NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3084 8.3149 120.1289 56.2940 33.6492 175.7461 3 T 3.7965 8.5555 119.2087 66.3938 68.5876 173.8430 4 I 4.0830 8.4179 122.6042 61.3460 38.7560 175.3389 5 R 4.4992 8.7603 126.0423 54.3570 32.6606 175.3105 6 R 4.8048 8.1327 121.7519 54.6281 32.7173 174.6009 7 Y 4.6985 8.9790 121.7106 55.9858 41.6897 174.9224 8 D 4.3843 8.5736 117.6366 55.3620 39.6333 173.8626 9 V 3.9075 7.6810 117.3280 62.5858 32.8435 174.4022 10 N 4.7946 9.0200 126.0422 51.6932 39.6868 174.8384 11 E 4.0091 8.6460 126.7664 59.4540 30.1241 179.4784 12 D 4.4368 8.2422 117.4247 57.5292 40.8940 177.9129 13 R 4.0637 8.4063 115.7023 56.3715 30.6184 176.4228 14 G 3.8780 7.6272 104.8956 46.3625 0.0000 172.5409 15 H 5.0753 7.9529 112.4993 54.2069 33.0828 172.7464 16 T 4.8064 8.4148 115.5192 61.7008 70.0144 174.9350 17 G 3.7508 8.9720 114.2596 48.3445 0.0000 173.3578 18 L 5.2628 8.3771 123.0247 53.5408 45.8629 174.9888 19 V 4.8702 9.2726 127.2226 61.2606 33.9775 173.6615 20 E 4.6603 9.4322 129.5290 54.6423 31.6322 174.4738 21 A 4.6958 8.8892 128.7102 49.5815 21.6453 176.8612 22 G 3.7882 8.7857 113.9356 48.2278 0.0000 173.5169 23 D 4.6572 8.7875 125.2923 53.4363 41.2806 175.0975 24 F 5.4005 8.2227 118.8552 55.8741 42.5191 174.1960 25 Y 5.1740 9.0534 118.6725 56.6222 41.7444 173.8725 26 Y 5.0198 9.5135 122.6719 56.2953 40.2241 174.8232 27 L 4.9152 8.7209 125.5688 53.6021 42.6624 176.7332 28 N 4.6560 8.8729 123.2192 53.1677 39.8701 173.8860 29 Y 4.4219 8.5739 120.3894 58.2490 38.4088 175.4795 30 C 4.9867 9.6396 120.8588 58.0632 31.3313 173.2969 31 V 4.7339 7.9987 120.7751 60.7484 33.8236 173.7333 32 G 3.9167 8.8841 109.5913 45.5420 0.0000 172.2466 33 N 3.9627 8.5065 113.8565 53.9019 36.1801 175.2881 34 V 3.8101 7.5113 115.4905 62.7761 32.7093 176.6519 35 G 4.2140 8.9004 110.1930 45.4172 0.0000 173.5461 36 Q 4.5360 7.2574 118.1255 54.3470 30.3627 175.1629 37 D 4.6624 8.1979 119.1464 52.9779 41.5486 176.8822 38 I 3.6261 8.2334 118.9129 64.2738 37.8092 177.1856 39 E 3.8875 8.1199 119.5061 59.5090 29.5311 178.8481 40 S 4.1201 8.2890 115.1050 61.6957 62.8324 176.7159 41 Q 4.3465 8.2802 122.3947 58.3881 28.3900 178.9730 42 I 3.1260 7.6748 120.8730 64.1939 37.0807 178.1642 43 N 4.6084 8.3879 117.6641 56.2954 38.2652 177.7579 44 G 3.5758 8.6299 107.3870 47.5875 0.0000 175.6143 45 A 3.9978 7.9169 122.3063 55.1016 18.5230 179.4648 46 F 4.7418 7.7872 114.9572 60.8817 39.1714 177.1748 47 D 4.6135 8.4632 118.7155 57.2327 40.6378 177.9634 48 E 4.3791 7.8559 118.5154 56.8162 30.1744 178.2690 *50 E 4.2272 8.1877 118.7154 55.9156 31.7194 178.2715 51 R 3.8657 8.2368 117.6517 59.5319 30.4679 178.5757 52 R 4.0516 8.0630 117.7362 59.2986 30.0241 179.0339 53 L 3.8798 7.8880 118.0614 57.6780 41.6472 179.2652 54 A 3.8971 8.1035 120.4710 54.7389 17.9818 179.5471 55 L 3.9444 7.5225 116.6698 56.9911 41.5783 178.4864 56 V 4.0223 7.1292 109.3020 60.5255 31.9213 175.6802 57 G 3.7572 7.7984 106.7587 46.5180 0.0000 174.1664 58 L 4.4500 7.6361 119.5199 52.8633 43.8580 175.0548 59 T 4.6247 7.5492 108.4490 59.8108 72.0756 174.5148 60 L 3.7626 8.2103 119.9341 57.6307 41.5099 179.2898 61 D 4.3016 7.6759 116.7954 56.5872 41.3472 176.7317 62 A 4.3309 8.1549 120.9072 52.5328 19.3467 176.9518 63 V 4.2883 7.6080 117.0336 62.8660 32.1863 175.8880 64 V 4.3382 9.0006 120.3671 62.3745 34.1836 174.9736 65 Q 5.4112 7.5677 119.4782 55.0722 33.1832 172.4443 *67 D 4.9195 8.4962 118.4859 54.4143 42.6481 174.5817 68 C 4.8794 8.9987 120.8549 57.8468 31.1589 172.7126 69 L 5.1153 8.2781 124.3147 52.9916 43.8335 175.5424 70 F 5.5158 9.3412 122.8770 55.6693 41.9011 176.6606 71 R 4.0794 9.1842 122.8917 58.1317 31.0222 175.7431 72 D 4.9462 8.3153 118.0265 51.9872 42.5714 175.9081 73 V 3.2468 9.2882 127.8475 63.3389 31.5637 178.0666 74 W 4.1983 8.1413 119.3636 58.0708 28.9035 176.8704 75 N 4.6783 8.1546 116.3963 53.5343 37.8931 176.5074 76 I 3.5615 6.8340 122.5135 64.3628 37.6499 175.8820 77 P 4.4369 0.0000 0.0000 65.2138 30.8523 179.0219 78 V 3.7194 7.3745 113.4415 63.7804 31.0297 176.3148 *80 E 4.3237 8.2210 120.0127 55.9766 31.3290 178.1823 81 K 3.8140 7.8340 115.1073 57.6167 31.9751 178.1078 *83 I 4.1907 7.8587 119.4816 61.1071 38.8390 178.0754 84 K 4.1628 7.9630 118.1125 59.5926 32.0017 178.5026 85 E 4.1888 8.2654 117.4917 58.5019 29.4767 177.8915 86 R 4.4525 8.0584 114.9725 56.1833 32.2457 176.4291 87 F 4.3398 8.6423 115.5042 56.4786 39.3532 175.7101 88 N 3.9727 8.9817 116.7146 54.4190 35.6462 175.0801 89 G 3.5354 8.4546 103.2513 45.7401 0.0000 174.3082 90 R 4.1407 7.4590 118.1768 54.3106 31.8859 174.5603 91 Y 4.8414 7.8705 120.8656 55.2655 40.3192 174.0459 92 P 4.7626 0.0000 0.0000 62.1162 33.1114 175.5962 93 A 4.4661 8.6901 122.2603 52.3106 19.5612 176.7012 94 R 5.0808 8.2059 115.2514 55.3027 32.7677 173.7151 95 K 4.8205 8.5001 117.2696 55.6308 36.5036 174.9505 96 S 5.4258 8.6430 115.8233 56.9908 66.3855 173.7321 97 I 4.7012 9.0261 123.4722 59.6154 41.3111 173.9521 98 Q 5.0594 8.6407 127.0159 55.3123 30.4544 174.4497 99 T 4.5627 8.4272 119.3966 60.5714 71.2962 173.0148 100 E 4.0864 8.5473 125.8321 56.3017 30.2714 176.1633 101 F 5.0213 8.0949 117.8313 55.6771 42.4290 175.3143 102 A 4.4518 8.4121 124.2989 52.0154 18.0429 176.9965 103 H 5.0358 7.7662 118.9918 55.4001 33.5541 173.1443 104 H 4.3596 8.8351 119.5561 55.9367 29.4783 174.7289 105 G 4.1649 8.6655 109.1693 45.9410 0.0000 172.9201 106 G 4.0088 8.7760 110.1594 44.7935 0.0000 170.2297 107 P 4.3788 0.0000 0.0000 64.4947 32.0293 175.6594 108 Q 4.1127 8.3949 119.0016 55.6532 26.4910 174.0750 109 G 4.2210 8.0454 107.3696 44.1173 0.0000 173.4211 110 L 4.2882 8.1229 121.6771 54.4274 42.6045 176.1001 111 L 4.9909 9.1450 124.7265 54.9198 44.6242 175.9440 112 F 5.2623 7.5767 118.3958 57.3116 42.2025 173.0358 113 Q 4.5605 7.9452 123.3847 54.1373 33.6000 174.2356 114 V 4.7491 8.2548 119.8628 60.2362 35.2284 173.9099 115 D 5.1509 8.8287 121.8608 52.3631 43.1241 173.8218 116 G 4.1160 7.7678 104.3211 46.4505 0.0000 172.0765 117 V 4.9368 8.5929 119.4351 60.8513 34.5923 174.2492 118 A 5.3796 9.2406 128.4589 50.3639 22.7617 174.1096 119 Y 5.0183 8.6102 119.3687 56.1331 42.0788 174.9962 120 S 4.0911 8.1501 120.1030 57.0157 66.1495 173.4339 121 K 3.8788 8.1189 129.0461 57.2889 32.8579 175.9017 122 H 4.3264 8.7986 124.4154 56.5689 31.2750 174.2829 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 2 K 8.31 4.31 0.00 1.89 1.78 0.00 1.56 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.51 7.81 3 T 8.56 3.80 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 4 I 8.42 4.08 1.84 0.00 0.00 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 1.32 0.45 0.88 0.00 0.00 5 R 8.76 4.50 0.00 1.66 1.37 0.00 3.26 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 6 R 8.13 4.80 0.00 1.53 1.76 0.00 3.10 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 7 Y 8.98 4.70 0.00 2.99 2.83 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 8 D 8.57 4.38 0.00 2.97 2.72 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 0.00 0.00 0.00 9 V 7.68 3.91 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.92 0.00 0.00 10 N 9.02 4.79 0.00 2.63 2.33 0.00 0.00 6.99 7.63 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 11 E 8.65 4.01 0.00 2.02 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 2.39 2.27 0.00 12 D 8.24 4.44 0.00 2.79 2.73 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 0.00 0.00 0.00 13 R 8.41 4.06 0.00 1.57 1.99 0.00 3.55 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 14 G 7.63 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 15 H 7.95 5.08 0.00 3.25 3.42 0.00 5.42 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.41 4.81 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 1.37 0.00 0.00 17 G 8.97 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.38 5.26 0.00 1.86 1.66 1.11 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 19 V 9.27 4.87 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 0.97 0.00 0.00 0.99 0.00 0.00 20 E 9.43 4.66 0.00 2.23 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 2.10 1.60 0.00 21 A 8.89 4.70 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 22 G 8.79 3.79 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 0.00 0.00 0.00 23 D 8.79 4.66 0.00 2.59 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 0.00 0.00 0.00 24 F 8.22 5.40 0.00 3.20 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 9.05 5.17 0.00 2.79 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 26 Y 9.51 5.02 0.00 2.92 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 27 L 8.72 4.92 0.00 1.83 1.65 0.99 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.87 4.66 0.00 2.89 2.50 0.00 0.00 7.22 7.09 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 29 Y 8.57 4.42 0.00 2.91 2.95 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 30 C 9.64 4.99 0.00 2.87 2.94 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 31 V 8.00 4.73 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 0.66 0.00 0.00 0.79 0.00 0.00 32 G 8.88 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 33 N 8.51 3.96 0.00 2.97 2.84 0.00 0.00 6.56 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 34 V 7.51 3.81 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 0.68 0.00 0.00 0.77 0.00 0.00 35 G 8.90 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 0.00 0.00 0.00 36 Q 7.26 4.54 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.88 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 37 D 8.20 4.66 0.00 2.96 2.83 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 38 I 8.23 3.63 1.93 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.18 0.94 0.00 0.00 39 E 8.12 3.89 0.00 2.07 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 2.38 2.41 0.00 40 S 8.29 4.12 0.00 4.05 3.90 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 0.00 0.00 0.00 41 Q 8.28 4.35 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.56 2.60 0.00 42 I 7.67 3.13 1.72 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.12 0.52 0.00 0.00 43 N 8.39 4.61 0.00 2.97 2.92 0.00 0.00 6.95 7.62 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 44 G 8.63 3.58 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 0.00 0.00 0.00 45 A 7.92 4.00 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 46 F 7.79 4.74 0.00 3.28 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.46 4.61 0.00 2.98 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 48 E 7.86 4.38 0.00 2.05 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 2.26 2.36 0.00 *50 E 8.19 4.23 0.00 2.25 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 2.20 2.39 0.00 51 R 8.24 3.87 0.00 1.88 2.12 0.00 3.26 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 52 R 8.06 4.05 0.00 1.91 1.97 0.00 3.16 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 53 L 7.89 3.88 0.00 1.60 1.61 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.10 3.90 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 55 L 7.52 3.94 0.00 1.59 1.51 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 56 V 7.13 4.02 1.88 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 0.21 0.00 0.00 0.56 0.00 0.00 57 G 7.80 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 0.00 0.00 0.00 58 L 7.64 4.45 0.00 1.46 1.39 0.02 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.55 4.62 4.12 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 1.12 0.00 0.00 60 L 8.21 3.76 0.00 1.20 0.80 0.10 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.68 4.30 0.00 2.57 2.64 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 62 A 8.15 4.33 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 63 V 7.61 4.29 2.41 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 0.98 0.00 0.00 1.00 0.00 0.00 64 V 9.00 4.34 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 0.82 0.00 0.00 1.11 0.00 0.00 65 Q 7.57 5.41 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.67 0.00 0.00 0.00 0.00 0.00 2.37 2.22 0.00 *67 D 8.50 4.92 0.00 2.97 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 C 9.00 4.88 0.00 3.11 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.28 5.12 0.00 1.61 1.72 0.90 0.83 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 70 F 9.34 5.52 0.00 2.93 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 71 R 9.18 4.08 0.00 2.15 2.17 0.00 3.17 0.00 0.00 3.09 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.46 0.00 72 D 8.32 4.95 0.00 2.85 2.64 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 73 V 9.29 3.25 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 0.34 0.00 0.00 0.66 0.00 0.00 74 W 8.14 4.20 0.00 3.37 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 75 N 8.15 4.68 0.00 3.01 3.01 0.00 0.00 6.91 6.85 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 76 I 6.83 3.56 1.63 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 -0.21 0.85 0.00 0.00 77 P 0.00 4.44 0.00 2.17 2.11 0.00 3.71 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.15 0.00 78 V 7.37 3.72 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 0.76 0.00 0.00 0.96 0.00 0.00 *80 E 8.22 4.32 0.00 2.21 1.96 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 2.24 2.49 0.00 81 K 7.83 3.81 0.00 1.96 1.97 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.43 7.81 *83 I 7.86 4.19 1.87 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 1.08 0.53 0.42 0.00 0.00 84 K 7.96 4.16 0.00 1.95 1.94 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.49 7.81 85 E 8.27 4.19 0.00 2.05 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 0.00 2.38 2.48 0.00 86 R 8.06 4.45 0.00 1.74 1.76 0.00 3.28 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 87 F 8.64 4.34 0.00 3.48 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 N 8.98 3.97 0.00 2.81 2.85 0.00 0.00 7.02 7.65 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 89 G 8.45 3.54 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 0.00 90 R 7.46 4.14 0.00 1.70 1.77 0.00 3.08 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.43 0.00 91 Y 7.87 4.84 0.00 2.96 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 92 P 0.00 4.76 0.00 2.11 2.28 0.00 3.49 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.89 0.00 93 A 8.69 4.47 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 94 R 8.21 5.08 0.00 1.84 1.90 0.00 3.08 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 95 K 8.50 4.82 0.00 1.81 1.90 0.00 1.45 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.49 7.81 96 S 8.64 5.43 0.00 3.76 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 9.03 4.70 1.90 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 1.12 0.82 0.89 0.00 0.00 98 Q 8.64 5.06 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.72 0.00 0.00 0.00 0.00 0.00 2.26 2.63 0.00 99 T 8.43 4.56 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 0.87 0.00 0.00 100 E 8.55 4.09 0.00 1.90 1.81 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 2.24 2.23 0.00 101 F 8.09 5.02 0.00 2.98 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 0.00 102 A 8.41 4.45 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 0.00 103 H 7.77 5.04 0.00 3.10 3.11 0.00 5.94 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.84 4.36 0.00 3.25 3.40 0.00 5.49 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 0.00 105 G 8.67 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 8.78 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 0.00 0.00 0.00 107 P 0.00 4.38 0.00 2.09 2.05 0.00 3.88 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 108 Q 8.39 4.11 0.00 2.37 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 109 G 8.05 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.12 4.29 0.00 1.21 1.44 0.70 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 111 L 9.14 4.99 0.00 1.74 1.80 0.98 0.85 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 0.00 112 F 7.58 5.26 0.00 2.81 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 7.95 4.56 0.00 1.74 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.53 0.00 0.00 0.00 0.00 0.00 1.89 1.45 0.00 114 V 8.25 4.75 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 0.78 0.00 0.00 1.15 0.00 0.00 115 D 8.83 5.15 0.00 2.90 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 G 7.77 4.12 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 0.00 117 V 8.59 4.94 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 0.82 0.00 0.00 0.94 0.00 0.00 118 A 9.24 5.38 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 0.00 119 Y 8.61 5.02 0.00 2.64 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 S 8.15 4.09 0.00 3.61 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.12 3.88 0.00 1.58 1.60 0.00 1.97 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.56 7.81 122 H 8.80 4.33 0.00 3.32 3.31 0.00 6.03 0.00 0.00 0.00 0.00 6.91 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.