0000 174.4604 38 R 4.2178 7.5568 119.5296 56.5418 31.2939 175.5066 39 H 5.0160 8.5648 121.3969 54.0964 30.6543 175.1946 40 S 4.1781 8.2968 116.7591 59.1178 63.5889 173.9140 41 G 2.0890 7.5992 107.6275 46.8393 0.0000 174.3156 42 Q 4.5436 8.0230 114.3078 54.8249 30.5910 175.5851 43 A 4.4257 8.7551 123.1684 51.6614 19.2544 177.3907 44 E 4.3081 8.7981 122.3790 57.3075 30.3203 177.3505 45 G 3.9842 9.1057 110.3957 45.7202 0.0000 172.1246 46 Y 4.3629 7.4736 119.3432 55.3193 40.6773 175.2442 47 S 4.3683 7.1280 121.7065 56.8945 62.0660 172.4806 48 Y 4.7598 8.2408 125.3269 56.2789 39.1221 175.9400 49 T 4.1357 8.5217 113.0300 62.0110 69.5585 174.6719 50 D 4.4625 8.6635 120.2184 56.9755 40.4968 178.6978 51 A 3.9731 7.9657 120.3108 55.2212 18.8751 178.6554 52 N 4.3870 8.2845 115.1171 57.1065 38.5919 176.5432 53 I 3.5037 7.2781 119.5893 64.9418 37.1173 178.0471 54 K 4.1516 7.7735 116.5553 57.8546 32.1067 178.3633 55 K 3.8379 7.7829 120.3362 57.4051 32.5256 176.1051 56 N 3.9027 7.3428 115.1999 54.0125 38.0310 174.1575 57 V 3.4835 6.8886 117.2817 62.5237 33.0769 174.7034 58 L 4.5196 8.0405 129.7380 53.4840 42.8373 175.6889 59 W 4.9905 9.5152 129.3485 56.3359 30.2316 175.3879 60 D 5.3275 8.9493 123.8182 50.5570 42.1379 176.1613 61 E 3.9406 8.9556 118.5239 60.0570 29.2160 179.2691 62 N 4.6085 8.2288 116.7147 55.9435 38.7241 176.8186 63 N 4.4163 8.5482 118.5620 56.9914 39.2363 176.7261 64 M 4.2822 8.2575 118.8859 58.0958 31.9860 178.0033 65 S 4.2055 7.3042 113.1934 61.0959 63.0636 175.2448 66 E 4.0324 7.6933 121.1949 59.3796 29.2818 177.9279 67 Y 4.1753 7.3959 119.3518 60.9560 38.8051 178.2957 68 L 4.1610 7.9979 119.0248 57.4367 41.6048 179.7015 69 T 4.5484 7.7487 117.5694 64.8480 69.2216 173.8928 70 N 4.7418 7.7950 120.1920 52.2183 40.3957 173.2048 71 P 4.4922 0.0000 0.0000 62.8228 31.2713 178.3353 *73 K 4.2234 8.0860 121.3034 56.6992 33.7131 176.3970 74 Y 4.2994 8.7975 119.0950 60.1211 39.2181 175.6107 75 I 4.5151 8.6370 120.9723 58.3604 38.4051 171.2934 76 P 4.5275 0.0000 0.0000 63.6797 31.8032 177.0628 77 G 4.0466 8.9860 111.5045 45.3838 0.0000 173.7641 78 T 4.0748 7.4562 114.3395 62.1676 67.7316 173.8781 79 K 4.3587 8.6250 125.9173 56.8861 33.2843 176.3155 80 M 4.0376 7.9661 120.3017 56.3443 32.8009 177.0360 81 A 4.5566 8.4448 133.3137 50.9864 18.0722 176.2947 82 F 4.8682 7.5866 122.4108 55.6807 42.5165 174.8956 83 G 3.2305 8.0282 116.3853 46.4169 0.0000 174.2718 84 G 3.6517 5.3800 103.4820 46.4207 0.0000 173.1369 85 F 4.7624 9.1398 118.4584 55.7376 38.9431 177.0965 86 K 4.1574 8.6115 125.8777 57.7383 32.7107 177.6642 87 K 4.4086 7.9903 119.3810 54.9285 32.8806 177.0327 88 E 4.0334 8.9477 125.3866 59.1704 29.3798 178.8641 89 K 4.0682 8.0106 118.5453 59.7263 32.7185 178.9123 90 D 4.1113 7.9237 120.1086 57.2638 40.7917 178.8781 91 R 3.7410 7.7379 117.9269 59.1603 30.1412 178.5269 92 N 4.6432 8.5510 116.6248 56.6618 38.6379 176.9909 93 D 4.3917 8.2898 120.1553 57.5697 41.0301 178.9123 94 L 4.0821 8.3915 120.9173 58.1925 42.0506 179.0257 95 I 4.0556 8.4579 120.2496 64.3138 36.8448 178.5844 96 T 3.9574 8.2012 116.9667 66.6984 68.3055 175.9751 97 Y 4.0420 8.0068 121.2725 60.7079 38.8960 177.9512 98 L 3.6394 8.4700 120.1582 57.8442 41.5640 179.6169 99 K 3.7906 8.2078 117.2979 59.3400 31.9515 179.1350 100 K 4.0451 7.4143 117.0116 59.1132 32.2976 178.9857 101 A 3.9120 7.8624 120.4897 54.6435 18.4444 178.8069 102 T 4.0353 8.0645 106.6187 62.0676 68.9389 174.9850 103 E 4.1220 7.7803 126.4620 56.7884 29.7713 175.8255 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 -5 T 8.17 4.33 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 1.31 0.00 0.00 -4 E 8.09 5.46 0.00 2.11 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 2.23 2.35 0.00 -3 F 8.87 4.98 0.00 3.02 3.22 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 -2 K 7.17 4.02 0.00 1.43 1.40 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.16 1.22 7.81 -1 A 7.25 4.20 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 -4 G 8.00 5.07 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 -3 S 8.88 4.83 0.00 3.77 4.05 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 -2 A 7.12 4.02 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 -1 K 7.30 4.20 0.00 1.61 1.48 0.00 0.61 0.00 0.00 1.78 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.30 7.81 5 K 8.00 4.16 0.00 1.85 2.01 0.00 1.60 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.70 1.54 7.81 6 G 8.12 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 7 A 7.60 2.00 1.17 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 0.00 0.00 8 T 7.58 3.97 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 1.21 0.00 0.00 9 L 7.69 4.08 0.00 1.91 1.82 0.44 0.95 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 10 F 7.99 3.97 0.00 3.13 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 11 K 7.71 4.14 0.00 1.79 1.88 0.00 1.77 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.55 1.49 7.81 12 T 7.74 4.14 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 1.24 0.00 0.00 13 R 7.96 4.51 0.00 1.82 1.69 0.00 3.28 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 14 C 8.40 4.27 0.00 1.23 2.23 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 15 L 7.10 4.12 0.00 1.65 1.80 1.05 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 7.96 3.76 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.70 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 17 C 8.03 4.89 0.00 2.76 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 18 H 8.03 5.31 0.00 3.11 3.25 0.00 5.55 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.69 4.90 4.56 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 0.00 0.00 0.00 1.27 0.00 0.00 20 V 8.38 4.44 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 nan 0.00 0.00 0.75 0.00 0.00 21 E 7.90 4.09 0.00 2.06 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 2.41 2.36 0.00 22 K 8.26 3.91 0.00 0.94 1.51 0.00 1.49 0.00 0.00 1.56 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.39 7.81 23 G 9.00 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 0.00 0.00 0.00 24 G 7.60 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 25 P 0.00 4.57 0.00 2.19 2.06 0.00 3.78 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 1.97 1.98 0.00 26 H 8.25 4.86 0.00 3.27 3.34 0.00 5.64 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.91 4.55 0.00 1.60 1.32 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.37 7.81 28 V 9.01 3.72 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 0.78 0.00 0.00 0.93 0.00 0.00 29 G 7.97 3.88 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 0.00 0.00 0.00 30 P 0.00 4.32 0.00 1.71 0.65 0.00 3.68 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.02 0.00 31 N 9.11 4.57 0.00 2.96 2.83 0.00 0.00 6.96 7.78 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 32 L 9.04 4.46 0.00 1.62 1.49 0.89 0.76 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 33 H 8.19 4.03 0.00 3.41 3.25 0.00 6.05 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.85 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 35 I 7.29 3.74 1.79 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 0.61 0.83 0.42 0.00 0.00 36 F 7.81 4.52 0.00 3.06 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 37 G 10.57 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 0.00 0.00 0.00 0.00 38 R 7.56 4.22 0.00 2.10 2.06 0.00 3.15 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 39 H 8.56 5.02 0.00 2.93 3.06 0.00 5.96 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.30 4.18 0.00 3.97 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 41 G 7.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 8.02 4.54 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.89 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 43 A 8.76 4.43 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 44 E 8.80 4.31 0.00 2.07 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 2.38 2.37 0.00 45 G 9.11 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 0.00 0.00 0.00 46 Y 7.47 4.36 0.00 2.55 2.38 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 0.00 47 S 7.13 4.37 0.00 3.69 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.24 4.76 0.00 3.04 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 49 T 8.52 4.14 4.31 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 1.32 0.00 0.00 50 D 8.66 4.46 0.00 2.73 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 51 A 7.97 3.97 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 52 N 8.28 4.39 0.00 2.97 3.00 0.00 0.00 7.28 7.31 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 53 I 7.28 3.50 2.03 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 1.78 1.25 0.87 0.00 0.00 54 K 7.77 4.15 0.00 1.72 1.81 0.00 1.68 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.63 7.81 55 K 7.78 3.84 0.00 1.78 1.85 0.00 1.62 0.00 0.00 1.39 0.00 0.00 2.24 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.21 1.16 7.81 56 N 7.34 3.90 0.00 2.70 2.63 0.00 0.00 7.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 6.89 3.48 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.50 0.00 0.00 58 L 8.04 4.52 0.00 1.53 1.45 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 59 W 9.52 4.99 0.00 3.34 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 60 D 8.95 5.33 0.00 2.79 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 61 E 8.96 3.94 0.00 1.31 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 2.02 2.25 0.00 62 N 8.23 4.61 0.00 3.03 2.97 0.00 0.00 6.80 6.92 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 63 N 8.55 4.42 0.00 3.19 3.13 0.00 0.00 6.83 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 64 M 8.26 4.28 0.00 2.51 2.17 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.64 0.00 65 S 7.30 4.21 0.00 4.25 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 66 E 7.69 4.03 0.00 2.10 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 2.36 2.37 0.00 67 Y 7.40 4.18 0.00 3.00 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 68 L 8.00 4.16 0.00 1.95 2.02 0.99 0.78 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 69 T 7.75 4.55 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 1.34 0.00 0.00 70 N 7.80 4.74 0.00 2.63 2.70 0.00 0.00 7.26 7.60 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 71 P 0.00 4.49 0.00 2.19 1.51 0.00 3.53 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.71 0.00 *73 K 8.09 4.22 0.00 1.82 2.29 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.60 7.81 74 Y 8.80 4.30 0.00 3.19 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 75 I 8.64 4.52 2.08 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 1.30 1.44 0.93 0.00 0.00 76 P 0.00 4.53 0.00 2.05 2.01 0.00 3.61 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 2.02 2.23 0.00 77 G 8.99 4.05 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 0.00 0.00 0.00 78 T 7.46 4.07 4.53 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 0.00 0.00 0.00 1.48 0.00 0.00 79 K 8.63 4.36 0.00 1.96 1.96 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.53 7.81 80 M 7.97 4.04 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.63 0.00 81 A 8.44 4.56 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 82 F 7.59 4.87 0.00 2.81 2.84 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 83 G 8.03 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 0.00 0.00 0.00 84 G 5.38 3.65 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 0.00 0.00 0.00 85 F 9.14 4.76 0.00 3.35 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.61 4.16 0.00 1.78 1.89 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.38 7.81 87 K 7.99 4.41 0.00 2.10 1.78 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.52 1.48 7.81 88 E 8.95 4.03 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 2.40 2.42 0.00 89 K 8.01 4.07 0.00 2.00 2.03 0.00 1.55 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.52 7.81 90 D 7.92 4.11 0.00 2.91 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 0.00 0.00 0.00 91 R 7.74 3.74 0.00 2.04 2.04 0.00 3.38 0.00 0.00 3.76 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.98 0.00 92 N 8.55 4.64 0.00 2.88 2.96 0.00 0.00 7.05 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 93 D 8.29 4.39 0.00 2.81 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 94 L 8.39 4.08 0.00 1.54 1.51 1.22 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.46 4.06 1.81 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.67 0.42 0.00 0.00 96 T 8.20 3.96 4.52 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 1.33 0.00 0.00 97 Y 8.01 4.04 0.00 3.04 3.18 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 98 L 8.47 3.64 0.00 1.89 1.91 0.84 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.21 3.79 0.00 1.65 1.60 0.00 0.65 0.00 0.00 1.18 0.00 0.00 2.51 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.88 7.81 100 K 7.41 4.05 0.00 1.56 1.77 0.00 1.67 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.56 7.81 101 A 7.86 3.91 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 T 8.06 4.04 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 1.06 0.00 0.00 103 E 7.78 4.12 0.00 1.90 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 2.36 2.18 0.00 * Residues marked with a * may have inaccurate shift predictions.