NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *7 R 4.3434 8.2393 119.0581 55.4972 31.3803 176.3286 8 P 2.9700 0.0000 0.0000 61.5258 33.0612 174.5069 9 N 4.9595 8.3169 117.3765 52.3638 43.0714 175.1942 10 H 4.4509 9.0908 120.9863 59.1566 30.1100 175.5470 11 T 5.0208 8.7793 115.3727 62.5642 70.1320 174.1388 12 I 4.9084 8.5895 119.1377 59.3442 40.6996 173.8094 13 Y 4.3207 8.7531 126.7195 56.4367 40.1905 173.9736 14 I 4.7839 7.4618 128.2333 59.5877 40.1269 174.8461 15 N 5.2215 8.2016 123.4289 50.8798 41.0071 174.4847 16 N 4.4132 8.8361 116.8635 54.8701 37.3851 174.5623 17 L 4.3430 7.7306 114.9323 53.3625 42.7832 176.3231 18 N 4.3514 8.7032 120.2565 53.9524 38.9193 175.6378 19 E 4.2057 8.6686 125.6923 58.5220 29.9518 178.3929 20 K 4.0764 7.8420 117.1427 58.2664 32.3665 177.2712 21 I 3.9296 6.8018 119.2420 59.7849 37.9676 176.6433 22 K 4.1644 8.2656 124.5022 56.5186 34.4625 177.2810 23 K 3.7462 8.6877 120.4395 60.6127 31.8681 178.3819 24 D 4.3170 7.9620 117.2752 57.0891 41.4676 177.8300 25 E 3.9607 8.1363 119.6105 59.1471 29.7634 178.4249 26 L 4.2006 8.0970 120.4273 58.0441 41.6572 178.7497 27 K 3.9749 8.4206 119.8926 59.5544 31.9568 178.6696 28 K 4.2441 8.2711 117.0722 58.5919 32.3310 178.9365 29 S 4.5552 8.2691 115.2430 60.9293 62.9632 176.4305 30 L 4.1784 8.2279 122.0725 57.8245 41.1646 178.6886 31 H 4.2595 8.2167 116.8069 58.6204 29.5194 177.0736 32 A 4.1376 7.5924 120.7031 54.3536 18.0460 178.7480 33 I 3.9723 7.5097 117.1832 63.4203 38.1002 177.5577 34 F 4.9521 8.2252 116.6604 58.7454 38.3661 177.5986 35 S 4.1336 7.7663 115.6902 61.1762 62.5923 176.6058 36 R 3.6178 7.3043 117.4737 58.7841 29.4424 178.0524 37 F 4.2604 7.7128 116.6406 58.6965 39.0333 175.1413 38 G 4.1951 7.2100 106.9928 44.9013 0.0000 171.5985 39 Q 4.3298 7.9823 117.4901 56.0243 29.9065 175.2293 40 I 4.1174 8.2582 123.9734 60.6014 37.9501 175.7282 41 L 4.2806 9.1810 127.7429 57.2753 42.3690 176.7565 42 D 4.5182 7.4832 114.5866 53.4012 44.6662 174.3359 43 I 4.7673 8.4479 124.6440 59.6620 39.2951 175.0517 44 L 4.6074 8.7447 128.5765 53.2519 43.0668 175.8770 45 V 4.5871 8.3941 123.7925 61.0183 34.0573 174.5383 46 S 4.8137 8.8591 120.8071 56.6423 65.3240 172.9900 47 R 4.5588 8.2720 119.7495 55.5014 30.9725 175.2801 48 S 4.3630 7.7086 111.9051 58.1252 63.6374 174.8151 49 L 3.9459 8.5876 122.8883 58.0967 41.6654 178.2396 50 K 4.3322 7.9654 115.2280 57.5286 32.6365 177.0480 51 M 4.7931 7.4400 116.3708 54.6775 32.7875 175.8330 52 R 4.3315 7.8657 115.7122 56.7065 30.7477 176.3588 53 G 3.9433 8.8259 106.8969 46.5592 0.0000 172.6237 54 Q 4.8153 7.9323 116.0862 53.6099 32.6027 174.4526 55 A 4.8000 8.5815 123.7734 50.2650 23.4222 175.3070 56 F 5.0381 8.4400 117.0265 54.5053 41.9185 173.3385 57 V 4.1067 7.9484 123.7398 61.9428 32.9211 174.4346 58 I 4.5440 8.4580 129.9933 60.0260 38.1723 175.3592 59 F 4.8329 8.5343 126.0280 56.3966 39.8326 176.4357 60 K 4.2471 8.5035 120.4554 57.7542 32.8338 176.9655 61 E 4.7975 8.0237 118.1605 53.8982 32.2903 176.9005 62 V 3.5536 8.4425 122.7394 66.0348 31.5518 177.7740 63 S 4.0666 8.1964 112.4659 61.8348 61.7395 176.4870 64 S 4.1152 7.8785 116.9382 61.3864 62.6706 176.5001 65 A 3.3647 7.4390 122.7683 54.9256 18.0163 179.7986 66 T 3.8684 7.9325 114.5962 66.9573 68.6275 176.8574 67 N 4.2864 7.6601 116.7674 56.0734 38.5202 177.4082 68 A 2.0000 7.5136 122.4493 54.2786 18.0113 179.4670 69 L 3.7303 7.4671 118.7954 58.2199 41.8949 179.4452 70 R 3.8100 7.9044 117.2802 59.2756 30.0875 178.8242 71 S 4.4000 7.7188 113.4366 61.1702 63.4464 175.7575 72 M 4.3296 7.7137 118.9773 54.1521 31.8690 175.8285 73 Q 4.0839 7.0019 122.1046 57.3164 29.4563 176.5326 74 G 3.9307 8.8940 113.5054 45.3748 0.0000 173.0712 75 F 4.0923 7.9799 123.3511 57.0427 39.5519 172.4095 76 P 4.4743 0.0000 0.0000 62.7160 30.6511 175.8099 77 F 4.6934 8.9333 126.8483 57.1050 41.1255 174.6461 78 Y 3.2937 8.3676 127.9588 59.3769 34.4739 171.2572 79 D 4.6793 8.1976 115.4231 54.5019 39.6001 174.4934 80 K 4.7828 7.6067 118.0009 53.4728 35.7526 174.1366 81 P 4.7855 0.0000 0.0000 63.3778 32.1122 175.9742 82 M 4.4793 8.8293 122.0724 54.9904 33.9720 175.4077 83 R 4.9770 8.5612 121.6464 54.9060 32.7277 174.0542 84 I 4.9229 8.4260 127.1972 59.7540 39.7010 175.1719 85 Q 4.6264 9.0853 124.6403 54.2475 33.3766 173.8843 86 Y 4.8994 8.4327 116.6831 57.3000 39.2346 175.9191 87 A 4.3239 8.7981 126.6566 52.5379 18.6128 178.8650 88 K 4.0642 9.0389 123.7050 57.1236 32.0023 175.6050 89 T 4.8389 7.4125 106.3535 59.1869 71.9575 173.1200 90 D 4.5621 8.3840 121.5057 54.3187 41.6945 177.3935 91 S 4.4627 8.3119 117.8616 57.7921 65.2383 175.3434 92 D 4.3449 8.4783 123.0989 57.8689 40.3686 179.1895 93 I 3.7091 7.6328 117.1859 63.6817 38.0530 177.6689 94 I 3.8743 7.5629 119.4580 64.1390 37.3825 177.4951 95 A 4.1713 8.4616 122.9025 55.0117 18.2964 178.1377 96 K 4.1539 8.0058 122.1778 54.6581 32.1650 177.9151 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 8.24 4.34 0.00 1.85 1.68 0.00 3.23 0.00 0.00 3.22 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 8 P 0.00 2.97 0.00 1.85 1.50 0.00 3.55 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.81 0.00 9 N 8.32 4.96 0.00 2.69 3.03 0.00 0.00 7.04 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 9.09 4.45 0.00 3.25 3.62 0.00 5.85 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.78 5.02 4.41 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 1.44 0.00 0.00 12 I 8.59 4.91 1.87 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.09 0.91 0.00 0.00 13 Y 8.75 4.32 0.00 3.11 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 14 I 7.46 4.78 1.56 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.19 0.82 0.00 0.00 15 N 8.20 5.22 0.00 2.62 2.56 0.00 0.00 6.50 7.52 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 16 N 8.84 4.41 0.00 2.87 3.05 0.00 0.00 6.90 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 7.73 4.34 0.00 1.70 1.68 0.90 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.70 4.35 0.00 2.85 2.55 0.00 0.00 7.07 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 8.67 4.21 0.00 1.98 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 2.31 2.50 0.00 20 K 7.84 4.08 0.00 2.04 1.80 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.47 1.28 7.81 21 I 6.80 3.93 1.33 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.29 -0.12 0.55 0.00 0.00 22 K 8.27 4.16 0.00 1.96 1.91 0.00 1.52 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.47 7.81 23 K 8.69 3.75 0.00 1.81 1.85 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.58 1.48 7.81 24 D 7.96 4.32 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 8.14 3.96 0.00 2.09 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 2.51 2.44 0.00 26 L 8.10 4.20 0.00 1.94 1.89 1.13 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.42 3.97 0.00 2.04 2.02 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.61 7.81 28 K 8.27 4.24 0.00 1.89 1.91 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.39 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.76 7.81 29 S 8.27 4.56 0.00 4.41 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 0.00 30 L 8.23 4.18 0.00 1.81 1.78 1.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 31 H 8.22 4.26 0.00 3.44 3.46 0.00 5.58 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.59 4.14 1.43 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 33 I 7.51 3.97 1.34 0.00 0.00 0.50 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 1.26 0.40 0.00 0.00 34 F 8.23 4.95 0.00 3.21 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 35 S 7.77 4.13 0.00 4.03 4.26 0.00 0.00 0.00 0.00 0.00 0.00 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 7.30 3.62 0.00 1.67 1.85 0.00 2.21 0.00 0.00 2.74 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.50 0.00 37 F 7.71 4.26 0.00 3.24 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 38 G 7.21 4.20 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 0.00 39 Q 7.98 4.33 0.00 2.20 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.94 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 40 I 8.26 4.12 1.68 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 0.75 0.44 0.70 0.00 0.00 41 L 9.18 4.28 0.00 1.60 1.70 0.99 0.66 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 42 D 7.48 4.52 0.00 2.65 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 0.00 0.00 0.00 0.00 43 I 8.45 4.77 1.88 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 1.18 0.69 0.89 0.00 0.00 44 L 8.74 4.61 0.00 1.78 1.69 0.96 0.39 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 45 V 8.39 4.59 2.11 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 0.80 0.00 0.00 0.95 0.00 0.00 46 S 8.86 4.81 0.00 3.87 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 47 R 8.27 4.56 0.00 1.74 1.84 0.00 3.48 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 48 S 7.71 4.36 0.00 4.05 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 49 L 8.59 3.95 0.00 1.62 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 7.97 4.33 0.00 1.80 1.89 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.54 7.81 51 M 7.44 4.79 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.65 0.00 52 R 7.87 4.33 0.00 1.95 2.09 0.00 3.18 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 53 G 8.83 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 54 Q 7.93 4.82 0.00 2.05 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.74 0.00 0.00 0.00 0.00 0.00 2.02 2.40 0.00 55 A 8.58 4.80 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.44 5.04 0.00 2.99 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 57 V 7.95 4.11 1.56 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 0.13 0.00 0.00 0.34 0.00 0.00 58 I 8.46 4.54 1.82 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 0.81 0.93 0.00 0.00 59 F 8.53 4.83 0.00 3.14 3.10 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 0.00 60 K 8.50 4.25 0.00 1.85 1.92 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.45 7.81 61 E 8.02 4.80 0.00 2.04 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 2.35 2.24 0.00 62 V 8.44 3.55 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 0.93 0.00 0.00 0.62 0.00 0.00 63 S 8.20 4.07 0.00 3.91 3.87 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 64 S 7.88 4.12 0.00 3.85 3.57 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 0.00 0.00 0.00 0.00 65 A 7.44 3.36 1.44 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 0.00 0.00 66 T 7.93 3.87 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 1.27 0.00 0.00 67 N 7.66 4.29 0.00 2.95 3.02 0.00 0.00 6.96 7.27 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 68 A 7.51 2.00 0.93 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 69 L 7.47 3.73 0.00 1.56 1.59 -0.08 0.84 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 70 R 7.90 3.81 0.00 1.87 1.95 0.00 3.20 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 1.64 1.81 0.00 71 S 7.72 4.40 0.00 4.00 4.02 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 72 M 7.71 4.33 0.00 1.83 2.08 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.30 0.00 73 Q 7.00 4.08 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.74 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 74 G 8.89 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 75 F 7.98 4.09 0.00 3.01 3.04 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 76 P 0.00 4.47 0.00 1.73 1.86 0.00 2.77 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.91 0.00 77 F 8.93 4.69 0.00 3.11 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 78 Y 8.37 3.29 0.00 3.01 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 79 D 8.20 4.68 0.00 2.84 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 80 K 7.61 4.78 0.00 1.77 1.83 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.38 7.81 81 P 0.00 4.79 0.00 2.10 2.13 0.00 3.77 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 2.01 2.01 0.00 82 M 8.83 4.48 0.00 2.09 2.29 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 2.91 2.60 0.00 83 R 8.56 4.98 0.00 1.85 1.98 0.00 3.10 0.00 0.00 3.20 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 84 I 8.43 4.92 1.80 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.77 0.78 0.00 0.00 85 Q 9.09 4.63 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.88 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 86 Y 8.43 4.90 0.00 2.90 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 87 A 8.80 4.32 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.06 0.00 1.79 1.75 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.01 7.81 89 T 7.41 4.84 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 1.21 0.00 0.00 90 D 8.38 4.56 0.00 2.70 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 91 S 8.31 4.46 0.00 3.86 3.73 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 92 D 8.48 4.34 0.00 2.72 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 93 I 7.63 3.71 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 7.56 3.87 1.97 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.94 0.76 0.00 0.00 95 A 8.46 4.17 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 96 K 8.01 4.15 0.00 1.78 1.56 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.30 1.22 7.81 * Residues marked with a * may have inaccurate shift predictions.