NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *7 R 4.3279 8.2549 119.0717 55.6062 30.5446 174.9623 8 P 2.9700 0.0000 0.0000 62.8819 32.1021 173.3400 9 N 4.9351 7.9688 117.6869 52.5887 42.6672 173.8534 10 H 4.3358 9.1303 120.3358 58.8438 29.3541 175.5508 11 T 4.9688 8.2132 115.8323 62.0780 70.4176 174.0200 12 I 4.8820 8.4958 119.6091 59.2651 40.3267 173.9349 13 Y 4.0803 8.8839 128.5899 56.8094 39.8097 173.8225 14 I 4.6236 7.8442 128.7171 59.5790 40.0476 174.7599 15 N 5.0875 8.2470 124.7393 50.8976 40.9729 173.5390 16 N 4.3427 8.6854 113.6573 55.1217 37.3656 174.7377 17 L 4.5712 7.7419 114.4762 52.9764 43.0074 176.2558 18 N 4.4932 8.5556 119.8355 53.4216 38.9545 175.7697 19 E 4.1539 8.6766 125.4771 58.3223 29.8946 178.1990 20 K 4.0877 7.7602 117.7273 57.9973 32.3928 177.1188 21 I 3.9732 6.8413 119.9210 59.6866 38.1863 176.5717 22 K 4.2348 8.2245 124.4739 56.1053 34.6527 178.0418 23 K 3.8589 8.4804 120.3232 60.0391 31.9970 178.3356 24 D 4.3761 8.0248 117.6248 56.9577 41.1664 177.5356 25 E 3.9966 8.1287 119.5460 59.3535 29.5816 178.5134 26 L 4.2230 7.8962 119.8638 57.8893 41.9644 178.4078 27 K 4.2652 8.0426 118.1607 58.0771 32.5026 177.7741 28 K 4.4742 7.6946 118.0786 58.5031 33.7701 178.5708 29 S 4.3898 8.6926 115.6186 61.2105 62.7085 176.2823 30 L 4.1719 7.8874 120.0653 57.0425 41.4046 178.4309 31 H 4.2474 8.2923 116.8241 58.6856 29.9339 176.5678 32 A 4.1830 7.8843 122.0005 54.3059 18.3255 178.6089 33 I 4.0544 6.9100 116.5258 63.3856 37.8521 177.8740 34 F 5.0650 8.1040 116.2421 58.8323 38.4068 177.1662 35 S 4.2117 8.0225 114.4870 60.5834 63.1951 175.9091 36 R 4.0005 7.5798 119.4659 59.0922 29.3973 178.4246 37 F 4.3548 7.7860 117.6972 59.3662 39.1854 175.1242 38 G 4.2266 7.8170 103.7311 45.3214 0.0000 171.8192 39 Q 4.2340 8.1205 117.6122 55.7467 29.0831 174.9613 40 I 4.1758 8.2752 124.4527 60.9594 37.3837 175.9187 41 L 4.2183 9.1351 128.4767 57.4817 42.1291 176.9618 42 D 4.6654 7.6653 115.8245 53.1664 44.7603 173.6206 43 I 4.8543 8.1510 124.9902 59.5117 39.2856 174.9260 44 L 4.7023 8.3684 126.3964 53.0543 43.7227 175.6526 45 V 4.7302 8.4709 123.7874 61.0001 34.0568 174.6957 46 S 4.6879 8.6730 120.8982 56.7547 65.2460 173.5614 47 R 4.5738 8.5386 125.9426 55.9886 30.0846 176.2971 48 S 4.3737 7.6198 111.8871 57.4952 63.5931 174.7737 49 L 3.9148 8.5479 123.2737 57.8454 41.7903 178.1729 50 K 4.3547 8.0152 115.8202 57.2996 32.8977 176.8611 51 M 4.6596 7.4702 115.8868 54.6954 32.9493 176.4047 52 R 4.1779 7.5075 116.3289 56.6862 30.4441 176.6798 53 G 3.9240 9.1010 107.9892 46.3889 0.0000 172.5295 54 Q 4.9949 7.8232 115.5972 54.0961 33.0960 174.2061 55 A 4.7805 8.5080 121.5549 51.0156 23.5723 175.3994 56 F 4.9971 8.5824 118.1011 55.3938 40.1581 173.0312 57 V 3.6434 8.0586 121.0485 62.3499 33.0848 174.3816 58 I 4.5981 8.1749 129.0644 59.7551 38.8148 174.6531 59 F 5.0477 8.2510 126.1841 56.1093 39.6388 176.9249 60 K 4.1775 8.5292 123.2602 58.2872 32.5080 176.8757 61 E 4.7504 8.0150 118.3501 54.2792 31.7525 177.1063 62 V 3.5902 8.2215 122.1878 65.6840 31.2471 178.1068 63 S 4.1020 8.0634 112.8501 61.4515 62.0091 176.2377 64 S 4.0136 7.8238 117.7524 61.4337 62.5698 176.4920 65 A 3.7561 7.6925 122.9363 55.1966 18.1562 179.7525 66 T 4.1843 7.9233 115.6352 66.5268 68.5590 176.8025 67 N 4.3551 7.7846 116.8856 56.2166 38.5603 177.4033 68 A 2.5800 7.6880 122.3357 54.4733 18.1010 179.4495 69 L 3.8096 7.4992 118.0770 57.9416 42.1343 179.1321 70 R 4.0496 7.7281 117.6308 58.9320 30.1265 178.5524 71 S 4.4961 7.9445 113.4771 61.1432 63.5934 175.7812 72 M 4.3914 7.5982 119.0118 54.0979 31.7367 175.7845 73 Q 3.9206 7.5814 121.7773 57.3184 29.5475 176.0092 74 G 3.9371 8.9486 112.6464 47.0028 0.0000 172.7939 75 F 4.1091 7.9228 123.0905 56.8302 39.6646 172.8967 76 P 4.5692 0.0000 0.0000 62.6188 30.3311 175.0693 77 F 4.7562 9.3392 126.5228 57.1157 41.4136 174.9248 78 Y 3.7048 8.5425 127.5840 59.5843 34.7876 170.6406 79 D 4.4366 8.0971 113.8588 54.6793 39.7513 174.2328 80 K 4.7937 7.6844 118.8693 53.5867 35.6472 173.8169 81 P 4.7829 0.0000 0.0000 62.8726 31.6439 176.3186 82 M 4.5748 9.0365 124.2191 55.4121 34.0202 175.4546 83 R 4.8574 8.6411 119.5250 55.2709 33.2944 173.5192 84 I 4.8394 8.3939 127.1849 59.6564 39.7017 174.9748 85 Q 4.5663 9.0417 124.8069 54.1277 33.5912 174.0515 86 Y 4.8804 8.2590 116.8511 57.2649 39.7994 175.2199 87 A 4.3650 8.8101 126.3155 52.6016 18.6377 178.9359 88 K 4.1333 9.0396 124.0941 57.0634 32.1141 175.8544 89 T 4.8163 7.4192 107.0989 58.9172 71.6351 173.3522 90 D 4.4898 8.4796 122.3446 54.5928 41.5703 177.4852 91 S 4.3831 8.3646 118.2262 58.2955 65.1777 175.4948 92 D 4.3625 8.4523 122.7993 57.1792 40.3402 178.8406 93 I 3.7819 7.6704 118.3426 63.3084 38.1076 177.0600 94 I 4.0407 7.5143 118.9203 63.5077 37.7881 177.4992 95 A 4.2238 8.3149 123.2310 54.7410 18.2790 178.1572 96 K 4.1513 7.8184 122.2103 54.7965 32.9128 178.7440 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 *7 R 8.25 4.33 0.00 1.85 1.70 0.00 3.23 0.00 0.00 3.22 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 8 P 0.00 2.97 0.00 1.75 1.32 0.00 3.48 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.86 0.00 9 N 7.97 4.94 0.00 2.76 2.97 0.00 0.00 7.03 7.89 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 10 H 9.13 4.34 0.00 3.33 3.57 0.00 5.85 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.21 4.97 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 1.49 0.00 0.00 12 I 8.50 4.88 1.77 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.74 0.87 0.00 0.00 13 Y 8.88 4.08 0.00 2.90 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 14 I 7.84 4.62 1.59 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.35 0.79 0.00 0.00 15 N 8.25 5.09 0.00 2.54 2.38 0.00 0.00 6.48 6.89 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 16 N 8.69 4.34 0.00 2.84 3.04 0.00 0.00 6.82 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 17 L 7.74 4.57 0.00 1.71 1.68 0.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.56 4.49 0.00 2.74 2.54 0.00 0.00 6.98 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 19 E 8.68 4.15 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 2.32 2.33 0.00 20 K 7.76 4.09 0.00 1.85 1.79 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.47 1.28 7.81 21 I 6.84 3.97 1.47 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.27 0.67 0.00 0.00 22 K 8.22 4.23 0.00 1.97 1.92 0.00 1.51 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.48 7.81 23 K 8.48 3.86 0.00 1.82 1.86 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.54 1.47 7.81 24 D 8.02 4.38 0.00 2.80 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 25 E 8.13 4.00 0.00 2.10 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 0.00 2.51 2.45 0.00 26 L 7.90 4.22 0.00 1.96 1.93 1.31 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.04 4.27 0.00 2.06 2.02 0.00 1.84 0.00 0.00 1.88 0.00 0.00 3.03 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.49 1.63 7.81 28 K 7.69 4.47 0.00 2.00 1.87 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.64 7.81 29 S 8.69 4.39 0.00 4.35 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 0.00 30 L 7.89 4.17 0.00 1.85 1.93 0.98 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 31 H 8.29 4.25 0.00 3.22 3.52 0.00 5.73 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.88 4.18 1.46 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 0.00 0.00 33 I 6.91 4.05 1.27 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.40 0.44 0.00 0.00 34 F 8.10 5.06 0.00 3.28 3.43 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 35 S 8.02 4.21 0.00 4.06 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 36 R 7.58 4.00 0.00 1.65 1.89 0.00 2.21 0.00 0.00 2.77 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.65 0.00 37 F 7.79 4.35 0.00 2.74 2.99 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 38 G 7.82 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 39 Q 8.12 4.23 0.00 2.32 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 7.03 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 40 I 8.28 4.18 1.78 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 0.83 0.52 0.78 0.00 0.00 41 L 9.14 4.22 0.00 1.60 1.71 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 42 D 7.67 4.67 0.00 2.67 2.42 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 0.00 43 I 8.15 4.85 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.72 0.93 0.00 0.00 44 L 8.37 4.70 0.00 1.82 1.63 0.99 0.47 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 45 V 8.47 4.73 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 0.83 0.00 0.00 0.99 0.00 0.00 46 S 8.67 4.69 0.00 3.87 3.69 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 0.00 47 R 8.54 4.57 0.00 1.79 1.89 0.00 3.47 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 48 S 7.62 4.37 0.00 4.03 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 49 L 8.55 3.91 0.00 1.61 1.78 0.93 0.60 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 50 K 8.02 4.35 0.00 1.79 1.88 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.53 7.81 51 M 7.47 4.66 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.64 0.00 52 R 7.51 4.18 0.00 1.93 2.07 0.00 3.15 0.00 0.00 3.09 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.68 0.00 53 G 9.10 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 54 Q 7.82 4.99 0.00 2.19 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.67 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 55 A 8.51 4.78 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 56 F 8.58 5.00 0.00 3.03 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 57 V 8.06 3.64 1.52 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 -0.02 0.00 0.00 0.54 0.00 0.00 58 I 8.17 4.60 1.81 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 1.25 0.72 0.92 0.00 0.00 59 F 8.25 5.05 0.00 3.03 2.97 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 0.00 0.00 0.00 60 K 8.53 4.18 0.00 1.88 1.92 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.46 7.81 61 E 8.02 4.75 0.00 2.05 1.83 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 2.36 2.24 0.00 62 V 8.22 3.59 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 0.95 0.00 0.00 0.63 0.00 0.00 63 S 8.06 4.10 0.00 3.91 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 64 S 7.82 4.01 0.00 3.68 3.20 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 65 A 7.69 3.76 1.47 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 0.00 0.00 66 T 7.92 4.18 4.27 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 1.29 0.00 0.00 67 N 7.78 4.36 0.00 3.01 3.07 0.00 0.00 6.97 6.98 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 68 A 7.69 2.58 0.80 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 0.00 0.00 69 L 7.50 3.81 0.00 1.53 1.65 -0.23 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.73 4.05 0.00 2.00 1.98 0.00 3.22 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 71 S 7.94 4.50 0.00 4.05 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 72 M 7.60 4.39 0.00 1.82 2.17 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.50 0.00 73 Q 7.58 3.92 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.52 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 74 G 8.95 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 75 F 7.92 4.11 0.00 3.07 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 76 P 0.00 4.57 0.00 1.76 1.88 0.00 2.50 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.89 0.00 77 F 9.34 4.76 0.00 3.17 3.06 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 78 Y 8.54 3.70 0.00 2.93 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 79 D 8.10 4.44 0.00 2.82 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 80 K 7.68 4.79 0.00 1.89 1.88 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.38 7.81 81 P 0.00 4.78 0.00 2.09 2.06 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 82 M 9.04 4.57 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.57 0.00 83 R 8.64 4.86 0.00 1.85 1.85 0.00 3.18 0.00 0.00 3.19 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 84 I 8.39 4.84 1.75 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.73 0.70 0.00 0.00 85 Q 9.04 4.57 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.88 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 86 Y 8.26 4.88 0.00 3.02 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 87 A 8.81 4.36 1.53 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 0.00 0.00 0.00 88 K 9.04 4.13 0.00 1.79 1.74 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.36 1.00 7.81 89 T 7.42 4.82 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 1.21 0.00 0.00 90 D 8.48 4.49 0.00 2.68 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 91 S 8.36 4.38 0.00 3.86 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 92 D 8.45 4.36 0.00 2.64 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 93 I 7.67 3.78 1.85 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 1.63 0.73 0.90 0.00 0.00 94 I 7.51 4.04 1.80 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 1.55 0.94 0.65 0.00 0.00 95 A 8.31 4.22 1.31 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 0.00 0.00 96 K 7.82 4.15 0.00 1.76 1.51 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.27 1.22 7.81 * Residues marked with a * may have inaccurate shift predictions.