NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2613 8.2649 123.5831 51.7084 19.5348 180.3481 3 C 4.3183 8.9373 129.4252 56.8372 31.4039 170.3073 4 P 4.2285 0.0000 0.0000 65.7649 31.4594 178.0176 5 L 3.9539 7.8550 118.2144 58.2272 42.2002 178.6891 6 E 4.0219 8.1135 118.1548 59.1622 29.4117 179.0325 7 K 4.0308 8.4656 119.8510 59.1759 32.2013 178.8538 8 A 4.0189 8.1638 121.5507 55.0246 18.2951 179.6035 9 L 4.0091 7.9775 117.6162 57.7758 41.6053 179.1380 10 D 4.3541 7.9415 117.6230 57.5182 41.1557 178.5881 11 V 3.6993 8.0647 118.7667 66.2536 31.6538 177.8762 12 M 4.2456 8.2129 118.5728 58.4836 31.9704 178.9402 13 V 4.1551 8.1171 118.4014 66.1851 31.7906 178.3716 14 S 4.4048 8.7174 115.4271 61.7387 62.3460 176.7507 15 T 4.0248 8.4050 118.8240 66.4637 68.1967 176.1986 16 F 3.7834 7.9319 121.3669 61.8772 38.9066 177.0539 17 H 4.7564 8.0115 115.1757 57.7274 28.2501 177.6602 18 K 3.8829 7.8623 121.1412 58.7937 31.8242 177.3597 19 Y 4.4694 7.3759 115.8416 58.7348 39.3003 178.1573 20 S 4.1295 7.9840 115.0283 60.8942 63.2502 175.7668 21 G 3.7565 7.4114 106.4753 45.4575 0.0000 174.7916 22 K 4.0402 7.7480 119.2299 58.7098 32.1829 176.9964 23 E 4.7420 8.4379 115.5067 54.5305 34.1639 178.2991 24 G 3.5831 8.4548 108.9297 46.2387 0.0000 174.7200 25 D 4.2687 8.8903 126.3050 55.0054 41.3036 177.2892 26 K 4.0736 8.3677 127.5660 56.3854 31.9983 174.3353 27 F 5.3823 8.5315 114.9495 57.6125 39.2981 175.1964 28 K 5.0986 7.7291 118.3479 54.9527 36.3718 175.5935 29 L 5.3475 9.1614 124.1474 52.7594 43.2438 176.5666 30 N 4.9344 9.0148 124.4375 52.3689 39.3689 176.7598 31 K 3.9143 8.9271 123.1673 60.3183 31.5765 177.1842 32 S 4.2919 8.0753 113.7154 61.3922 62.4551 176.0269 33 E 4.0751 9.3939 121.9019 59.2096 29.1826 179.1010 34 L 4.0553 8.5049 123.3728 58.4310 42.1300 179.7354 35 K 4.5602 8.3321 123.8883 59.9142 31.6395 181.4587 36 E 4.1199 8.0495 119.6262 59.1069 29.3698 179.1830 37 L 2.8045 7.3845 120.0896 57.8149 42.1103 178.9637 38 L 4.0871 7.9467 118.7568 58.1668 41.3692 179.7685 39 T 3.9429 7.8110 114.3141 66.8321 68.5538 176.6938 40 R 4.2485 8.3818 118.4393 57.9115 30.3791 177.7948 41 E 4.6631 8.4507 116.8825 56.0398 32.3063 176.0580 42 L 4.9864 7.9329 118.5271 53.2553 42.9914 176.4146 43 P 4.4324 0.0000 0.0000 65.7595 32.0588 179.2098 44 S 4.0427 8.0914 114.4944 61.3178 63.1859 175.4268 45 F 4.2906 8.1884 121.5340 61.2027 39.3087 175.7162 46 L 4.0214 7.0103 116.8014 54.0905 42.6639 176.6401 *51 D 4.4210 8.2459 116.2094 53.8641 39.3798 175.2922 52 E 3.9830 8.3185 128.3425 59.5011 29.8573 177.8096 53 A 3.9847 7.9980 120.4315 55.1729 18.7504 179.3235 54 A 3.9517 8.0461 118.7871 55.1621 18.3761 179.5062 55 F 3.7723 8.1044 119.4748 61.3123 39.4392 177.2729 56 Q 4.0123 8.3511 119.4394 59.0399 28.9992 178.0847 57 K 3.9461 8.3377 120.8558 59.2029 32.1280 178.9683 58 L 3.8814 7.7116 118.9868 57.9427 41.7852 178.7816 59 M 3.8436 8.1484 118.5162 58.7952 31.7796 178.2832 60 S 4.0883 8.0025 112.4411 61.3645 62.6769 175.5239 61 N 4.4647 7.6724 117.7307 56.3894 38.3583 177.1249 62 L 4.2158 7.7879 119.3932 56.6078 43.0127 177.9917 63 D 4.7935 7.7570 119.4810 53.3519 38.7530 176.4711 64 S 4.1785 8.2300 118.2634 59.9130 63.9186 175.6598 65 N 4.6500 8.3167 116.4413 51.9084 37.4004 174.8840 66 R 3.9582 7.3846 116.9612 57.7785 28.1478 176.2296 67 D 4.6527 8.4141 114.2128 53.1233 39.6080 176.8381 68 N 4.4876 9.3829 115.8243 53.8326 36.7950 173.1775 69 E 4.9306 7.9080 115.2201 54.7630 34.5518 174.9851 70 V 4.6687 8.8020 121.3220 61.4547 33.5861 175.1123 71 D 5.1887 9.2180 128.8132 52.3013 41.4310 177.3480 72 F 3.0486 8.8022 119.4635 60.9407 39.2002 176.6576 73 Q 3.8756 8.0746 118.9480 59.2013 29.0515 177.8028 74 E 4.0069 9.0437 120.0675 59.2126 29.3653 178.7079 75 Y 4.1264 7.9431 119.7447 61.0449 38.8896 177.9886 76 C 3.6832 7.6845 117.5274 62.5664 28.1266 176.1470 77 V 3.4993 7.5429 119.5686 65.9215 31.0138 177.8570 78 F 4.2096 7.9291 120.1063 61.4247 39.2223 177.1831 79 L 3.2924 7.4890 118.5880 57.5158 41.3041 179.5218 80 S 4.0060 8.3777 115.4852 61.6459 62.7465 176.3249 81 C 4.0048 7.9055 121.1887 62.4645 31.2667 175.6455 82 I 3.5154 7.2755 121.0087 64.2858 36.5749 177.9544 83 A 3.9086 8.0507 121.9264 55.5241 17.8955 179.0476 84 M 3.9087 8.1833 115.4150 59.2286 32.6462 177.9549 85 M 4.2258 7.9603 118.3500 58.7802 32.2268 178.3566 86 C 4.0939 8.2060 116.7257 63.1539 28.3269 175.7633 87 N 4.5877 8.5984 118.6092 56.9853 38.4898 176.5760 88 E 4.0601 8.1868 119.6499 59.2412 29.2541 178.9918 89 F 4.0215 8.0802 120.0390 61.4469 39.5335 177.0884 90 F 4.1795 8.2388 115.3847 59.6453 38.7200 175.2271 91 E 4.2485 7.8294 121.9262 56.3752 29.4616 175.7379 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 A 8.26 4.26 1.11 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 0.00 0.00 3 C 8.94 4.32 0.00 3.01 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 4 P 0.00 4.23 0.00 2.15 2.13 0.00 3.60 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 2.12 2.17 0.00 5 L 7.86 3.95 0.00 1.75 1.66 0.91 0.96 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 6 E 8.11 4.02 0.00 2.06 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 2.41 2.37 0.00 7 K 8.47 4.03 0.00 1.82 1.95 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.47 7.81 8 A 8.16 4.02 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 9 L 7.98 4.01 0.00 1.90 1.78 0.96 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 10 D 7.94 4.35 0.00 2.88 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 11 V 8.06 3.70 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 1.13 0.00 0.00 0.98 0.00 0.00 12 M 8.21 4.25 0.00 2.27 2.36 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.56 0.00 13 V 8.12 4.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.20 0.00 0.00 14 S 8.72 4.40 0.00 3.99 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 15 T 8.40 4.02 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 1.50 0.00 0.00 16 F 7.93 3.78 0.00 2.33 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 17 H 8.01 4.76 0.00 3.38 3.38 0.00 5.68 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.86 3.88 0.00 1.77 1.88 0.00 1.66 0.00 0.00 1.36 0.00 0.00 2.76 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.56 1.18 7.81 19 Y 7.38 4.47 0.00 2.93 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 20 S 7.98 4.13 0.00 3.79 3.12 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 21 G 7.41 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 22 K 7.75 4.04 0.00 2.04 1.85 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.33 7.81 23 E 8.44 4.74 0.00 1.83 1.78 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 2.21 2.20 0.00 24 G 8.45 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 25 D 8.89 4.27 0.00 2.67 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 26 K 8.37 4.07 0.00 1.82 1.71 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.03 7.81 27 F 8.53 5.38 0.00 3.11 3.14 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 28 K 7.73 5.10 0.00 1.68 1.86 0.00 2.07 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.65 7.81 29 L 9.16 5.35 0.00 1.60 1.58 1.02 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 30 N 9.01 4.93 0.00 2.86 2.97 0.00 0.00 6.31 7.83 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 31 K 8.93 3.91 0.00 1.78 1.89 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.10 7.81 32 S 8.08 4.29 0.00 3.88 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 33 E 9.39 4.08 0.00 2.21 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 2.41 2.44 0.00 34 L 8.50 4.06 0.00 1.75 1.94 0.85 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.33 4.56 0.00 1.82 1.81 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.36 7.81 36 E 8.05 4.12 0.00 2.23 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 2.41 2.36 0.00 37 L 7.38 2.80 0.00 1.00 1.44 1.04 0.77 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 38 L 7.95 4.09 0.00 2.03 1.90 0.66 0.75 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 39 T 7.81 3.94 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 1.23 0.00 0.00 40 R 8.38 4.25 0.00 1.88 2.11 0.00 3.43 0.00 0.00 3.37 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.81 0.00 41 E 8.45 4.66 0.00 2.11 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 2.34 2.63 0.00 42 L 7.93 4.99 0.00 1.89 1.70 0.83 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.43 0.00 2.25 2.48 0.00 3.81 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.03 0.00 44 S 8.09 4.04 0.00 3.94 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 45 F 8.19 4.29 0.00 2.96 3.34 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 46 L 7.01 4.02 0.00 1.83 1.73 1.31 1.15 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 *51 D 8.25 4.42 0.00 2.93 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 52 E 8.32 3.98 0.00 2.01 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 2.32 2.29 0.00 53 A 8.00 3.98 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 54 A 8.05 3.95 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 55 F 8.10 3.77 0.00 3.32 3.16 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 56 Q 8.35 4.01 0.00 2.38 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 57 K 8.34 3.95 0.00 1.95 1.92 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.62 7.81 58 L 7.71 3.88 0.00 1.77 1.38 0.89 0.69 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 59 M 8.15 3.84 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.62 0.00 60 S 8.00 4.09 0.00 3.96 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 61 N 7.67 4.46 0.00 2.88 2.85 0.00 0.00 7.12 7.13 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 62 L 7.79 4.22 0.00 1.48 1.61 0.05 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.76 4.79 0.00 2.87 2.60 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 0.00 0.00 0.00 0.00 64 S 8.23 4.18 0.00 4.02 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 65 N 8.32 4.65 0.00 2.90 2.97 0.00 0.00 7.02 7.57 0.00 0.00 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 7.38 3.96 0.00 1.92 2.05 0.00 3.41 0.00 0.00 3.38 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 67 D 8.41 4.65 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 68 N 9.38 4.49 0.00 2.89 3.06 0.00 0.00 6.64 7.54 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 69 E 7.91 4.93 0.00 1.88 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 2.26 2.26 0.00 70 V 8.80 4.67 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 1.23 0.00 0.00 0.92 0.00 0.00 71 D 9.22 5.19 0.00 2.98 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 72 F 8.80 3.05 0.00 2.64 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 73 Q 8.07 3.88 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 74 E 9.04 4.01 0.00 2.24 2.13 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 2.38 2.42 0.00 75 Y 7.94 4.13 0.00 3.11 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 76 C 7.68 3.68 0.00 2.77 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 77 V 7.54 3.50 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 0.98 0.00 0.00 0.95 0.00 0.00 78 F 7.93 4.21 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 79 L 7.49 3.29 0.00 1.40 1.32 0.39 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.38 4.01 0.00 3.93 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 81 C 7.91 4.00 0.00 3.13 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 82 I 7.28 3.52 1.57 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 -0.31 0.74 0.00 0.00 83 A 8.05 3.91 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 84 M 8.18 3.91 0.00 1.93 2.25 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.63 0.00 85 M 7.96 4.23 0.00 2.12 2.28 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.90 0.00 86 C 8.21 4.09 0.00 3.20 3.09 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 87 N 8.60 4.59 0.00 2.95 3.08 0.00 0.00 7.27 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.19 4.06 0.00 2.28 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 2.37 2.64 0.00 89 F 8.08 4.02 0.00 2.97 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.24 4.18 0.00 3.26 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 91 E 7.83 4.25 0.00 2.10 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 2.33 2.50 0.00 * Residues marked with a * may have inaccurate shift predictions.